Perovskite type (Pb1-1.5x Lax0.5x)TiO3 (PLT) ceramics with x = 0.21, 0.22, 0.23, 0.24, 0.25 were prepared by the sol-gel method. Their structural, optical, and dielectric properties were investigated. The crystallite compounds were obtained by calcinating the mixture of PbCO3, TiO2, and La2O3 at 1000ºC for different time periods. After 4 h annealing, PLT23 sample, no secondary phases have been observed in the XRD spectrum of the PLT sample with 23% La content (PLT23). This sample appears to be notably distinguished in its structural, optical, and dielectric characteristics compared with other samples.

Monitoring coffee quality as a means of detecting and preventing economically motivated fraud is an important aspect of international commerce today. Therefore, there is a compelling need for rapid high throughput validated analytical techniques such as quantitative proton NMR spectroscopy for screening and authenticity testing. For this reason, we sought to validate an NMR spectroscopic method for routine screening of coffee for quality and authenticity. A factorial experimental design was used to investigate the influence of NMR device, extraction time and nature of coffee on the content of caffeine, 16-O-methylcafestol (OMC), kahweol, furfuryl alcohol and 5-hydroxymethylfurfural (HMF) in coffee. The method was successfully validated for specificity, selectivity, sensitivity and linearity of detector response. The proposed method produced satisfactory precision for all analytes in roasted coffee, except for kahweol in canephora (robusta) coffee. The proposed validated method may be used for routine screening of roasted coffee for quality and authenticity control, as its applicability was demonstrated during the recent OPSON VIII Europol-Interpol operation on coffee fraud control.

Although Eulerian approaches are standard in computational acoustics, they are less effective for certain classes of problems like bubble acoustics and combustion noise. A different approach for solving acoustic problems is to compute with individual particles following particle motion. In this paper, a Lagrangian approach to model sound propagation in moving fluid is presented and implemented numerically, using three meshfree methods to solve the Lagrangian acoustic perturbation equations (LAPE) in the time domain. The LAPE split the fluid dynamic equations into a set of hydrodynamic equations for the motion of fluid particles and perturbation equations for the acoustic quantities corresponding to each fluid particle. Then, three meshfree methods, the smoothed particle hydrodynamics (SPH) method, the corrective smoothed particle (CSP) method, and the generalized finite difference (GFD) method, are introduced to solve the LAPE and the linearized LAPE (LLAPE). The SPH and CSP methods are widely used meshfree methods, while the GFD method based on the Taylor series expansion can be easily extended to higher orders. Applications to modeling sound propagation in steady or unsteady fluids in motion are outlined, treating a number of different cases in one and two space dimensions. A comparison of the LAPE and the LLAPE using the three meshfree methods is also presented. The Lagrangian approach shows good agreement with exact solutions. The comparison indicates that the CSP and GFD method exhibit convergence in cases with different background flow. The GFD method is more accurate, while the CSP method can handle higher Courant numbers.

Saponite is a trioctahedral 2:1 smectite with the ideal composition MxMg3AlxSi4-xO10(OH,F)2.nH2O (M = interlayer cation). Both the success of the saponite synthesis and the determination of its applications depends on robust knowledge of the structure and composition of saponite. Among the routine characterization techniques spectroscopic methods are the most common. This review, thus, provides an overview of various spectroscopic methods to characterize natural and synthetic saponite with focus on the extensive work by one of the authors (JTK). The IR and Raman spectra of natural and synthetic saponites are discussed in detail including the assignment of the observed bands. The crystallization of saponite is discussed based on the changes in the IR and Raman spectra and a possible crystallization model is provided. Infrared emission spectroscopy has been used to study the thermal changes of saponite in-situ including the dehydration and (partial) dehydroxylation up to 750˚C. 27Al and 29Si Magic-Angle-Spinning Nuclear Magnetic Resonance Spectroscopy is discussed (as well as 11B and 71Ga for B- and Ga-Si substitution) with respect to, in particular, Al(IV)/Al(VI) and Si/Al(IV) ratios. X-ray Photoelectron Spectroscopy provides besides chemical information also some information related to the local environments of the different elements in the saponite structure as reflected by their binding energies.

Tengchongite is a uranyl molybdate uranium mineral and it was found and named by Chen 1985.No more scholars studied on tengchongite after Chen’s work, The identification of this mineral has only been confirmed by single crystal X-ray diffraction. In the paper, micro laser Raman spectroscopy and infrared spectroscopy are used to identify the spectroscopy properties of tengchongite. The studies fill in the gaps of more than 30 years in terms of the molecular spectroscopy research of tengchongite. The mineral has an ideal model of Ca(UO₂)₆(MoO₄)₂O₅•12H₂O its bands attributed to the vibrating units are clearly identified in the Raman spectrum. Symmetric stretching modes at 812 cm^-1 and 839 cm^-1 are assigned to ν1 (UO₂)²⁺ ,The ν3 antisymmetric stretching modes of (UO₂)²⁺ are observed at 896 cm^-1, Symmetric stretching modes at 419^-1 and 440 cm^-1 are assigned to ν2 (UO₂)²⁺ .Symmetric stretching modes at 919cm-1 are assigned to ν1(MoO₄)^2-,The ν3 antisymmetric stretching modes of (MoO₄)^2- are observed at 752 cm^-1, the in-plane ν2(MoO₄)^2-and the out-of-plane ν4(MoO₄)^2- bending modes are at 169 cm^-1 and 254 cm^-1. IR spectrum of tengchongite shows the major uranyl band at 858 cm^-1 and 693 cm^-1, Mo-O bonds are observed at about 985 cm^-1 and 780 cm^-1, and H₂O groups are present with a wide range peaks from 3100 cm^-1 to 3500 cm^-1 and 1647 cm^-1, and the band at 1432.4 cm^-1 is probably due to the stretching vibration hydroxyl (OH^-1), therefore, tengchongite contains may include hydroxyl and its chemical formula needs to be modified .

Meteorites represent the recoverable portions of asteroids occurring between Mars and Jupiter within the solar system that reach the surface of the Earth. Meteorites are rare extraterrestrial objects studied extensively to improve understanding of planetary evolution. In this work, calibration-free laser-induced breakdown spectroscopy (CF-LIBS) evaluates quantitative elemental and molecular analysis of the Dergaon meteorite, an H 4-5 chondrite fall sample, Assam, India. Spectral signatures of H, N, O, Na, Mg, Al, Si, P, K, Ca, Ti, Cr, Mn, Fe, Co, Ni, Ir, are measured. Along with the atomic emission, this work reports as well molecular emission from FeO molecules. The concentration of the measured elements obtained using CF-LIBS are in close agreement with earlier reports. The elements H, N and O and their concentrations are estimated using CF-LIBS for the first time. This study applies laser spectroscopy to establish presence of Ni, Cr, Co, and Ir in meteorites. Elemental analysis forms the basis for establishment of potential molecular composition of the Dergaon meteorite. Moreover, the elemental analysis approach bodes well for in-situ analyses of extraterrestrial objects including applications in planetary rover missions.

Diaminomaleonitrile (DAMN) is an electron-rich ligand which is commonly used in the synthesis of purines, amides and Schiff base ligands. In the last case lies the interest in this molecule, given its symmetry and apparent facility to form various ligands and complexes of interest in fields such as organic solar cells and catalysis among others. Nevertheless, its bisubstitution with aldehydes displays certain difficulty due to the double conjugated presence of the nitrile group (C≡N) in its structure, which significantly affect its coordination behavior by modulating the chemical reactivity of its amines. In addition to presenting a practical resume of guidelines for the preparation of different bisubstituted compounds from DAMN, this paper reviews the possibility of attaining a precise characterization by simple spectroscopic techniques. We provide an additional discussion for one of these techniques (commonly reported but often overlooked), given its potential to provide both the symmetry and E/Z configuration of the product. We hope the comprehensive evidence discussed and shown in this review will be helpful to further develop and understand the products derived of this interesting molecule in their broad applications.

The branch prediction units (BPUs) generally have security vulnerabilities, which can be used by attackers to obtain the execution status, jump directions, and jump address of conditional branches, and the existing protection methods cannot defend against these attacks. Therefore, this article proposes a hardware security protection method for conditional branches of embedded systems. This method calculates the number of updates to the branch target buffer (BTB). When it exceeds the threshold, BTB is locked to prevent attackers from analyzing the execution status of branches based on the time difference of whether BTB is updated. Moreover, the hybrid physical unclonable function (PUF) circuit is designed to provide confidentiality protection for the jump directions, jump addresses, and their indexes, preventing attackers from stealing these critical data. If these mechanism fails and attackers successfully tamper with conditional branches, this paper proposes a control flow integrity (CFI) protection mechanism based on branch labels to timely detect tampering with instruction codes, jump addresses, and jump directions. The proposed method is implemented and tested on FPGA. The experimental results show that this method can achieve fine-grained security protection for conditional branches, with about 5.4% resource overhead and less than 5.5% performance overhead.

Rapid and accurate detection of road cracks is of great significance for road health monitoring, but currently this work is mainly completed through manual site surveys. Low-altitude UAV remote sensing can obtain images with centimeter or even subcentimeter ground resolution, which provides a new efficient and economical approach for rapid crack detection. Nevertheless, crack detection networks face challenges such as edge blurring and misidentification due to the heterogeneity of road cracks and the complexity of the background. To address these issues, we propose a real-time edge reconstruction crack detection network (ERNet) which adopts multi-level information aggregation to reconstruct crack edges and improve the accuracy of segmentation between the target and background. To capture global dependencies across spatial and channel levels, we propose an efficient bilateral decomposed convolutional attention module (BDAM) that combines depth separable convolution and dilated convolution to capture global dependencies across spatial and channel levels. To enhance the accuracy of crack detection, we use a coordinate-based fusion module that integrates spatial, semantic, and edge reconstruction information. In addition, we propose an automatic measurement of crack information for extracting the crack trunk and its corresponding length and width. Experimental results demonstrate that our network achieves the best balance between accuracy and inference speed.

Abstract In order to solve the problem that it is difficult to obtain the accurate trigger signal moment when using the time difference of UAV flight acoustic signals collected by acoustic sensors arranged in advance to locate the position of UAVs when they cannot be tracked by radar and are difficult to be observed by the human eye, an acoustic source localisation method with improved empirical modal decomposition (REMD) under an adaptive frequency window is proposed. Firstly, the collected UAV flight signals are smoothed and filtered, then the robust empirical modal decomposition (REMD) is used for IMF modal decomposition and spectral analysis of the collected signals, and a panning frequency window with variable bandwidth is introduced for corresponding frequency locking and extracting the IMFs; the GWO optimisation is used and the sliding metrics are set to determine the position of the panning frequency window automatically; finally, the extracted Finally, the extracted IMF components are reconstructed according to the criterion, and the trigger signal moments in the reconstructed IMF components are resolved and recorded, and the algorithm is used to calculate the difference between the reception moments of different sensors; for the traditional sound source localisation algorithms with a small detection range, which are prone to fall into the no-solution or false-solution, i.e., unable to achieve the localisation, a weighted least-squares-based Chan-Taylor algorithm is proposed for the localisation computation, and a weighted least-squares algorithm is proposed for the localisation computation, through the Inputting the sensor delay parameter and solving the linear equation system to get the target position information; finally, this paper verifies the robustness and performance of the design method with simulated and actual signals. The results show that the maximum positioning error is no more than 5% in an area with a side length of 15m in the measurement area. With the improved accuracy of time delay estimation, the positioning simulation results meet the positioning requirements even though the positioning error is further expanded when the measurement area is further expanded.

The novelty of this study consists in: i) synthesis and characterization of electrode materials recycled from a spent car battery and doped with MnO2 and CuO by the analysis of X-ray diffraction (XRD), Infrared (IR) and Electron Paramagnetic Resonance (EPR) data and ii) the investigation of electrochemical properties of prepared materials in view of new applications as electrode materials for battery. Electron Paramagnetic Resonance (EPR) data indicate that the intensity of the resonance line corresponding to the Cu+2 ion was modified with the increase of the dopant content. The analysis of X-ray Absorption Spectroscopy (XAS) data indicates that by increasing the dopant content there is a process of ordering the oxygen atoms around the lead similar to the PbO2 theoretical model. The electrochemical performances of the recycled and manganese-copper-doped materials are optimized for applications as new anodic electrode for the car battery.

Sol-gel route represents a valuable technique to obtain functional materials, in which organic and inorganic members are closely connected. Herein four hybrid materials, containing caffeic acid entrapped in a silica matrix at 5, 10, 15 and 20 wt%, were synthesized and characterized through FT-IR and UV-Vis spectroscopy. FT-IR analysis was also performed to evaluate the ability to induce the hydroxyapatite nucleation. Despite some structural changes occurred on the phenol molecular skeleton, hybrid materials showed scavenging properties vs DPPH and ABTS+ radicals, which was dependent on the tested dose and on the caffeic acid wt%. Finally, the SiO₂/caffeic acid materials have been proposed as valuable antibacterial agents against Escherichia coli and Enterococcus faecalis.

The segmentation of abnormal regions is vital in smart manufacturing. However, the existing segmentation system for detecting sauce-packet leakage on intelligent sensors encounters an issue of imaging blurring caused by uneven illumination. This issue adversely affects segmentation performance, thereby impeding the rapid production of industrial assembly lines. To alleviate this issue, we propose the two-stage Illumination-aware Sauce-packet Leakage Segmentation (ISLS) method for intelligent sensors. The ISLS comprises two main stages: Illumination-aware region enhancement and leakage region segmentation. In the first stage, YOLO-Fastestv2 is employed to capture the Region of Interest (ROI), which reduces redundancy computations. Additionally, we propose an image enhancement to relieve the impact of uneven illumination, enhancing the texture details of ROI. In the second stage, we propose a novel feature extraction network. Specifically, we propose the Multi-scale Feature Fusion Module (MFFM) and the Sequential Self-Attention Mechanism (SSAM) to capture discriminative representations of leakage. The multi-level features are fused by MFFM with a small number of parameters, which capture leakage semantics at different scales. The SSAM realizes the enhancement of valid features and the suppression of invalid features by adaptive weighting of spatial and channel dimensions. Furthermore, we generated a self-built dataset of sauce-packets, including 606 images with various leakage areas. Comprehensive experiments demonstrate that our ISLS method shows better results than several state-of-the-art methods, with additional performance analyses deployed on intelligent sensors to affirm the effectiveness of our proposed method. Our code is available at https://github.com/LSJ5106/SauceDetect.

We propose a neural-network-based watermarking method that introduces the quantized activation function that approximates the quantization of JPEG compression. Many neural-network-based watermarking methods have been proposed. Conventional methods have acquired robustness against various attacks by introducing an attack simulation layer between the embedding network and the extraction network. The quantization process of JPEG compression was replaced by the noise addition process in the attack layer of the conventional methods. In this paper, we propose a quantized activation function that can simulate the JPEG quantization standard as it is in order to improve the robustness against the JPEG compression. Our quantized activation function consists of several hyperbolic tangent functions and is applied as an activation function for neural networks. Our network was introduced in the attack layer of ReDMark proposed by Ahmadi et al. to compare it with their method. That is, the embedding and extraction networks had the same structure. We compared the usual JPEG compressed images and the images applying the quantized activation function. The results showed that a network with quantized activation functions can approximate JPEG compression with high accuracy. We also compared the bit error rate (BER) of estimated watermarks generated by our network with those generated by ReDMark. We found that our network was able to produce estimated watermarks with lower BERs than those of ReDMark. Therefore, our network outperformed the conventional method with respect to image quality and BER.

As argued by ‘Declaration of Concrete Environment (2010)’ of Korea and ‘Declaration of Asian Concrete Environment (2011)’ of six Asian countries, concrete as a single material has lately shown extremely large impact on environmental issues such as climate change. Assessment of environmental impact from concrete material and production has considerable importance. Concrete is a major material used in the construction industry that emits a large amount of substances with environmental impacts during its life cycle. Accordingly, technologies for the reduction in and assessment of the environmental impact of concrete from the perspective of Life Cycle Assessment must be developed. At present, the studies in relation to greenhouse gas emission from concrete are being carried out globally as a countermeasure against climate change. In this study, a sustainable concrete mix design algorithm was designed using correlation analyses, and its carbon emission and cost reduction performances were assessed. Using correlation analyses, the concrete strength, w/b and s/a ratios, and CO₂ emissions were identified as major variables of concrete mix design that influenced other variables. Also, this study aims to evaluate the CO₂ emission reduction performance of the algorithm-deduced sustainable concrete mix design, and therefore, the CO₂ emissions of the sustainable concrete mix design are compared with those of the actual concrete mix design applied to the construction of the office building A in South Korea.

The accompanying mechanical behavior during the flow of ore-rock dispersion is an important factor leading to the instability and failure of the orepass in the ore storage section. It is of great significance to accurately understand the instability characteristics of the well wall in the ore section, during the ore drawing process by understanding the flow characteristics and internal mechanical transfer mechanism of ore-rock dispersion. Using the discrete element method to analyze the flow characteristics, contact compactness, stress distribution characteristics and contact force probability distribution of the ore-rock dispersion, it realizes the quantitative characterization of the damage degree of ore-rock flow, and reveals the damage mechanism of mine storage wall. The results show that: (1) The friction between ore-rock particles, between ore-rock and well wall is an important reason for the change of the macroscopic flow form of ore-rock from “one” to “V” type. (2) The compactness and stress concentration of ores are increasing with the increase of storage depth, which is shown that with the increase of storage depth, the greater the probability of well wall instability. (3) The probability distribution of contact force strength between particles decreases exponentially in the whole process of ore drawing, in which the strong chain plays a major role in the stability of the dispersion system. (4) The number of overpressure and the overpressure coefficient can be used to quantitatively characterize the wall damage degree under the action of ore-rock flow. The dynamic side pressure decreases periodically in the form of exponential fluctuations, and the dynamic load formed by the ore-rock flow mainly played a role in the lower area of the ore storage section.

With the integrated development of the Internet, wireless sensor technology, cloud computing, and mobile Internet, there has been a lot of attention given to research about and applications of the Internet of Things. A Wireless Sensor Network (WSN) is one of the important information technologies in the Internet of Things; it integrates multi-technology to detect and gather information in a network environment by mutual cooperation, using a variety of methods to process and analyze data, implement awareness, and perform tests. This paper mainly researches the localization algorithm of sensor nodes in a wireless sensor network. Firstly, a multi-granularity region partition is proposed to divide the location region. In the range-based method, the RSSI (Received Signal Strength indicator, RSSI) is used to estimate distance. The optimal RSSI value is computed by the Gaussian fitting method. Furthermore, a Voronoi diagram is characterized by the use of dividing region. Rach anchor node is regarded as the center of each region; the whole position region is divided into several regions and the sub-region of neighboring nodes is combined into triangles while the unknown node is locked in the ultimate area. Secondly, the multi-granularity regional division and Lagrange multiplier method are used to calculate the final coordinates. Because nodes are influenced by many factors in the practical application, two kinds of positioning methods are designed: the unknown node is in the positioning unit or not. When the unknown node is on the side of the positioning unit, we use the method of vector similarity. Moreover, we use the centroid algorithm to calculate the ultimate coordinates of unknown node. When the unknown node is not on the side of the positioning unit, we establish a Lagrange equation containing the constraint condition to calculate the first coordinates. Furthermore, we use the Taylor expansion formula to correct the coordinates of the unknown node. In addition, this localization method has been validated by establishing the real environment.

The development of computational acoustics allows simulation of sound generation and propagation in complex environment. In particular, meshfree methods are widely used to solve acoustics problems through arbitrarily distributed field points and approximation smoothness flexibility. As a Lagrangian meshfree method, smoothed particle hydrodynamics (SPH) method reduce the difficulty in solving problems with deformable boundaries, complex topologies, or multiphase medium. The traditional SPH method has been applied in acoustic simulation. This study presents the corrective smoothed particle method (CSPM), which is a combination of SPH kernel estimate and Taylor series expansion. The CSPM is introduced as a Lagrangian approach to improve accuracy in solving acoustic wave equations in the time domain. Moreover, a boundary treatment technique based on the hybrid meshfree and finite difference time domain (FDTD) method is proposed to represent different acoustic boundaries with particles. To model sound propagation in pipes with different boundaries, soft, rigid, and absorbing boundary conditions are built with this technique. Numerical results show that the CSPM algorithm is consistent and demonstrates convergence with exact solutions. Main computational parameters are discussed, and different boundary conditions are validated to be effective for benchmark problems in computational acoustics.

The wellness economy has developed rapidly recently, particularly in wellness tourism. Wellness tourism transforms sustainable strategy through the availability of extended multi-actor engagement in service innovation to further the tourism experience. Therefore, when operating a wellness tourism destination, it is necessary to encourage multi-actor engagement in service innovation to achieve sustainable development. This paper introduces a mixed research method with the SWOT-AHP-QSPM, as it qualitatively analyzes the advantages, disadvantages, opportunities, and threats, constructs an evaluation index system, conducts quantitative analysis using the analytic hierarchy process, determines the index weight and weighted score, and calculate the sustainable development strategy, which is appropriate for wellness development of Chongqing Tea Mountain and Bamboo Forest National Forest Park. Purposive field surveys and personal interviews were conducted in Chongqing forest tourism destinations, involving 356 effective respondents. The research reveals that multi-actor engagement significantly enhances sustainable development. These findings bridge service innovation knowledge gaps and provide valuable insights for forest tourism destination management and sustainable policy strategies to elevate multi-actor engagement in forest sites.

By repeated unloading and loading of the excavation dynamic and static loads, repeated train dynamic and static loads of multi-factors, the underpass tunnel, cross tunnel engineering influence area rock layer, the existing tunnel structure of the three constitutes a multifaceted structure, multi-factor interaction system. Existing tunnels into the prediction theory model of the new tunnel excavation process of dynamic and static loads, dynamic and static loads of existing tunnels are mostly analyzed individually, the results of synergistic analysis needs to be improved. Based on the theory of the current layer method, the paper comprehensively considers the stiffness of the existing tunnel, the stiffness of the new tunnel, the excavation method load and the existing tunnel load, coupled with Peck's empirical formula, the theoretical model of deformation prediction for excavation of a two-lane highway tunnel under the tunnel through the existing railroad is proposed, and verified and optimized by numerical calculations and monitoring data, which proves the applicability and reliability of the theoretical model in the similar strata and the project promotion.

: Dacarbazine, DAC, 5-(3,3-dimethyltriazeno)imidazol-4-carboxamideis is an imidazole-carboxamide derivative, that is structurally related to purines. DAC belongs to the triazene compounds, which are a group of alkylating agents with antitumour and mutagenic properties. DAC is a non-cell cycle specific drug, active on all phases of cellular cycle. In the frame of this work the 3d-metal complexes (cobalt and copper) with dacarbazine were synthesized. Their spectroscopic properties by the use of FT-IR, FT-Raman and 1HNMR were studied. The structures of dacarbazine and its complexes with copper(II) and cobalt(II) were calculated using DFT methods. The effect of metals on the electronic charge distribution of dacarbazine was discussed on the basis of calculated NBO atomic charges. The reactivity of metal complexes in relation to ligand alone was estimated on the basis of calculated energy of HOMO and LUMO orbitals. The aromaticity of imidazole ring in dacarbazine and the complexes was compared (on the basis of calculated geometric indices of aromaticity). Thermal stability of the investigated 3d-metal complexes with dacarbazine and the products of their thermal decomposition were analyzed.

Positioning based on wireless signals such as mobile communication networks has become an important means to provide high-precision location services in environments where satellite signals are blocked. In complex environments such as indoor and underground, wireless signal propagation is obstructed and non-line-of-sight (NLOS) phenomena appears due to serious occlusion and reflection. The time delay caused by NLOS effects has little impact on communication system but can significantly increase positioning errors in positioning systems. Therefore, effective suppression of NLOS errors is crucial to improving 5G positioning accuracy. To address the insufficient feature extraction of existing NLOS error suppression methods, the neglect of residual NLOS measurement errors, and poor stability of position estimation results, this paper innovatively proposes a NLOS mitigation and location estimation method for 5G positioning terminals. Simulation and experimental test results demonstrate that the proposed method outperforms the comparative methods both theoretically and practically, achieving an average positioning accuracy of 1.85 meters in complex indoor NLOS environments. The method proposed in this paper provides a new strategy for NLOS error suppression in indoor 5G positioning, which can significantly contribute to high-precision location services based on commercial 5G networks.

One of the industries with the fastest rate of growth is healthcare, and this industry's enormous data requires extensive cloud storage. The cloud may offer some protection, but there is no assurance that data owners can rely on it for refuge and privacy amenities. Therefore, it is essential to offer security and privacy protection. Increased customer satisfaction with security and privacy preservation is crucial since healthcare big data and its sources are stored in the cloud and contain increasingly private and sensitive information. However, maintaining privacy and security in an untrusted green cloud environment is difficult, thus the data owner should have complete data control. A new work SecPri-BGMPOP(security and privacy of Boost graph Convolutional Network -Pinpointing-Optimization Performance) is suggested that can offer a solution that involves several different steps in order to handle the numerous problems relating to security and protecting privacy. Initially Boost Graph Convolutional Network Clustering (BGCNC) algorithm, which reduces computational complexity in terms of time and memory measurements, is first applied to the input dataset to begin the clustering process. Second, enlarge by employing a piece of the magnifying bit string to generate a safe key, pinpointing based encryption avoids amplify leakage even if a rival or attacker decrypts the key or asymmetric encryption. Finally, to determine the accuracy of the method, an optimal key was created using a meta-heuristic algorithmic framework called Hybrid fragment horde bland lobo Optimization (HFHBLO). Our proposed method currently kept in a cloud environment, allowing analytics users to utilize it without risking their privacy or security.

As the natural resources are getting exhausted, the concept of sustainable development of region has received increasing attentions, especially for resource-dependent cities. In this paper an innovative method that emergy analysis and IPAT (Human Impact Population Affluence Technology) model were combined in order to analyze the quantitative relationship of economic growth and energy consumption and further to evaluate its overall sustainability level. Taiyuan, a traditional, resource-dependent city in China, is selected as the case study region. The main results show that total emergy of Taiyuan increased from 9.023× 1023 sej in 2007 to 9.116× 1023sej in 2014, with 38% reduction on non-renewable emergy and 125% growth on imported emergy. Regional emergy money ratio (RMB) was reduced by 48% from 5.31× 1013sej/$ in 2007 to 2.74× 1013sej/$ in 2014, indicating that the increasing speed of consuming resources and energy was faster than the increase of GDP, and that Taiyuan’s money purchasing power declined. The lower emergy sustainability index (ESI) indicates that Taiyuan was explored and produced large quantities of mineral resources, which puts more stress on the environment as a consequence, and that this is not sustainable in the long run. The IPAT analysis demonstrates that Taiyuan sticks to the efforts of energy conservation and environmental protection, in order to promote regional sustainable development, it is necessary to take an integrated effort. Policy insights suggest that resourceful regions should improve include energy and resource efficiency, optimizing energy and resourceful structure.

Silicates are among the most abundant and important inorganic materials, not only in the Earth’s crust but also in the interstellar medium in the form of micro-/nano-particles or embedded in the matrices of comets, meteorites and other asteroidal bodies. Although the crystalline phases of silicates are indeed present in Nature, amorphous forms are also highly abundant. Here we report a theoretical investigation of the structural, dielectric and vibrational properties of the amorphous bulk for forsterite (Mg₂SiO₄) as a silicate test case by a combined approach of classical molecular dynamics (MD) simulations for structure evolution, and periodic quantum mechanical DFT calculations for electronic structure analysis. Using classical MD based on an empirical partial charge rigid ionic model within a melt-quenching scheme at different temperatures performed with the GULP 4.0 code amorphous bulk structures for Mg₂SiO₄ were generated using as initial guess the crystalline phase. This has been done for bulks with three different unit cell sizes adopting a super-cell approach; i.e., 1×1×2, 2×1×2 and 2×2×2. The radial distribution functions indicated a good degree of amorphisation of the structures. Periodic B3LYP-geometry optimizations performed with the CRYSTAL14 code on the generated amorphous systems were used to analyze their structure, to calculate their high frequency dielectric constants (ε_∞), and to simulate the IR, Raman and reflectance spectra, which were compared with the experimental and theoretical crystalline Mg₂SiO₄. The most significant changes of the physico-chemical properties of the amorphous systems compared to the crystalline ones are presented and discussed (e.g., larger deviations in the bond distances and angles, broadening of the IR bands, etc.), which are consistent with their disordered nature. It is also shown that by increasing the unit cell size the bulk structures present larger degree of amorphisation.

Mass hauling operations play central roles in construction projects. They typically use many haulers that consume large amounts of energy and emit significant quantities of CO₂. However, practical methods for estimating the energy consumption and CO₂ emissions of such operations during project planning are lacking. This paper presents a detailed model for estimating the energy consumption and CO₂ emissions of mass haulers that integrates the mass hauling plan with a set of predictive equations. The mass hauling plan is generated using a planning program such as DynaRoad in conjunction with data on the productivity of selected haulers and the amount of material to be hauled during cutting, filling, borrowing, and disposal operations. This plan is then used as input for estimating the energy consumption and CO₂ emissions of the selected hauling fleet. The proposed model will help planners to assess the energy and environmental performance of mass hauling plans, and to select hauler and fleet configurations that will minimize these quantities. The model was applied in a case study, demonstrating that it can reliably predict energy consumption, CO₂ emissions, and hauler productivity as functions of the hauling distance for individual haulers and entire hauling fleets.

The Internet of Things (IoT) is a concept based on the integration of various devices and methods of communication to exchange information in order to contribute to the improvement of everyday life, business and environment. This paper focuses on the establishment of a modern Internet of Things platform to ensure secure collection, processing and storage of data, under unexpected events. This platform establishes reliable connectivity which enhance system uptime; the key to success when implementing an IoT strategy. For this purpose, we proposed a hybrid approach combining different connectivity technologies to ensure the availability and smooth operation of the system and the prevention of data loss in unforeseen cases.

In recent decades, with the ever-growing scale of video data, near-duplicate videos continue to emerge. Data quality issue caused by near-duplicate videos is becoming more and more prominent, which has affected the application of normal videos. Although current studies on near-duplicate video detection can be helpful to uncover data quality issues for videos, they still lack a process of automatic merging for the video data represented by high-dimensional features, which are difficult to automatically clean the near-duplicate videos to improve data quality for video datasets. At present, there are few studies on near-duplicate video data cleaning. The existing studies have the sensitive problems of video data orderliness and clustering initial center under a condition that prior distribution is unknown, which seriously affect the accuracy of near-duplicate video data cleaning. To address the above issues, an automatic near-duplicate video data cleaning method based on a consistent feature hash ring is proposed in this paper. First, a residual network with convolutional block attention modules, a long short-term memory deep network, and an attention model are integrated to construct an RCLA deep network with the multi-headed attention mechanism to extract spatiotemporal features of video data. Then, a consistent feature hash ring is constructed, which can effectively alleviate the sensitivity of video data orderliness while providing a condition of near-duplicate video merging. To reduce the sensitivity of the initial cluster centers to results of near-duplicate video cleansing, an optimized feature distance-means clustering algorithm is constructed by utilizing a mountain peak function on a consistent feature hash ring, which can implement automatic cleaning of near-duplicate video data. Finally, experiments are conducted based on a commonly used dataset named CC_WEB_VIDEO and a coal mining video dataset. Compared with some existing works, simulation results demonstrate that the performance of the proposed method.

Pedestrian Dead Reckoning (PDR) is a promising algorithm for indoor positioning. However, the accuracy of PDR degrades due to the accumulated error, especially in multi-floor buildings. This paper introduces a three-dimensional (3D) positioning method based on terrain feature matching to reduce the influence of accumulated error in multi-floor scene. The proposed method involves two steps: motion pattern recognition and position matching calibration. The motion pattern recognition aims to detect different motion states, i.e., taking the stairs or horizontal walking, from the streaming data. Then, stair entrances and corridor corners are matched with transition points of motion states and pedestrian turning points, respectively. After matching, calibration is performed to eliminate the accumulated errors. By carrying out experiments on a two-floor closed-loop path with a walking distance about 145 m, it is shown that this method can effectively reduce the accumulated error of PDR , achieving accurate 3D positioning . The average error is reduced from 6.60 m to 1.83 m.

We conducted a comparative study on the development of two synthetic methods. The solvent-free synthesis is a green chemistry method developed in a bid to ameliorate environmental adverse effects of the conventional solvent-based synthesis. The synthesis of novel dichloro and polymethoxy p-nitrophenylhydrazones through solvent free technique gave moderate to high yields which were however lower than those of the solvent-based method. The established solvent-free approach has several benefits, including universality and simplicity of the approach, catalyst-free conditions, non-use of an organic solvent, quick reaction time, fast and efficient workup, and un-solvated pure products in moderate to high yields.

Objective: The aim of this study was to optimize the fermentation process of Radix Ranunculi ternate via microbial fermentation and analyze the changes in the contents of the main components, the antioxidant and hypoglycemic capacities of the extract before and after fermentation. Methods: The solid-state fermentation process was optimized using single-factor tests and the response surface method, with the yield of the alcohol extract of R. ternate as an evaluation index. Results: The best fermentation process was optimized using solid-state endophytic fungus fermentation technology as follows: strain addition ratio of Chaetomium globosum/Fusarium equiseti =1:1, fermentation for 5 d, sieve size of 40 mesh, liquid/material ratio of 0.8:1 mL·g−1, fermentation temperature of 31 °C, and inoculation amount of 7.5%. Under the optimized conditions, the contents of the water-soluble extract and total polysaccharides decreased by 12.71% and 12.95%, respectively, in the fermentation, The contents of ethanol-soluble-extract, flavonoids, saponins, polyphenols, organic acids, and total amino acids of fermented R. ternate increased by 19.77%, 57.14%, 79.67%, 14.29%, 17.63% and 3.82%, respectively, and the scavenging rate for DPPH, ABTS+, ·OH free radicals and inhibitory rate for α-amylase also increased by 19.02%, 14.17%, 7.53% and 34.54%, respectively, compared with unfermented R. ternate. Conclusions: Solid-state fermentation opens new avenues for the development and application of R. ternate as natural antioxidant and hypoglycemic food.

Fire detection from satellite sensors relies on an accurate estimation of the unperturbed state of a target pixel, from which an anomaly can be isolated. Methods for estimating the radiation budget of a pixel without fire depend upon training data derived from the location's recent history of brightness temperature variation over the diurnal cycle, which can be vulnerable to cloud contamination and the effects of weather. This study proposes a new method that utilises the common solar budget found at a given latitude in conjunction with an area's local solar time to aggregate a broad-area training dataset, which can be used to model the expected diurnal temperature cycle of a location. This training data is then used in a temperature fitting process with the measured brightness temperatures in a pixel, and compared to pixel-derived training data and contextual methods of background temperature determination. Results of this study show similar accuracy between clear-sky medium wave infrared upwelling radiation and the diurnal temperature cycle estimation compared to previous methods, with demonstrable improvements in processing time and training data availability. This method can be used in conjunction with brightness temperature thresholds to provide a baseline for upwelling radiation, from which positive thermal anomalies such as fire can be isolated.

This study proposes an innovative pharmacovigilance approach, VIGI-4, leveraging ChatGPT Teams Pro version. Our method involves aggregating data from all phase 4 studies published in February 2024 to identify adverse reactions. These results are categorized by disease state alphabetically, demonstrating the method's capacity to generate structured and easily navigable outputs. The results section is tailored to exemplify the valuable, actionable insights attainable through our workflow. This research emphasizes the game-changing potential of integrating advanced technologies such as ChatGPT into pharmacovigilance, signaling a new era in safeguarding drug safety.

In this work, the parameters of plasma (electron temperature (T_e), electron density n_e, plasma frequency (f_p) , Debye length (λ_D) and Debye number (N_D)) have been studied by using the spectrometer that collect the spectrum of Laser produce Cadmium telluride plasma at different energies. The results of electron temperature for CdTe range 0.93-1.18 eV also the electron density 5 × 10¹⁰ – 3.8 × 10¹¹ cm^-3 have been measured under vacuum reaching 2.5 × 10^-2 mbar .Optical properties of CdTe were determined through the optical transmission method using ultraviolet visible spectrophotometer within the range 190 – 1100 nm.

Driving factors of smart city construction are exploratively studied by grounded theory method based on text sources from journal papers in SCI and CSSCI databases. Initial scale of driving factors about smart city construction is obtained on the basis of above analyses. This paper modifies measuring items of the initial scale with a small sample pretest and reliability test, then forms final items by exploratory factor analysis. According to the above scale, questionnaires are designed to obtain empirical data, and confirmatory factor analysis is used to verify further validity and reliability of the scale. The results show that driving factors of smart city construction include three main dimensions: problem-oriented factors, business- or technology-driven factors and endogenous development requirements.

The River Habitat Survey (RHS) is a method for assessing the conditions of a river channel and valley, taking into account hydromorphological factors, and assessing the degree of naturalness or the degree of anthropogenic alteration within the channel and valley based on physical and landscape data. The hypothesis tested in this study was that the quality of river habitats demonstrated using the RHS should translate into the composition of their fauna. We investigated aquatic bugs (Heteroptera Aquatica), which are a group with considerable dispersal abilities and, at the same time, composed of stenotopic species associated with a particular environment as well as of eurytopic elements inhabiting a wide range of environments (REF). The research was carried out in a small lowland river, the River Krąpiel (north-western Poland) at 6 sites with 43 sub-sites included. Our analyses suggest the RHS method can predict the composition and quality of the aquatic bug fauna inhabiting a given river. Indicators of river habitat quality (HQA and RHQ) will be associated with different habitat types depending on the geographic location and type of river, once indicating habitats associated with the mainstream river and mineral substrate (mountain and small lowland rivers) and at other times habitats covered by vegetation with relatively slow water flow (large and medium lowland rivers). Therefore, RHS may be a good method for estimating the water bug fauna, linking it to the size and character of the river.

There are rich proper noun derivative semantic relationships in geographic entity vector data. The identification of traditional proper noun derivative semantic relationships usually requires toponym researchers to examine the source of derived toponyms by consulting a large number of toponym documents. This method cannot adapt to the mining of proper noun derivative semantic relationships for large-scale geographical entity. In this regard, this paper proposes a method of identifying the proper noun derivative semantic relationships for geographical entity by combining prompt learning and XGBoost model. This method transforms the extraction problem of proper noun derivative semantic relationships into a binary classification problem by analyzing the characteristics of the derivation relationship of toponyms in the form of toponyms and the spatial and temporal distribution of geography. Firstly, prompt learning and gaussian mixture model are used to extract and cluster the derivation words of toponyms, so as to realize the recognition of derived toponyms collections. Then, enumerate the possible proper noun derivations in the toponym set, and then the XGBoost model is used to identify the semantic relations derived from the proper noun of geographical entities. In the experiment, the recognition method of proper noun derivative semantic relationships based on prompt learning and XGBoost proposed in this paper has achieved good relationship recognition effect in the experiment. This method has certain practical value in the fields of toponym management and toponym translation.

The 1,2,3-triazole derivative 2-(4-chlorophenyl)-5-(pyrrolidin-1-yl)-2H-1,2,3-triazole-4-carboxylic acid with potential anticancer activity was used as a ligand in complex formation with the lan-thanum(III) ion. The molecular structure and vibrational spectra of the complex were optimized at three DFT levels and the scaled IR and Raman spectra were compared to the experimental ones. Several scaling procedures were used. Through a detailed analysis, the structure predicted for the newly synthetized La(III) complex was confirmed by the good accordance of the calculat-ed-experimental IR and Raman spectra. The best DFT method appears to be M06-2X with the Lanl2mb basis set, followed closely by Lanl2dz. The effect of the lanthanide atom on the molecular structure and atomic charge distribution of the triazole ring was evaluated. Potential free radical scavenging activity of both, ligand and complex, was investigated in several radical-generating model systems. Potential mechanisms of antioxidant action (hydrogen atom transfer – HAT and single electron transfer - SET) were elucidated.

By using Modified simple equation method, we study the Cahn Allen equation which arises in many scientific applications such as mathematical biology, quantum mechanics and plasma physics. As a result, the existence of solitary wave solutions of the Cahn Allen equation is obtained. Exact explicit solutions interms of hyperbolic solutions of the associated Cahn Allen equation are characterized with some free parameters. Finally, the variety of structure and graphical representation make the dynamics of the equations visible and provides the mathematical foundation in mathematical biology, quantum mechanics and plasma physics.

Recent developments in mid-infrared (MIR) spectroscopic ellipsometry enabled by quantum cascade lasers (QCLs) resulted in a drastic improvement in signal-to-noise ratio compared to conventional thermal emitter based instrumentation. Thus, it was possible to reduce the acquisition time for high-resolution broadband ellipsometric spectra from multiple hours to less than 1 second. This opens up new possibilities for real-time in-situ ellipsometry in polymer processing. To highlight these evolving capabilities we demonstrate the benefits of a QCL based MIR ellipsometer by investigating single and multilayered polymer films. The molecular structure and reorientation of a 2.5m thin biaxially oriented polyethylene terephtalate film is monitored during a stretching process lasting 24.5 s to illustrate the perspective of ellipsometric measurements in dynamic processes. In addition, a polyethylene/ethylene vinyl alcohol/polyethylene multilayer film is investigated at continuously varying angle of incidence ( 0∘ – 50∘) in 17.2 s, highlighting an unprecedented sample throughput for the technique of varying angle spectroscopic ellipsometry in the MIR spectral range. The obtained results underline the superior spectral and temporal resolution of QCL ellipsometry and qualify this technique as suitable method for advanced in-situ monitoring in polymer processing.

A co-curing resin system consisting of 9368 epoxy resin for prepreg and 6808 epoxy resin for resin transfer molding (RTM) was developed. A corresponding preparation method of novel polymer composite bolted T-joint with internal skeleton and external skin was proposed based on prepreg-RTM co-curing process, and novel T-joints were fabricated. A series of conventional configuration T-joints based on RTM process and T-joints made of 2A12 aluminum alloy were prepared simultaneously. Bending performances were studied on these T-joints experimentally. The results indicate that 9368 epoxy resin and 6808 epoxy resin exhibit good compatibility in rheological and thermophysical properties. The novel T-joints prepared with prepreg-RTM co-curing process show no obvious fiber local winding or resin-rich regions inside, and the interface quality between internal skeleton and external skin is excellent. The main failure modes of the novel T-joint under bending load include separation of skin and skeleton and fracture along the thickness on the base panel; the skeleton carries the main bending load, but there is still load transfer between external skin and internal skeleton through their interface. The internal damages of the novel T-joint are highly consistent with surface damages observed visually, facilitating the detection and timely discovery of damages. The initial stiffness, damage initiation load, and ultimate load of the novel T-joint are 1.65 times, 5.89 times, and 3.45 times that of conventional T-joint, respectively. When considering the influence of density, the relative initial stiffness and relative ultimate load of the novel T-joint are 1.44 times and 2.07 times that of aluminum alloy T-joint, respectively.

Water networks are critical infrastructure components, ensuring the continuous supply of high-quality drinking water to consumers. To secure such water supply, regular maintenance, including the replacement of deteriorating pipelines, is essential. In this study, a methodology has been developed for determining optimal pipeline replacement solutions in water supply systems at water utilities with limited data availability. Hydraulic analysis has been conducted on the segment of 25 km of the water supply network using the free software EPANET. Applying water network optimization, eight pipeline replacement projects according to 13 pre-defined criteria have been identified and evaluated. The paper outlines the methods for evaluating the criteria, including defining specific quantitative limits. The Analytical Hierarchical Process (AHP) method was used in the paper to determine the weights of the criteria. The reason for applying this method refers to problems that involve a set of criteria with a mixed structure, including both quantitative and qualitative aspects. Also, the paper describes the steps of the multi-criteria optimization method VIKOR, used to select the optimal project. This paper, considered as case studie, describes a method, i.e. application of a new principles and an innovative way to solve a problem for developing countries.

This paper proposed three-dimensional numerical simulation method by coupling of electrostatic and fluid fields to evaluating the performance of electrical sensor in the concentration measurement of gas/solid two-phase flow. Compared with the static numerical simulation, this real-time dynamic 3-D simulation method can research on a designed capacitance sensor combining the dynamic characteristics of the two-phase flows for concentration measurement. Several fluid-electrostatic models of transmission pipes with different sensor structures are built. Under different test positions and different particle concentrations, the flow characteristics and the corresponding electric signals can be obtained, and the correlation coefficient between the concentration values and the capacitance values are used for performance evaluation of the sensors. The effects of flow regimes on concentration measurement are also been investigated in this paper. To validate the results of simulation, an experimental platform with horizontal straight pipe for phase volume concentration measurement of solid/air two-phase flow is built, and the experimental results agree well with simulation conclusions. The simulation and test results show that the coupling models can give constructive reference opinions for the sensor design and collection of installation position in different transmission pipelines, which are very important for the practical process of pneumatic conveying system.

Cocrystallizaiton could improve most physicochemical properties of specific active pharmaceutical ingredients, which has great potential in pharmaceutical development. In this study, the cocrystal of nitrofurantoin and 4-aminobenzoic acid was prepared with solid-state (solvent-free or green-chemistry) grinding approach, and the above cocrystal has been characterized by Raman and terahertz vibrational spectroscopic techniques. Spectral results show that the vibrational modes of the cocrystal within the whole spectral region are different from those of the corresponding parent materials. The dynamic process of such pharmaceutical cocrystal formation has also been monitored directly with Raman spectra. These results offer us unique means for characterizing the cocrystal conformation from molecule-level and also provide us rich information about the reaction dynamic of cocrystal formation within pharmaceutical fields.

The variation of the cationic composition in I2-II-IV-VI4 semiconductor compounds is an effective tool for altering their properties in a controlled manner. In particular, a partial substitution of Cu for Ag in kesterite Cu2ZnSnS4 was proposed to suppress Cu-Zn antisite defects and the improve photovoltaic performance. However, the efficiency of this approach may substantially depend on the fabrication route. Here, we report on the synthesis of (Cu,Ag)-Zn-Sn-S (CAZTS) and Ag-Zn-Sn-S (AZTS) nanocrystals (NCs) by means of "green" chemistry in aqueous solution and their detailed characterization by Raman spectroscopy and by several complementary techniques. Through a systematic variation of the nominal composition and quantification of the constituent elements in CAZTS and AZTS NCs by XPS, we identified the vibrational Raman and IR fingerprints of both the main AZTS phase and secondary phases of Ag-Zn-S and Ag-Sn-S compounds (for the first time). The formation of the secondary phases of Ag-S and Ag-Zn-S cannot be avoided entirely for this type of synthesis. The Ag-Zn-S phase, having its bandgap in near infrared range, is the reason of the non-monotonous dependence of the absorption edge of CAZTS NCs on the Ag content, with a trend to redshift even below the bandgaps of bulk AZTS and CZTS.

The presence of antibiotic residues in honey has recently become a growing public health concern due to the overuse of these products in beekeeping and their transfer to the food industry. The aim of this study was to develop and validate a simple, selective and sensitive method for the simultaneous identification and quantification of residues of twenty-two sulfonamides, trimethoprim and dapsone in honey using a rapid and reliable liquid chromatography–tandem mass spectrometry (LC–MS/MS) method. The developed method showed good linearity, specificity, precision (repeatability and intra-laboratory reproducibility) and recovery. The decision limit (CCalpha) ranged between 2.16-22.12 µg/kg for CCα, while the detection capability (CCbeta) was between 2.16- 2.67-27.36 µg/kg. The method proved to be rapid, reliable and effective for the determination of sulfonamides, trimethoprim and dapsone from honey samples. The average recoveries were estimated to be between 70 and 106%. The relative standard deviations (RSDs) were between 6-18%. In practice, the method is essential to check the honey sold on the market and ensure its safety before it reaches the consumer.

Based on the Flashing Ratchet Potential (FRP) and Electro-Spectroscopy detection techniques, a new detection method was experimentally examined. This method allows the detection of sub-micro particles in the human exhaled air such as viral particles and other biological agents. The detection signal created by this method is carried out by electron current buildup forming an Electric Current-Spectrum (ECS) distinguishing the contents of the exhaled air samples. The detection method was developed based on FRP and a beam of free charges passing through the electrodes of the FRP. The ECS is characterized by low-energy free charges interacting with the medium through which they pass, where numerous free charges are scattered (delayed) as a result of these interactions. The resulting ECS is characterized by FRP's capacity to drift back the delayed free charges to their original starting positions. By comparing the ECS of two exhale air samples, this new technology can be utilized to identify the presence of viral and microorganisms’ particles. The time-escalating ECS difference quickly indicates the presence of such particles. Moreover, the FRP's optimal operating settings was experimentally defined, in addition to the experimental evaluation of its functionality to confirm the FRP's promising sensing capabilities, which were statistically examined several times to ensure the reproducibility of the results.

The development of novel coherent and brilliant sources, such as soft X-ray Free Electron Laser (FEL) and High Harmonic Generation (HHG) enables new ultrafast analysis of the electronic and structural dynamics of a wide variety of materials. Soft X-ray FEL delivers high brilliance beams with short pulse duration, high spatial coherence and photon energy tunability. In com-parison with FELs, HHG X-ray sources are characterized by a wide spectral bandwidth and few to sub-femtosecond pulses. The approach will lead to time-resolved reconstruction of molecular dynamics, shedding light on different photochemical pathways. The high peak brilliance of soft X-ray FELs facilitates investigations in nonlinear regime, while the broader spectral bandwidth of the HHG sources may provide the simultaneous probing of multiple components. Significant technical breakthroughs in these novel sources are under way to improve brilliance, pulse dura-tion, and to control spectral bandwidth, spot size, and energy resolution. Therefore, in the next few years, the new generation of soft X-ray sources combined with novel experimental tech-niques, new detectors, and computing capabilities will allow the study of several extremely-fast dynamics, such as vibronic dynamics. In the present review, we shortly discuss recent devel-opments in experiments, performed with soft X-ray FELs and HHG sources, operating near car-bon K-absorption edge, being a key atomic component in biosystems and soft materials. Differ-ent spectroscopy methods such as time-resolved pump-probe techniques, nonlinear spectrosco-pies and photoelectron spectroscopy studies have been addressed in an attempt of a better un-derstanding of fundamental physico-chemical processes

.Functionalization of multi-walled carbon nanotubes (MWNTs) surface with sulfonated poly(ether ether ketone) SPEEK chains using hexane diamine (HAD) as the interlinking molecule was investigated. MWNTs were first oxidized by nitric acid to generate carboxyl groups on their surface. Grafting of SPEEK chains on the MWNTs surface was achieved using hexane diamine as a cross-linking molecule. The attachment took place after the reaction of amine groups with carboxyl groups of oxidized MWNTs and sulfonate groups of SPEEK as confirmed by infrared (FTIR) analysis. Scanning electron microscopy (SEM) showed that MWNTs were packed into a dense and compact structure. Transmission electron microscopy (TEM) showed that the nanotubes were wrapped by polymer chains and arranged in a bundle like structure. These observations reveal that some of MWNTs were interconnected by SPEEK chains.

Lanthanide-doped upconversion nanoparticles (UCNPs) are promising bioimaging nanoprobes due to their excellent photostability. As one of the most commonly-used lanthanide activators, Tm3+ ions have perfect ladder-type electron configuration and can be directly excited by bio-friendly near-infrared-II (NIR-II) wavelengths. Here, the emission characteristics of Tm3+-doped nanoparticles under laser excitations of different near-infrared-II wavelengths were systematically investigated. The 1064 nm, 1150 nm and 1208 nm lasers are proposed to be three excitation strategies with different response spectra of Tm3+ ions. Particularly we found that 1150 nm laser excitation enables intense three-photon 475 nm emission, which is nearly 100 times stronger than that excited by 1064 nm excitation. We further optimized the luminescence brightness after investigating the luminescence quenching mechanism of bare NaYF4:Tm (1.75%) core. After growing inert shell, ten-fold increase of emission intensity was achieved. Combining the advantages of NIR-II wavelength and the higher-order nonlinear excitation, a promising facile excitation strategy was developed for the application of thulium-doped upconversion nanoparticles in single nanoparticle imaging and cancer cell microscopic imaging.

Acute and chronic graft versus host disease (a/cGVHD) are major complications of allogeneic stem cell transplantation and a frequent cause of non relapse-mortality. The treatment of a/cGVHD consists of steroid administration at full dose. In the case of aGVHD, around 60 % of patients with grade III/IV fails to respond (steroid-resistant, SR), requiring a second line therapy. Extracorporeal photopheresis (ECP) represents a good option for second line treatment, leading to multiorgan response in several patients. Here, we have evaluated the performances of a cytofluorimetric quality control of the first ECP procedure in 29 patients with severe SR aGVHD who underwent ECP. The quality control represents a check control of in vitro cell apoptosis/death induction in collected and irradiated CD3+ cells by ECP. Our analysis shows that in more than 70 % quality controls a relevant apoptotosis/death of CD3+ cells was observed after cell irradiation, as compared to non-irradiated controls. Albeit observed in a small patients’ series, the occurrence of relevant in vitro effect after ECP relates to less procedures and/or to a better survival on ECP. Age, disease, gender, aGVHD grade and time from transplant to the first ECP had not impact on ECP efficacy in this patients’ series.

Robotic systems have been widely used in various industries, so the security of communication between robots and their components has become an issue that needs to be focused on. As a framework for developing robotic systems, the security of ROS2 can directly affect the security of the upper-level robotic systems. Therefore, it is a worthwhile research topic to detect and analyze the security of ROS2. In this paper, we adopt a formal approach to analyze the security of the communication mechanism of ROS2. First, we use a state transition system to model the potential vulnerabilities of ROS2 based on the ROS2 communication mechanism and the basic process of penetration testing. Secondly, we introduce the CIA model on the basis of the established vulnerability model and use LTL to define its security properties. Then, we design and implement a vulnerability detection tool for ROS2 applications based on the vulnerability model and security properties. Finally, we experimentally test some ROS2-based applications, and the results show that ROS2 has vulnerabilities without additional protection safeguards.

Cotton cationization with low molecular-weight/polymeric cationic modifiers allows the effective dyeing of fabrics with reactive dyes under salt-free and more environmentally-friendly conditions. The current work focuses on the spectroscopic study of the intermolecular interactions, which dictate the physicochemical process associated with dyeing. Water-soluble copolymers of vinyl benzyl chloride and vinyl benzyl triethylammonium chloride (VBCTEAM) have been used as cellulose cationic modifiers. Dye uptake was assessed using Remazol Brilliant Blue and Novacron Ruby dyes. The study involves ATR-FTIR, UV-Vis, fluorescence and XPS spectroscopy. The results of binary polymer-rich dye-polymer aqueous solutions or dye-polymer precipitates at stoichiometric charge-ratio revealed that the sulfonate/sulfate anions of the dyes interact with the cationic VBCTEAM units of the polymer via electrostatic interactions. Moreover, the comparative study of unmodified/modified dyed cotton indicates that the dye reactive sites remain unaffected for cationized cotton, suggesting that electrostatic interactions are the main driving force for the high dyeing performance observed.

Buckling defect will appear on the outer surface of the deformed ring during constrained ring rolling (CRR) of aluminum alloy thin wall conical ring with inner high ribs (AATWCRIHR), if the geometrical dimension of the ribs doesn't match the wall thickness. To avoid the buckling defect, a quantitative method for characterizing the degree of the buckling defect is proposed using the area of buckling profile. Then an orthogonal experimental scheme was designed taking the width of the middle rib, thickness of wall, and height of the middle rib as design variables and defining the area of buckling profile as optimization objective. Subsequently, a quadratic polynomial response surface model was established by combining the optimization algorithm with the finite element method (FEM), and the geometrical dimension of the middle ribs of the deformed AATWCRIHR is optimized. Also the optimal parameter combination to minimize the area of buckling profile is obtained and verified using FE simulation. Results show that the AATWCRIHR after optimization doesn’t generate the buckling defect during constrained ring rolling, and it is proved that the quantitative buckling defect representation method and the optimization design method based on the response surface model and the finite element simulation results are feasible for the constrained ring rolling process of the AATWCRIHR.

A multi-tool analytical practice was used for characterization of 16^th century carpet manufactured in Cairo. Mild extraction method with hydrofluoric acid enabled isolation of intact flavonoids and their glycosides, anthraquinones, tannins and indigoids from fibre samples. High-performance liquid chromatography coupled to spectroscopic and mass spectrometric detectors was used for identification of natural dyes present in the historical samples. Weld, young fustic and brazilwood were identified as the dye sources in yellow thread samples. Red fibres have been colored with lac dye, whereas green fibre shades were obtained with indigo and weld. Tannin-containing plant material in combination with indigo and weld were used to obtain brown hue of thread. Four uncommon and thus-far unknown dye components were also found in the historical samples. These compounds probably represent unique fingerprint of dyed threads from this region. Scanning electron microscopy with energy-dispersive X-ray detector (SEM-EDS) and Fourier transformation infrared spectroscopy (FT-IR) were used for identification and characterization of substrates and mordants present in the historical carpet. Carbon and oxygen were detected in large quantities as a part of the wool protein. The presence of aluminum, iron and calcium indicated their usage as mordants. FT-IR analysis showed bands characteristic to woolen fibres and SEM micrographs definite structure of wool.

In this paper, we compile the fractional power series method and the Laplace transform to design a new algorithm for solving the fractional Volterra integro-differential equation. For that, we assume the Laplace power series (LPS) solution in terms of power q=1m,m∈Z+, where the fractional derivative of order α=qγ for which γ∈Z+. This assumption will help us to write the integral, the kernel, and the nonhomogeneous terms as a LPS with the same power. The recurrence relations for finding the series coefficients can be constructed using this form. To demonstrate the algorithm's accuracy, the residual error is defined and calculated for several values of the fractional derivative. Two strongly nonlinear examples are discussed to provide the efficiency of the algorithm. The algorithm gains powerful results for this kind of problem. Under Caputo meaning the obtained results are illustrated numerically, and graphically. Geometrically, the behavior of the solution declares that the changing of the fractional derivative parameter values' in their domain alters the style of the attained solution in a symmetrical meaning and fully coinciding to the ordinary derivative value'. From these simulations, the results report that the recommended novel algorithm is a straightforward, accurate, and superb tool to generate analytic-approximate solutions for Integral, and integro-differental equations of fractional order.

A novel determination method using flow-through cartridge purification and ultra-high-performance liquid chromatography coupled to tandem mass spectrometry (UPLC-MS/MS) was developed for the identification and quantification of 30 mycotoxins (aflatoxin B1, B2, G1, G2, sterigmatocysin, T-2 toxin, diacetoxyscirpenol, roquefortine C, methylergonovine, ergocornine, lysergol, enniatin A, enniatin A1, enniatin B, enniatin B1, beauvericin, deoxynivalenol, 3-acetylDeoxynivalenol, 15-acetylDeoxynivalenol, patulin, verruculogen, neosolaniol, gliotoxin, HT-2 toxin, wortmannin, zearalenone, α-zearalenol, β-zearalenol, α-zearalanol, and β-zearalanol) in feedstuffs. Mycotoxins were extracted from sample by 0.1% formic acid aqueous solution/acetonitrile (16/84 v/v), then purified by a Cleanert® MC clean-up column. As a result, the pigments and other matrices were efficient removed from the sample extract solution. The purified eluate was collected, then evaporated and redissolved by 0.1% formic acid aqueous solution/acetonitrile (70:30 v/v) for UPLC-MS/MS detection. A BEH Shield RP18 chromatographic column was employed for separation of 30 mycotoxins in a total of 14 min. Multiple-reaction monitoring (MRM) mode was applied for qualitative and quantitative analysis, and matrix calibration curves obtained with the external-standard method was used for quantitation of target analytes. Under optimized conditions, the linearity range was from 2 to 1000 ng/g, and the limit of quantification of the developed method was from 2 to 50 ng/g. The recoveries of 30 mycotoxins spiked in urine samples were from 72.0% to 118.5%, and the relative standard deviation was below 20%. The method was also well approved by certified reference sample, and applied on the real feedstuff samples testing successfully.

The objective of this work is to evaluate and compare the levels of bioactive compounds in basil leaves (Ocimum basilicum), fresh and after thermal drying processing freeze-dried, using methodological procedures that follow internationally recommended and accepted standards. Fresh basil leaves had 9.50 -63.3 mg/100g (vitamin C), 1.8 -3.9 mg EAG/g (total polyphenols), 0.73-1.78 mg/g (flavonoids), 2287.8-1003,8 μg/100g (chlorophyll a), 2606-2287 μg/100g (chlorophyll b), 16.71-20.6 (total carotenoids).Regarding color, there was variation in the parameters L*, a* and b* of the dry sample, but maintained the tendency towards green e (a+) and yellow (b-). Infrared analysis (FTIR) demonstrated the presence of functional groups related to cellulose, hemicellulose and lignin, confirmed by micrography (SEM) with visualization of plant parenchyma residues and fiber bundles. Thermogravimetry (TG/DTG) shows stability in the range of 234 °C, showing more intense mass loss at 294.6 °C. Given the data, it is possible to infer that basil is little affected by freeze-drying, with few changes in bioactive compounds, chemical groups and with good thermal stability. Thus, the application of the freeze-drying technique is a viable alternative to the commercialization of basil leaves, prolonging their useful life and increasing the forms of food applications.

The main objective of this work was to evaluate the application of individual and ensemble machine learning models to classify malignant and benign breast masses using features from two-dimensional (2D) correlated spectroscopy spectra extracted from five-dimensional Echo Planar-Correlated Spectroscopic Imaging (5D EP-COSI) and Diffusion-weighted imaging (DWI). Twenty-four different metabolite and lipid ratios with respect to 2D diagonal peaks at 1.4ppm and 5.4ppm, and water from one-dimensional non-water-suppressed (NWS) spectra were used as the features. Additionally, water fraction, fat fraction and water-to-fat ratios from NWS spectra and apparent diffusion coefficients (ADC) from DWI were included. Nine most important features were identified using recursive feature elimination. XGBoost (AUC:93.0%, Accuracy:85.7%, F1-score:87.6%), GradientBoost (AUC:94.4%, Accuracy:87.0%, F1-score:89.4%), CatBoost (AUC:95.2%, Accuracy:86.9%, F1-score:88.4%) and RandomForest (AUC:92.2%, Accuracy:85.3%, F1-score:87.6%) were the best performing models. While the conventional biomarkers like choline, myo-Inositol, and glycine were statistically significant predictors, the key features contributing to the classification were ADC, 2D diagonal peaks at 0.9ppm, 2.1ppm and 2.3ppm, cross peaks between 1.4 and 0.9ppm, 4.3 and 4.1ppm, 2.1 and 1.4ppm and the triglyceryl-fat cross peak. The results highlight the contribution of the 2D spectral peaks to the model, and they demonstrate the potential of 5D EP-COSI for early breast cancer detection.

A reliable and practical renal-lipid quantification and imaging method is needed. Here, the feasibility of an accelerated MRSI method to map renal fat fractions (FF) at 3T and its repeatability were investigated. A 2D density-weighted concentric-ring-trajectory MRSI was used to accelerate acquiring 48×48 voxels (each of 0.25 ml spatial-resolution) without respiratory navigation implementations. The data was collected over 512 complex-FID timepoints with a 1250 Hz spectral bandwidth. The MRSI sequence was designed with a metabolite-cycling technique for lipid-water separation. The in vivo repeatability performance of the sequence was assessed by conducting a test-reposition-retest study within healthy subjects. The coefficient of variation (CV) in the estimated FF from the test-retest measurements showed a high degree of repeatability of the MRSI-FF (CV= 4.3 ±2.5%). Additionally, the matching level of spectral signature within the same anatomical region was also investigated, and their intrasubject repeatability was also high, with a small standard deviation (8.1 ±6.4%). The MRSI acquisition duration was ~3 minutes only. The proposed MRSI technique can be a reliable technique to quantify and map renal metabolites within a clinically acceptable scan time at 3T that supports the future application of this technique for the non-invasive characterization of heterogeneous renal diseases and tumors.

The adulteration of goat milk powder occurs frequently, cattle-derived and soybean-derived ingredients are common adulterants in goat milk powder. However, simultaneously and rapidly detecting cattle-derived and soybean-derived components is still a challenge. high throughput and efficient screening method for adulteration detection is need. In this study, a rapid method was developed to detect the adulteration of common cattle-derived and soybean-derived components simultaneously in goat milk powder by combining the CRISPR/ Cas12a system with recombinant polymerase amplification (RPA). A dual DNA extraction method was employed, primers and crRNA for dual detection were designed and screened, and a series of condition optimizations were carried out in this experiment. The optimized assay can rapidly detect cattle-derived and soybean-derived components in 40 min. The detection limits of both cattle-derived and soybean-derived components were 1% (w/w) for the mixed adulteration models. The established method was applied into a blind survey of 55 commercially available goat milk powder products. The results showed that 36.36% of the samples contained cattle-derived or soybean-derived ingredients, which revealed the noticeable adulteration situation in the goat milk powder market. This study realizes a fast flow of dual extraction, dual amplification and dual detection of cattle-derived and soybean-derived components in goat milk powder for the first time. It can be used for high-throughput and high-efficiency on-site primary screening of goat milk powder adulterants, and provide a technical reference for combating with food adulteration.

Microwave radiation diagnosis technology can detect thermal changes in skin tissue earlier than anatomical changes, but its detection accuracy is limited by non-target radiation interference in the measurement environment, additional measurement errors of system units, and energy scattering and transmission between skin tissues. This paper aims to address the scientific challenges of analyzing the forward and inversion modelling detection mechanism of layered accurate temperature measurement of human skin tissue based on multi-band. The study focuses on the construction of a pencil beam antenna optimization system, the optimization strategy of high-sensitivity correlated radiometer architecture, and the high-precision multi-band forward and inversion modelling detection algorithm. The key technologies include: (1) A new method of integrated modeling and multi-index optimization of antenna with high directivity and small aperture is proposed, and a priori knowledge-guided neural network of pencil beam distribution is constructed to realize the inversion model of antenna structural parameters; (2) The influence mechanism of high sensitivity correlated radiometer architecture error is analyzed, and a periodic phase shift error correction algorithm based on uniform polar circle is designed; (3) Combining deep learning theory and hyperparameter optimization framework, an iterative model is established, and the objective function modified by the penalty factor is defined to realize a new detection method combining forward and inversion. This paper presents a theoretical foundation for the industrialization of microwave radiation diagnostic technology.

(1) Background: Although diagnostic criteria for massive hemorrhage with organ dysfunction such as disseminated intravascular coagulation associated with delivery have been empirically established based on clinical findings, strict logic has yet to be used to establish numerical criteria. (2) Methods: A dataset of 107 deliveries with ≥2,000 g of blood loss, among 13,368 deliveries from nine national perinatal centers in Japan between 2020 and 2023 was obtained. Twenty-three patients had fibrinogen levels <170 mg/dl, which is the initiation of coagulation system failure per our previous reports. Three of these patients had hematuria. We used six machine learning methods to identify the borderline criteria dividing the fibrinogen/fibrin/fibrinogen degradation product (FDP) planes, using 15 coagulation fibrinolytic factors. (3) Results: The boundaries of hematuria development on a two-dimensional plane of fibrinogen and FDP were obtained. If the FDP–fibrinogen/3–60 (mg/dl) value is positive, this indicates hematuria; otherwise, the case is non-hematuria, as demonstrated by the support vector machine method that seemed the most appropriate. (4) Conclusions: The borderline criterion dividing the fibrinogen/FDP plane for patients with hematuria that could be considered organ dysfunction in massive hemorrhage during delivery was obtained using artificial intelligence, and this method seemed to be useful.

Understanding the structure and properties of MgCl2/TiCl4/ID nanoclusters is a key to uncover the origin of Ziegler-Natta catalysis. In this work MgCl2/TiCl4 nanoplatelets derived by machine learning and DFT calculations have been used to model the interaction with ethyl-benzoate EB (as internal donor) with available exposed sites of binary TixCly/MgCl2 systems. The influence of vicinal Ti2Cl8 and coadsorbed TiCl4 on energetic, structural and spectroscopic behaviour of EB has been considered. The adsorption of homogeneous-like TiCl4EB and TiCl4(EB)2 at the various surface sites have been also simulated. Calculations have been carried out by employing B3LYP-D2 and M06 functionals. The adducts have been characterized by computing IR and Raman spectra that have been found to provide specific fingerprints useful to identify surface species; IR spectra have been successfully compared to available experimental data.

Structure based biological and chemical properties of 4-(carboxyamino)-benzoic acid has been studied by quantum chemical methods. The revamped geometric structure and its quantum chemical parameters were obtained by DFT-B3LYP/6-311G method. Normal mode analysis is performed to assign the fundamental vibrational frequencies as per the potential energy distribution (PED) by using the VEDA program. Simulation of IR and Raman spectral patterns are observed by refinement of scale factors. TD-DFT approach is used to explore the excited states of molecule and prediction of electronic absorption spectra. NMR chemical shifts of the molecule are determined by the gauge independent atomic orbital method. The molecular docking is performed to recognize the binding energy of the ligand with the dynamic site of protein. In our docking analysis, the protein 5DT6 shows the best results than other three proteins which could be used for further analysis. Further inter and intra molecular interactions, electrophilic, nucleophilic and chemical reactivity sites are found by molecular electrostatic potential, HOMO-LUMO and Global chemical reactivity descriptors. Thermodynamic property of the title compound is also reported. The determined quantum chemical parameters show high reactivity and the dipole moment was sufficiently high enough to induce nonlinear characteristics which are required for applications in optoelectronic devices.

Lysine plays a crucial role in promoting development, enhancing immune function, and improving the function of central nervous system tissues. The two configurational isomers of amino acids have significantly different effects. Currently, methods for chiral recognition of lysine all have drawbacks such as expensive equipment and complicated detection processes, whereas fluorescence analysis boasts high sensitivity, strong selectivity, and simple operation. In this study, we synthesized four novel Binaphthyl-Amine (BINAM)-based fluorescent probes capable of specifically identifying the L-configuration of lysine among the twenty amino acids constituting human proteins. The enantiomeric fluorescence enhancement ratio (ef or ΔIL/ΔID) reached up to 15.29, demonstrating high enantioselectivity. We also evaluated the probe's recognition ability under different pH, reaction times, and metal ion conditions, as well as the Limit of Detection of the probe. Our findings indicate that this probe is a highly stable tool for detecting chiral lysine.

We determined the optimal composition of reactive magnetron sputtered TiO2-SnO2 mixed layers for electrochromic purposes. We determined and mapped the composition and optical parameters by Spectroscopic Ellipsometry (SE). The Ti‐ and Sn‐ targets have been placed separately, and the Si-wafers on glass substrate (30 cm× 30 cm) were moved under the two separated targets (Ti and Sn) in Ar‐O2 plasma. Different (Effective Medium Approximation (EMA) and oscillator-type) op-tical models were used to obtain the composition maps and thickness of the sample layer. Scanning Electron Microscopy (SEM) with Energy-Dispersive X-ray Spectroscopy (EDS) has been used to check the SE results. The ’goodness’ of diverse optical models have been compared, according to the conditions of sample preparation. We show that in the case of molecular-level mixed layers 2‐Tauc‐Lorentz oscillator model is better than the Bruggeman Effective Medium Approximation (BEMA). The electrochromic properties of mixed metal oxides that deposited by reactive sputtering have been mapped, too.

This work presents emission line flux and kinematic structure mapping based on IFU data of the planetary nebulae Abell 30 (A30). The IFU has a field of view (FoV) of 16" x 12.3" and was used to partially cover knots J1 and J2, and completely cover knots J3 and J4 of A30. Our emission line flux map shows recombination species C II, C III, He I, O II as well as forbidden line species [O III], [Ne III] and [Ne IV] of high excitation level are all distributed in different parts of the knots. The kinematic structure shows considerable variation in both the velocities and spatial locations of these knots with positive and negative velocity excursions from the systematic value. Forbidden line species [O III], [Ne III] are distributed in both knots J3 and J4 but they are travelling at different speeds in opposite directions. Despite variation in distribution of the species, the velocities of [Ne IV] and [O III] are similar and travelling in the same direction while the other species [Ne III], He I, and O II share similar velocity of 200kms−1 up in the opposite direction. The complexity of distribution and kinematic structure of the knots revealed in this work indicates a strong tendency towards the hypothesis of multiple triggering events in the past history of A30.

A Pt(II) complex featuring chelating tridentate bis-aryloxide tetrahydropyrimidinium based N-heterocyclic carbene (NHC) was synthesized and characterized by using different techniques. The electrochemical properties of the complex were investigated by cyclic voltammetry as well as differential pulse voltammetry, which revealed two reversible one-electron oxidation processes. The chemical generation and isolation of one-electron-oxidized species were performed oxidizing the initial complex by means of AgBF4. The combined UV-Vis/NIR- and EPR-spectroscopy studies supported by density functional theory (DFT) calculations suggest the formation of Pt(II)-phenoxyl radical complex. The latter open-shell derivative was structurally characterized by means of X-ray diffraction analysis. Finally, the neutral platinum complex was tested as a mediator in the process of electrocatalytic oxidation of 2-(methylamino)ethanol (MEA).

Considering the significant interest in the synthesis and various properties of the polymorphs of tin dioxide (SnO2), they are still comparatively rare in modern photovoltaic techniques. The hybrid organic-inorganic lead perovskites have triggered a revolution among solar cell researchers due to their low cost and ultrahigh power conversion efficiency. In this research, the optical properties of seven stable polymorphs (Balakrishnan Kanimozhi et al. ACS omega 7, 12 (2022): 10382-10393) of SnO2 have been investigated using first-principles approaches. The effective mass of stable SnO2 polymorphs has been computed and it is found to vary depending on the specific polymorph and the direction in which it is measured. Moreover, the spectroscopic limited maximum efficiency (SLME) of SnO2 polymorphs was also computed and compared to that of other efficient perovskite solar cells. Both Pnnm and Pbca have equivalent efficiency in comparison to the rutile polymorph. Three of the seven stable polymorphs are effective in solar cell applications. This study is the very first attempt to examine the atomic structure and electronic properties of various SnO2 polymorphs using X-ray absorption near-edge spectroscopy (XANES) at both the Sn-K-edge and O-K-edge wavelengths. Our findings, as mentioned in this paper, may be an important advancement in the understanding of these materials, thereby facilitating the development of more efficient photovoltaic devices.

The accurate quantification of $\frac{F{e}^{3+}}{\Sigma Fe}$ ratios for Mössbauer spectroscopic room temperature measurements involves many steps and, when shown in a composite Mössbaur data table, does not allow enough space for more Mössbauer parameters to be presented in the composite table. So a simple formula is derived, (presented as a short communication) which users will find helpful when they have to determine corrected $\frac{F{e}^{3+}}{\Sigma Fe}$ ratios in their room temperature Mössbauer experiments.

The present study aims to develop an efficient numerical method for computing the diffraction and radiation of water waves with horizontal long cylindrical structures, such as floating breakwaters. A higher-order scheme is used to discretize geometry of the structure as well as the relevant physical quantities. As the kernel of this method, Wehausen’s free-surface Green function is calculated by a newly-developed Gauss-Kronrod adaptive quadrature algorithm after elimination of its Cauchy-type singularities. To improve computational efficiency, a Chebyshev approximation approach is applied to a fast calculation of the Green function that needs evaluation thousands of times. In addition, OpenMP parallel technique is used to the formation of influence coefficient matrix, which significantly reduces CPU time. Finally, computations are performed on wave exciting forces and hydrodynamic coefficients for the long cylindrical structures, either floating or submerged. Comparison with other numerical and analytical methods demonstrates good performance of the present method.

In this work we looked for a stable and accurate procedure to perform feature selection in datasets with a much higher number of predictors than individuals, as in Genome-Wide Association Studies. Due to the instability in feature selection when many potential predictors are measured, a variable selection procedure is proposed that combines several replications of shrinkage regression models. A weighted formulation is used to define the final predictors. The procedure is applied to investigate Single Nucleotide Polymorphisms (SNPs) predictors associated to Alzheimer’s disease in the Alzheimer’s disease Neuroimaging Initiative (ADNI) dataset. Two data scenarios are investigated: one considering only the set of SNPs and another with the covariates age, sex, educational level and APOE4 genotype. The SNP rs2075650 and the APOE4 genotype are given as risk factors for AD, which is in line with the literature, and other four new SNPs are pointed, opening new hypotheses for in vivo analyses. These experiments demonstrate the potential of the new method for stable feature selection.

In this paper we describe a method which combines sentiment analysis with machine learning techniques and/or multivariate statistical analysis. By applying this methodology it is possible to classify a collection of texts into two or more groups or clusters. On the basis of a number of previously defined clusters, the novelty of the outlined approach is the use of the sentiment analysis results as input to the machine learning model or multivariate statistical analysis. Once the classifier has been obtained, we can assign a given text into one of the pre-established clusters. The groups or clusters can represent different time periods, classes of texts transcribed from different conversations, etc. The method is illustrated through an example taken from one of the two studies in which we have applied this methodology. In one of the studies, the method was used to classify press news of a volcanic eruption, while in the other study it was used to classify the conversations recorded between a chatbot with different kinds of speakers (humans or chatbots). This last study was the seminal work in which we introduced this methodology.

The thesis proposes a argument that a mass point moving in a horizontal circle on the Earth's surface can generate a radial centrifugal force of the Earth's center of mass, thus realizing an unconventional anti-gravity path. And through the theoretical analysis of the difference in the distribution of gravitational acceleration at different latitudes caused by the rotation of the earth, and the centrifugal force of a mass point moving in a horizontal circle on the earth's surface is analyzed, the validity of the argument is demonstrated. At the same time, the paper puts forward two possible basic principles, and makes theoretical analysis and demonstration. Conceive of the concrete experimental verification of principle two is proposed. Four technical schemes for antigravity ascent are proposed and basic analysis is made. On the premise of not fully considering the practical technical ability, it is theoretically proved that three of them have realistic operability and development potential. In theory, this paper opens up a different way of anti-gravity for human beings, which will bring new ideas and prospects for human beings to get rid of the bondage of gravity.

The new diprotic ligand 3,5-di-tert-butylsalicylaldehyde 4-ethyl-3-thiosemicarbazone, abbreviated H2(3,5-t-Bu2)-sal4eT, exists as the thio-keto tautomer and adopts the E-configuration with respect to the imine double bond as evidenced by single-crystal X-ray analysis and corroborated by spectroscopic characterisation. Upon treatment with Cu(OAc)2·H2O in the presence of either 2,9-dimethyl-1,10-phenanthroline (2,9-Me2-phen) or 1,10-phenanthroline (phen) as a co-ligand in MeOH, this thiosemicarbazone undergoes conformational transformation (relative donor-atom orientations: syn,anti → syn,syn) concomitantly with tautomerization and double deprotonation to afford the ternary copper(II) complexes [Cu{(3,5-t-Bu2)-sal4eT}(2,9-Me2-phen)] (1) and [Cu2{3,5-t-Bu2)-sal4eT}2(phen)] (2). Crystallographic elucidation has revealed that complex 1 is a centrosymmetric dimer of mononuclear copper(II) complex molecules brought about by intermolecular H-bonding. The coordination geometry at the copper(II) centre is best described as distorted square pyramidal in accord with the trigonality index (τ = 0.14). The co-ligand adopts an axial-equatorial coordination mode; hence there is a disparity between its two Cu–N coordinate bonds arising from weakening of the apical one as a consequence of the tetragonal distortion. The axial X-band ESR spectrum of complex 1 is consistent with retention of this structure in solution. Complex 2 is a centrosymmetric dimer of dinuclear copper(II) complex molecules exhibiting intermolecular H-bonding and π-π-stacking interactions. The two copper(II) centres, which are 4.8067(18) Å apart and bridged by the thio-enolate nitrogen of the quadridentate thiosemicarbazonate ligand, display two different coordination geometries, one distorted square planar (τ4 = 0.082) and the other distorted square pyramidal (τ5 = 0.33). Such dinuclear copper(II) thiosemicarbazone complexes, which are crystallographically characterised, are extremely rare. In vitro, complexes 1 and 2 outperform cisplatin as antiproliferative agents in terms of potency and selectivity towards HeLa and MCF-7 cancer cell lines.

Raman scattering has been employed to study in detail the concentration dependence of the vibrational modes for the hexamethylenetetramine (HMTA) aqueous solutions. The formation of protonated and/or aggregated species has been clarified by comparing the experimental with the theoretically predicted vibrational spectra by means of quantum mechanical calculations. The analysis has shown that the vibrational modes of the solutions arise from a contribution of the vibrational modes of the HMTA self-aggregates and hetero-aggregates of HMTA with water molecules that are formed in the low- and intermediate-concentration region, respectively. The protonation of HMTA is ruled out due to the large differences between the experimental and the theoretically calculated spectra of the protonated molecules of HTMA in the fingerprint region. In the low-concentration solutions, the hetero-aggregation reaction of HMTA with water is the dominant mechanism, while at higher concentrations a self-aggregation mechanism occurs. Ultrasonic absorption and velocity measurements were carried out for hexamethylenetetramine aqueous solutions. The acoustic spectra reveal the presence of only one single Debye-type relaxation process that is assigned to the aggregation mechanism of HMTA. The sound absorption data follow two different dependencies on HMTA mole fraction. The crossover 0.018 mole fraction signifies two separate regions with distinct structural characteristics. The relaxation mechanism observed in dilute solutions is attributed to hetero-association of HMTA with water molecules, while at higher concentrations the observed relaxation process is assigned to the self-association reaction of HMTA molecules. This structural transformation is also reflected in several physicochemical properties of the system, including the kinematic viscosity, the mass density, the sound speed, and the adiabatic compressibility of the HMTA aqueous solutions. The combination of vibrational and acoustic spectroscopies with molecular orbital calculations allowed us to disentangle the underlying processes and to elucidate the observed relaxation mechanism in the HMTA aqueous solutions.

Copper indium gallium diselenide, Cu(In,Ga)Se2, thin-film of about 1.2 μm has been deposited on Mo coated soda lime glass by thermal co-evaporation of Cu, In, Ga, and Se sources. The thin film CIGS was characterized by energy dispersive spectroscopy (EDS) and identified the elemental composition of Cu, In, Ga and Se in the film. A CIGS device was completed by the successive deposition of multiple layers; SLG/Mo/CIGS/CdS/ZnO/ITO which yielded the efficiency of 11%. External spectroscopic ellipsometry (ex-situ SE) was performed on the completed device and the device analysis was performed. Starting with the parameterized complex dielectric functions of the individual component layers, SE analysis was performed using a step-wise procedure that ranks the fitting parameters according to their ability to reduce the mean square error (MSE) of the fit. The resulting layer thicknesses and dielectric functions were used to simulate the external quantum efficiency (EQE) of the device assuming complete active layer collection. Electronic losses were identified by comparison of simulated EQE with the measured EQE. The ultimate goal of this work is the optimization of narrow band-gap CIGS-related solar cells for the bottom layer in tandem devices.

Serological human birth cohort studies have identified maternal infection during pregnancy as a risk factor for development of disorders such as Autism Spectrum Disorder and schizophrenia in offspring. Similarly, in experiments using animal models, maternal immune activation (MIA) has been shown to alter neuroanatomical and behavioral development in offspring. This study employs magnetic resonance imaging (MRI) and magnetic resonance spectroscopy (MRS) in conjunction with behavioral assays to refine our understanding of the impact of MIA on neurobiological development in exposed animals. On gestational day nine, pregnant dams were injected with either polyinosinic:polycytidylic acid (POL) to induce MIA or saline (SAL) as a control. Whole-brain MRI, localized proton MRS, and behavioral tests (open field, three chambered social approach, and prepulse inhibition) were acquired at two timepoints, during adolescence (postnatal day [PND] 35) and adulthood (PND 60). Whole-brain voxel-wise volumetric analyses revealed that MIA offspring exhibited altered volume in the hippocampus and caudate putamen (CPu) between adolescence and early adulthood. MRS data were assessed at each timepoint separately; MIA offspring during early adulthood but not adolescence exhibited trending reductions in γ-aminobutyrate (GABA) (p = 0.06) and myo-inositol (Ins) (p = 0.08) compared to saline controls. However, these metabolite differences did not reach levels of significance, even before multiple comparison corrections. Open field testing revealed that during adolescence, MIA offspring displayed a more anxious phenotype than controls wherein they spent less time in the anxiogenic center zone of the open field arena (p < 0.007), but this difference normalized by adulthood. There were no significant differences in sociability preference, novelty preference, or prepulse inhibition comparing the groups. Results suggest that early gestational exposure to MIA results in subtle neuroanatomical changes in the trajectories of development, trending behavioral changes in adolescent offspring, and slight neurochemical changes in young adult offspring. Maternal infection alone may not be enough; additional genetic or environmental risk factors may be required to elicit the more typical symptoms of neuropsychiatric disorders.

Brushless Synchronous Machines (BSM) are replacing conventional synchronous machines with static excitation in generation facilities due to the absence of sparking and lower maintenance. However, this excitation system makes challenging measuring electric parameters in the rotor. This fact highly difficult the detection of ground faults, which are the most common type of electrical fault in electric machines. In this paper, a ground fault detection method for BSM is proposed. It is based on an inductive AC/DC rotating current sensor installed in the shaft. In case of a ground fault in the rotating parts of the BSM, a fault current will flow through the rotor’s sensor, inducing voltage in its stator. Analyzing the frequency components of the induced voltage the detection of a ground fault in the rotating elements is possible. The ground faults detection method proposed covers the whole rotor and discern between DC and AC sides. To corroborate the detection method, experimental tests have been performed using a prototype of this sensor connected to laboratory synchronous machines achieving satisfactory results.

Cobalt oxide nanoparticles are promising candidates for various kinds of practical application. The interest of researchers and scientists in these nanoparticles is due to their unique physical and chemical properties such as density, melting point, magnetic characteristics and band gap. The need to develop high performance and low-cost technologies for obtaining Co3O4 nanoparticles is a major reason in research in this area. The widespread commercial use of Co3O4 nanoparticles will open doors for numerous novel cost effective technologies, which are mostly dependent on the type of synthesis method and raw materials. A possible solution to this problem is to use Cobalt nitrates as a cost-effective precursor using the solution combustion method. Solution combustion synthesis method is one of the best candidate methods that have the potential for high performance and is also cost-effective. This review examines recent progress in the synthesis of Co3O4 nanoparticles by solution combustion method and underscores their significance across various fields, highlighting the need for further research and exploration of their multifaceted applications. In addition, the most recent advancements in the applications of Co3O4 nanoparticles in sensitive sensing, catalysis, supercapacitors/batteries and water treatment/pollutants removal are reviewed and described, focusing on current trends, challenges, and future outlooks.

Acrylamide is probably carcinogenic to humans (International Agency for Research on Cancer, group 2A) with major occurrence in heated, mainly carbohydrate-rich foods. For roasted coffee, a European Union benchmark level of 400 µg/kg acrylamide is of importance. Regularly, the acrylamide contents are controlled using liquid chromatography combined with tandem mass spectrometry (LC-MS/MS). This reference method is reliable and precise but laborious because of the necessary sample clean-up procedure and instrument requirements. This research investigates the possibility of predicting the acrylamide content from proton nuclear magnetic resonance (NMR) spectra that are already recorded for other purposes of coffee control. In the NMR spectrum acrylamide is not directly quantifiable, so that the aim was to establish a correlation between the reference value and the corresponding NMR spectrum by means of a partial least squares (PLS) regression. Therefore, 40 commercially available coffee samples with already available LC-MS/MS data and NMR spectra were used as calibration data. To test the accuracy and robustness of the model and its limitations, 50 coffee samples with extreme roasting degrees and blends were additionally prepared as test set. The PLS model shows an applicability for the varieties C. arabica and C. canephora, which were medium to very dark roasted using drum or infrared roasters. The root mean square error of prediction (RMSEP) is 79 µg/kg acrylamide (n=32). The PLS model is judged as suitable to predict the acrylamide values of commercially available coffee samples. On the other hand, very light roasts containing more than 1000 µg/kg acrylamide are currently not suitable for PLS prediction.

A fatty hydroxamic acid (FHA) mixture synthesized from olive oil triacylglycerides by hydroxylaminolysis and composed predominantly of oleyl and linoleyl hydroxamic acid (OHA and LHA, respectively) was characterized by means of IR, Raman, MS and 1D and 2D ¹H- and ¹³C-NMR spectroscopy. The ratio of OHA and LHA (4:1) was confirmed by MALDI TOF/TOF mass spectrometry. The radical scavenging and the Fe²⁺-chelating activity, as well as antioxidant activity in β-carotene-linoleic acid and the Fe³⁺-reducing power assays of the FHAs yielded positive results. The results of FHA cell toxicity on normal fibroblast (BJ) and a tumour cell line (HeLa) revealed that the normal cell line was sensitive to FHAs within the entire range of applied concentrations (5 × 10⁻⁴ mg/mL to 5 × 10⁻¹ mg/mL), while the HeLa tumour cell line was sensitive only at the highest FHA concentration (5 × 10⁻¹ mg/mL). In silico target prediction indicated cannabinoid receptors 1 and 2, the fatty-acid amide hydrolase 1 and hystone deacetylases as the most probable targets of OHA and LHA. According to ADMET predictor analysis, the safety profiles of OHA and LHA are comparable to that of SAHA (vorinostat) the histone deacetylase inhibitor in use as an antineoplastic and immunomodulating agent.

Hybrid forecasting methods have emerged as a solution surpassing the limitations of both statistical and deep learning approaches. While the first emphasize the significance of variables, they often produce worse forecasting results when compared to newer techniques. In contrast, deep learning models remain enigmatic "black boxes" in terms of interpretability, although achieving better results in forecasting. This article introduces the Comprehensive Cross-Correlation and Lagged Linear Regression Deep Learning (CCLR-DL) framework, designed to harness the best of both approaches, enhancing forecasting accuracy while retaining model interpretability through a feature selection process. CCLR-DL blens cross-correlation analysis, lagged multiple linear regression and granger's causality procedures with deep learning architectures based on LSTM. In a practical demonstration, CCLR-DL was applied to a real database of clinical visits associated to diagnoses in Catalonia, Spain (tracking a population of 6.3 million patients during 10 years). Predicting visits enables the healthcare managers to be ready for future demand shifts. Results demonstrate a consistent and substantial improvement over standalone statistical and deep learning methods when predicting healthcare demand. This hybrid approach not only showcases its efficacy but also offers a promising solution to the challenge of balancing predictive accuracy with model explicability. In this context, this work aims to design and validate a method for feature selection and forecasting of multivariate high dimensional time series datasets not only to improve prediction accuracy but also to model transparency by identifying a subset of variables that improve predictions and G-cause the target variable.

In view of the problem that the output thrust of solenoid actuator is affected by various factors and is difficult to calculate in actual working conditions, this paper proposes a semi-analytical model constructed by magnetic field subdomain method with internal and external boundary conditions in cylindrical coordinate system for calculation, and the general solution equations of magnetic vector potential for each subdomain are derived and solved by MATLAB. Taking a push-pull electromagnet as an example, the finite element simulation and experimental comparative analysis are carried out. The correctness and applicable conditions of the subdomain method are illustrated by comparing the gradient plot of magnetic vector potential, inductance curve and electromagnetic force. By calculating the output thrust after considering the core gravity, spring force and electromagnetic force, it is shown that this method has the advantage of computational flexibility compared with the finite element method, and it is easier to write special algorithms according to various working conditions to calculate the important parameters in engineering applications.

The present study analyzed the effect of temperature, pH, retention time, pretreatment and mixing ratio on the anerobic digestion process. The parameters during the anaerobic co digestion of cow manure and food waste were then optimized using the Taguchi experimental design method. ANOVA is carried out to find the significant parameters which influence the biogas production. Experimental tests were carried out at laboratory scale reactors kept at different temperatures (28 °C, 35 °C, and 50 °C). The specific methanogenic Performance (SMP) during anerobic digestion at higher temperatures was characterized with the analysis of acetate, propionate, butyrate, hydrogen, glucose, and formate. The improvement of biogas production with different pre-treatment i.e., ultrasonic, autoclave, and microwave techniques also analysed. The results showed that reactor that maintained at 35 °C showed the highest biogas production. While the reactor that maintained at lower temperature (28 °C) produced the lower volume of biogas. As the retention time increases, the amount of biogas produced increases. Methanogenic activities of microorganisms reduced at higher temperature conditions (65 °C). Biogas production increased by 28.1%, 20.23%, and 13.27 % when the of substrates treated with ultrasonic, autoclave, and microwave, respectively, compared to the untreated substrate. The optimized condition for the highest biogas production during anaerobic co digestion of food waste and cow manure is temperature of 35 °C, pH of 7 and mixing ratio (CM: FW=1.5:0.5). ANOVA showed that temperature is the most important input parameter affecting biogas production, followed by mixing ratio.

Recently, research on ultra-high-performance concrete (UHPC) with the characteristics of ultra-high strength, high toughness, and high durability has been actively conducted from materials to actual structural applications. However, research on experimental methods that reflect the unique characteristics of UHPC, which are different from those of normal concrete, is insufficient. To solve the difficulties in applying the compressive creep test method for normal concrete to UHPC and to verify the validity of the recently proposed ASTM C 1856 standard test method, this study performed compressive creep tests on UHPC with variables of specimen size, sustained load intensity, fiber length, and strain measuring method. Two types of cylindrical specimens of ϕ100 × 200 mm and ϕ75 × 150 mm were used for a specimen size variable. The sustained load intensities of 10% to 40% based on the specified compressive strength of 150 MPa were applied. Two types of steel fiber lengths of 13 mm and 19.5 mm in the UHPC mix were used as a variable, and three strain measuring methods of the embedded strain gauge method, the attached strain gauge method, and the strain meter with stud measured the change in length of the UHPC specimens. The experimental results showed that the strain meter method using the standard rod had limitations due to the error in the verification process using the standard rod and the observation error of the measurer, and the sustained load intensity is preferable to 15% to 40% of the actual compressive strength. It was found that it is possible to perform a compressive creep test for UHPC using a specimen with a size of ϕ75 mm or more, and the fiber length did not affect the creep behavior of UHPC up to 19.5 mm. As a result of comparing the UHPC creep test results with the creep prediction model, the B3 model was found to most accurately predict the UHPC creep behavior. The creep coefficient pattern of the B3 model was very similar to the measured results, and well reflected the effects of the mixing ratio and compressive strength of UHPC.

: Sputtering of silicon in a Helium magnetron discharge (MS) has been reported as a bottom-up procedure to obtain He-charged silicon films (i.e. He nanobubbles encapsulated in a silicon matrix). The incorporation of heavier noble gases is demonstrated in this work with a synergistic effect producing increased Ne and Ar incorporations when using He-Ne and He-Ar gas mixtures in the MS process. Microstructural and chemical characterizations are reported by ion beam analysis (IBA) and scanning and transmission electron microscopies (SEM and TEM). In addition to gas incorporation, helium promotes the formation of larger nanobubbles. For the case of Ne high resolution X-ray photoelectron and absorption spectroscopies (XPS and XAS) are reported with remarkable dependence of the Ne 1s photoemission and the Ne K-edge absorption on the nanobubbles size and composition. The gas (He, Ne, Ar) charged thin films are proposed as “solid” targets for the characterization of spectroscopic properties of noble gases in a confined state without the need for cryogenics or high-pressure anvils devices. Also their use as targets for nuclear reaction studies is foreseen.

(1) Teeth, represent in humans the most resilient tissues. However, exposure to concentrated acids might lead to their obliteration, thus making human identification difficult. Teeth often contain dental restorations from materials that are even more resilient to acid impact. This paper introduces novel method of 3D reconstruction of dental patterns as a crucial step for digital identification with dental records.; (2) With combination of modern methods of Micro-Computer Tomography, Cone Beam Computer Tomography, Attenuated Total Reflection in conjunction with Fourier-Transform Infrared Spectroscopy and Artificial Intelligence Convolutional Neural Network algorithms, the paper presents the way of 3D dental pattern reconstruction and human remains identification. Research studies morphology of teeth, bone, and dental materials (Amalgam, Composite, Glass-ionomer cement) under different periods of exposure to 75% sulfuric acid; (3) Results reveal significant volume loss in bone, enamel, dentine, and as well glass-ionomer cement. Results also reveal significant resistance of composite and amalgam dental materials to sulfuric acid impact, thus serving as strong parts in the dental pattern mosaic. Paper also introduces probably first successful artificial intelligence application in automated forensic CBCT segmentation.; (4) Interdisciplinary cooperation utilizing mentioned technologies can solve problem of human remains identification with 3D reconstruction of dental patterns and their 2D projections over existing ante-mortem records.

This study presents the utilization of the Microwave InfraRed Thermography (MIRT) technique to identify and analyze the defects in the carbon-fiber-reinforced polymer (CFRP) composite rein-forcement of concrete specimens. At first, a set of the numerical models was created, comprising of the broadband pyramidal horn antenna and the analyzed specimen. The utilization the system operating at a power of 1000W in a continuous mode, operating at frequency of 2.45 GHz was analyzed. The specimen under examination comprised a compact concrete slab that was covered with an adhesive layer, thereafter, topped with a layer of CFRP. An air gap represented a defect at the interface between the concrete and CFRP within the adhesive layer. In the modelling stage the study investigated three separate scenarios: a sample with no defects, a sample with a defect located at the center, and a sample with a numerous additional random defects located at the rim of the CFRP matte, to analyze the effect of the natural reinforcement degradation in this area. The next phase of the study involved conducting experiments to confirm the results obtained from nu-merical modeling. In the experiments the concrete sample aged for 10 years with the defect in the center and naturally developed defects at the CFRP rim was used. The study employed numerical modeling to explore the phenomenon of microwave heating in complex structures. The aim was to assess the chosen antenna design and identify the most effective experimental setup. These con-clusions were subsequently confirmed through experimentation. The observations made during the heating process were particularly remarkable, since they deviated from earlier studies that solely conducted measurements of the sample post-heating phase. The findings demonstrate that MIRT has the capacity to be employed as a technique for detecting flaws in concrete structures reinforced with CFRP.

Levels of trace element pollution in surface soil can be estimated using soil analyses and leaching tests. These methods may reveal different results due to the effect of soil properties, such as grain size and mineral composition, on elemental availability. Therefore, this study advocates an alternative method for monitoring and assessment of trace element pollution in surface soil using terricolous fruticose lichens. Lichens growing at abandoned mine sites and unpolluted areas in southwest Japan and their substrata were analyzed using inductively coupled plasma-mass spectrometry and X-ray fluorescence spectrometry to clarify the relationships between Cu, Zn, As, and Pb concentrations in lichens and soils, including their absorption properties. Concentrations of these elements in the lichens were positively correlated with those in the soils regardless of lichen species, location, habitat, or conditions of soils. The analyzed lichens had neither competitive nor antagonistic properties in their elemental absorption, which made them good biomonitors of trace element pollution in surface soil. The distribution maps of average Cu, Zn, As, and Pb concentrations at each sampling region detected almost all of the Cu, Zn, and As pollution of the soils. Therefore, lichens could be used in practical applications to monitor Cu, Zn, and As pollution in surface soils.

Enhancing energy efficiency within the building sector is imperative to curbing energy losses, given that this sector alone contributes to over 34% of global energy consumption. Employing a building management system, along with its regular updates, presents a strategic avenue to decrease energy usage, enhance building energy efficiency, and more. Tailored control strategies, aligned with the unique characteristics and usage patterns of each building, are essential for achieving energy savings. This article presents an evaluation of HVAC system efficiency in office buildings, utilizing a data-driven approach coupled with simulations conducted in IDA ICE software. The research explores the control strategy of an office building equipped with a constant air volume HVAC system, featuring a regularly controlled air handling unit. The objective is to boost energy efficiency while striking a balance between occupant comfort and energy consumption. Findings indicate that by analyzing measured data and adjusting configurable parameters, building energy consumption can be significantly reduced. Close monitoring of indoor parameters by building operators and corresponding adjustments to the HVAC system can yield energy savings of up to 16%. Leveraging these insights, the paper suggests integrating data-driven and dynamic simulation methods into building management system models to optimize HVAC systems, enhance energy efficiency, and advance ambitious carbon neutrality objectives.

The dynamics of surface and sub-surface water events can lead to slope instability resulting in anomalies such as slough slides on earthen levees. Early detection of these anomalies by a remote sensing approach could save time versus direct assessment. We have implemented a supervised Mahalanobis distance classification algorithm for the detection of slough slides on levees using complex polarimetric Synthetic Aperture Radar (polSAR) data. The classifier output was followed by a spatial majority filter post-processing step which improved the accuracy. The effectiveness of the algorithm is demonstrated using fully quad-polarimetric L-band Synthetic Aperture Radar (SAR) imagery from the NASA Jet Propulsion Laboratory’s (JPL’s) Uninhabited Aerial Vehicle Synthetic Aperture Radar (UAVSAR). The study area is a section of the lower Mississippi River valley in the southern USA. Slide detection accuracy of up to 98 percent was achieved, although the number of available slides examples was small.

The problem of limited water supply in the Vhembe District (Limpopo Province, South Africa) is exacerbated by a preponderance of dissolved salts, which cause disagreeable taste and odour in the water as reported by the communities using this water for drinking. The water treatment plant that supplies the treated water to the communities in the District sources this raw water from the Nandoni Dam at the Livhuvu river catchment. However, there are no scientific studies that have been reported in the literature which focused on determining the levels of water salinity from various water sources in the municipalities of the District. Water samples from various sites across the Nandoni Dam, a primary source of domestic water supply in the region, were collected during all the seasons basis over a period of twelve months in order to ascertain the concentrations of dissolved salts in the dam. Onsite analyses of the water samples were conducted using the YSI ProDSS multimeter, while the laboratory water analyses were conducted using the spectroquant and atomic absorption spectrometers. Although salinity tests seem to indicate that the water sampled across most of the Nandoni Dam is brackish during all seasons of the year with the highest being 750 mg/L, water samples from the dam mid-outlet and the treatment plant are slightly below the WHO brackish water bracket of 500 mg/L with unfavourable taste for drinking. Results from this study indicate that the water sourced from the Nandoni Dam is not suitable for human consumption and therefore requires integrated water resource management, as well as robust and cost-effective water desalination treatment.

This study presents the chemical synthesis, purification, and characterization of a novel non-natural synthetic amino acid. The compound was synthesized in solution, purified, and characterized using NMR spectroscopy, polarimetry, and melting point determination. Dynamic Light 22 Scattering (DLS) analysis demonstrated its ability to form aggregates with an average size of 391 nm, extending to low micrometric sizes. Furthermore, cellular biological assays revealed its ability to enhance fibroblast cell growth, highlighting its potential for tissue regenerative applications. Circular dichroism (CD) spectroscopy showed the ability of the synthetic amino acid to bind serum albumins (using bovine serum albumin (BSA) as a model), and CD deconvolution provided insights into the changes in secondary structures of BSA upon interaction with the amino acid ligand. Additionally, molecular docking using HDOCK software elucidated the most likely binding mode of the ligand inside the BSA structure. We also performed in silico oligomerization of the synthetic compound in order to obtain a model of aggregate to investigate computationally. More in detail, in the dimer formation achieved by molecular self-docking, two distinct poses were observed, corresponding to the lowest and comparable energies, with one pose exhibiting a quasi-coplanar arrangement characterized by a close alignment of two aromatic rings from the synthetic amino acids within the dimer, suggesting the presence of π-π stacking interactions. In contrast, the second pose displayed a non-coplanar configuration, with the aromatic rings oriented in a staggered arrangement, indicating distinct modes of interaction. Both poses were further utilized in the self-docking procedure. Notably, iterative molecular docking of amino acid structures resulted in the formation of higher-order aggregates, with a model of a 512-mer aggregate obtained through self-docking procedures. This model of aggregate presented a cavity capable of hosting therapeutic cargoes and biomolecules, rendering it a potential scaffold for cell adhesion and growth in tissue regenerative applications. Overall, our findings highlight the potential of this synthetic amino acid for tissue regenerative therapeutics and provide valuable insights into its molecular interactions and aggregation behavior.

Public key encryption methods are often used to create a digital signature, and where Bob has a public key and a private key. In order to prove his identity, he will encrypt something related to the message with his private key, and which can then be checked with his public key. The main current methods of public-key encryption include RSA and ECC (Elliptic Curve Cryptography), and which involve computationally difficult operations. But these operations have not been proven to be hard in an era of quantum computers. One well-known hard problem is the solving of quadratic equations with $m$ equations with $n$ variables. This is a known NP-hard problem, even in a world of quantum computers. These can be used as post-quantum signature schemes and which involve multivariate equations. In order to understand these methods, this paper outlines a simple example of implementing the oil and vinegar method, and where we have a number of unknown oil variables and a number of known vinegar variables, and where the vinegar variables help convert the hard problem into an easy one.

This study represents a significant stride in advancing furan chemistry, presenting the synthesis of high-molecular-weight polyfurfuryl alcohol (PFA) resin (Mw = 118,959 g/mol) from furfuryl alcohol (FA) using a co-catalytic system as against the conventional single-catalytic methods. The resulting PFA resin is fully characterised, and we conclude that it exhibits good shelf life and potential in diverse applications, serving as a standalone moulded material or contributing to composites, coatings, adhesives, and nanostructured carbons.

The natural variation in estrogen secretion throughout the female menstrual cycle impacts various organs, including estrogen receptor (ER)-expressed skeletal muscle. Many women commonly experience increased fatigue or reduced energy levels in the days leading up to and during menstruation when blood estrogen levels decline. Yet, it remains unclear whether endogenous 17β-estradiol, a major estrogen component, directly affects energy metabolism in skeletal muscle due to the intricate and fluctuating nature of female hormones. In this study, we employed 3D 31P FID-MRSI to investigate phosphoryl metabolites in the soleus muscle of a cohort of young females (average age: 28 ± 6 years, n = 7) during the early follicular (EF) and peri-ovulation (PO) phases when their blood 17β-estradiol levels differ significantly (EF: 28 ± 18 pg/mL vs. PO: 71 ± 30 pg/mL, p < 0.05), while the levels of other potentially interfering hormones remain relatively invariant. Our findings reveal a reduction in ATP-referenced phosphocreatine (PCr) levels in the EF phase compared to the PO phase for all participants (5.4 ± 4.3%). Furthermore, we observe a linear correlation between muscle PCr levels and blood 17β-estradiol concentrations (r = 0.64, p = 0.014). Conversely, inorganic phosphate Pi and phospholipid metabolite GPC levels remain independent of 17β-estradiol but display a high correlation between EF and PO phases (p = 0.015 for Pi and p = 0.0008 for GPC).The robust association we have identified between ATP-referenced PCr and 17β-estradiol suggests that 17β-estradiol plays a modulatory role in the energy metabolism of skeletal muscle.

More and more works are using machine learning techniques while adopting supervisory control and data acquisition (SCADA) system for wind turbine anomaly or failure detection. While parameter selection is important for modelling a wind turbine’s health condition, only a few papers have been published focusing on this issue and in those papers interconnections among sub-components in a wind turbine are used to address this problem. However, merely the interconnections for decision making sometimes is too general to provide a parameter list considering the differences of each SCADA dataset. In this paper, a method is proposed to provide more detailed suggestions on parameter selection based on mutual information. Moreover, after proving that Copula, a multivariate probability distribution for which the marginal probability distribution of each variable is uniform is capable of simplifying the estimation of mutual information, an empirical copula based mutual information estimation method (ECMI) is introduced for an application. After that, a real SCADA dataset is adopted to test the method, and the results show the effectiveness of the ECMI in providing parameter selection suggestions when physical knowledge is not accurate enough.

Copper nitride (Cu3N), a metastable semiconductor material, but with reasonably-high-stability at room temperature, is drawing a great deal of attention as a very promising next-generation, earth-abundant, thin-film solar absorber. Its non-toxicity, on the other hand, makes it a very attractive eco-friendly semiconducting material. In the present work, Cu3N thin films were grown by employing radio-frequency magnetron sputtering, at room temperature, with 50-W RF-power, and partial nitrogen pressures of 8.0 and 1.0, onto glass substrates. Thus, the influence of argon on the optical properties of the Cu3N thin films was studied, with the goal of being able to achieve a low-cost, light absorber material, with appropriate properties in order to substitute the more conventional silicon, in photovoltaic cells. Variable-angle spectroscopic ellipsometry measurements have been conducted at three angles, 50∘, 60∘, and 70∘, respectively, in order to obtain the two ellipsometric parameters psi, ψ, and delta, Δ, respectively. For the constructed optical model, the bulk planar Cu3N layer is described by a one-dimensional graded-index model, combine with the mixture of a Tauc-Lorentz oscillator and up to four Gaussian oscillators, whereas a BEMA model with 50%-air-void is adopted in order to account for the existing surface-roughness layer. In addition, the optical properties such as the energy-band gap, and refractive index and absorption coefficient, were determined in order to assess the actual capability of this material as a light absorber for solar cells. The direct and indirect band gap energies were accurately calculated, and they were found to be in the ranges of 2.14-2.21 eV and very clse to 1.50 eV, respectively.