Halide perovskite materials gain enormous attention for their semiconducting properties, higher power conversion efficiency and potential applications in a wide range field of studies along with their two key limitations: stability and toxicity. In spite of great progress made on the halide perovskites and many promising research developments, overcoming these limitations is not realized yet. Therefore, coordination engineering of new framework for obtaining alternative new halide perovskite materials and fundamental understanding of the coordination chemistry and electronic interactions forming the structure of these newly engineered halide perovskite materials might be one way in order to overcome the issues related to both stability and toxicity. In this review, the current development of halide perovskite families, both lead halide perovskites and lead free halide perovskites followed by coordination engineering of the new frameworks to engineer new halide perovskite materials will be reviewed comprehensively. Moreover, all the concerns of the fundamental ideas of coordination chemistry and electronic interactions that are keys in forming the halide perovskite structures are discussed in detail and form the main aim of this review. Interestingly, we also discuss recent potential energy applications beyond photovoltaic and this review has completed with an essential and open question: ‘what could happen in the future of halide perovskites?’ in order to excite commercial enterprises and research institutions again as well as to get motivating new predictions on the future continuity of this field.

Among the various types of gas sensors, the chemoresistive gas sensors based on metal oxides are considered the most attractive ones due to their simple operation, low costs and miniaturization. Thin films of V2O5 undoped and doped with TiO2 were studied as nitrogen dioxide, methane and hydrogen sensors. The experimental kinetics of the electrical conductivity changes due to introduction and removal of gas on metal oxide gas sensors were successfully explained in terms of the Langmuir adsorption theory.

Biohydrogen is a versatile energy carrier for the generation of electric energy from renewable sources. Hydrogenases can be used in enzymatic fuel cells to oxidize dihydrogen. The rate of electron transfer (ET) at the anodic side between the [NiFe]-hydrogenase enzyme distal iron-sulfur cluster and the electrode surface can be described by the Marcus equation. All parameters for the Marcus equation are accessible from DFT calculations. The distal cubane FeS-cluster has a three cysteine and one histidine coordination [Fe₄S₄](His)(Cys)₃ first ligation sphere. The reorganization energy (inner- and outer-sphere) is almost unchanged upon a histidine-to-cysteine substitution. Differences in rates of electron transfer between the wild-type enzyme and the all-cysteine mutant can be rationalized by a diminished electronic coupling between the donor and acceptor molecules in the [Fe₄S₄](Cys)₄ case. The fast and efficient electron transfer from the distal iron-sulfur cluster is realized by a fine-tuned protein environment which facilitates the flow of electrons. This study enables the design and control of electron transfer rates and pathways by protein engineering.

A comprehensive kinetic model of the Fischer-Tropsch synthesis (FTS) is developed in a fixed bed reactor under operating conditions (temperature, 230–235°C, pressure, 20–25 bar, gas hourly space velocity, 4000–5000 cm³(STP)/h/g_catalyst ,H₂/CO feed molar ratio, 2.1) over a Co based catalyst. Reaction rate equations based on Eley-Rideal (ER) type model for initiation step and Langmuir-Hinshelwood-Hougen-Watson (LHHW) type model for propagation and termination steps of the FTS reactions have been considered and the readsorption of olefins were taken into account. The model that was reported in the literature was modified in order to explain many significant deviations from the ASF distribution. Optimum parameters have been obtained by Genetic Algorithms (GA). The calculated activation energies to produce n-paraffins and 1-olefins were in the range of 82.24 to 90.68 kJ/mol and 100.66 to 105.24 kJ/mol, respectively. The hydrocarbon distribution in FTS reactions was satisfactorily predicted particularly for paraffins.

Understanding the dynamics of teamwork and communication among healthcare professionals is crucial in the face of evolving healthcare challenges. This study assessed relational coordination among healthcare professionals in the South Tyrolean healthcare system in Italy, focusing on communication and teamwork dynamics in a cross-sectional survey. Using the validated Relational Coordination Survey (RCS) instrument and 525 completed online responses, the questionnaire aimed to understand the implications of different levels of relational coordination ratings by general practitioners, hospital physicians, nurses, and administrative personnel (response rate 26%). The demographics of the participants revealed a predominance of female professionals (64%), with an average age of 50 and 18 years of service. The resulting RCS scores varied significantly across professional groups, with nurses reporting the highest within-group scores, indicating moderate coordination, and administrators reporting the lowest scores, reflecting areas of weak coordination. Between-group relational coordination was generally perceived as weak across professional groups, with the least weakness observed between general practitioners and nurses. German or Italian language and health district affiliation emerged as significant factors influencing relational coordination ratings, highlighting the need for differentiated understanding and strategies in multilingual and diverse regional settings. Assessments of interdisciplinary feedback and referral practices highlight the variation in teamwork and communication weaknesses and underscore the need for targeted interventions to improve relational coordination. This study provides insights into the complexity of relational dynamics in health care settings. It suggests that improving relational coordination through tailored strategies could significantly improve team effectiveness, quality of patient care, and overall system efficiency.

Porous α-Al2O3 ceramics is a highly demanded material for multitude applications such as filters, substrates, biomedicine materials, etc. Despite the availability of the raw materials, a challenge of their technology is in a high energy budget caused by the sintering above 1500 °C. For a cold sintering processing (CSP) of ceramics, the lowering of α-Al2O3 sintering temperature is one of the most urgent challenges at the background of its rapid development. The current paper for the first time demonstrates the solution of the mentioned problem by the CSP of α-alumina ceramics in a presence of pure water as a transient liquid. The manufactured materials were examined by XRD analysis; the evolution of their microstructures during the CSP was revealed by SEM, and the porosity evaluated by the Archimedes method. The ceramics with an open porosity up to 36 % was produced at 380-450 °C, 220 MPa in 30 min. An increase in the pressure was found to impede α-Al2O3 formation from γ-AlOOH. The development of the microstructure was discussed within the frameworks of the dissolution-precipitation model and the homogenous nucleation. The results of the SEM study pointed to the coalescence of γ-AlOOH grains during the CSP.

We study a two-echelon supply chain made up of a supplier and a manufacturer, both of which can reduce their component/product carbon emissions. With the vertical technology spillovers, we explore the optimal decisions of centralized and decentralized supply chains with price dependent demand and propose coordination strategy for the decentralized supply chain. Considering the cost contraction effectiveness of the technology spillovers, the centralized and decentralized game theoretic models of a two-echelon supply chain are developed to investigate optimal decisions of pricing and carbon emissions reduction. Through a systematic comparison and numerical analysis, we show that the profits of both players and the entire supply chain improve with the effect of technology spillovers increasing. Carbon emissions reduction will be taken by various protective measures so that the supplier and the manufacturer who do not innovate can hardly share the results of innovating via the “free-riding” methods when the technology spillover is relatively small. We also propose a revenue-cost sharing contract through bargaining to enhance the performance of the decentralized supply chain.

Smart City has emerged as the mainstream paradigm for urban governance innovation, sustainable development, and strategy upgrades, which is drawing attention from scholars worldwide. However, current frameworks for Smart City assessment remain incomplete and simplistic. In is paper, 30 national or provincial capitals in China were selected and we designed a tri-dimensional SPI model—Social, Physical, and Information Space—for smart city spatial development assessment. Utilizing methods such as entropy weighting, coupled coordination degree models, and the Dagum Gini coefficient, this study assesses the spatial development and coupled coordination of 30 cities from 2011 to 2019. Finally, by means of BP neural networks, the study examines the contribution of each indicator to the spatial coupled coordination. The results indicated that with a narrowing disparity in development speeds among different regions, the spatial coupled coordination development level of smart capitals in China has steadily increased, presenting a pattern of staggered distribution. Moreover, the IS subsystem plays the most significant role in coupled coordination. The significance of this research lies in its tri-dimensional spatial perspective of the spatial development and coupled coordination differences of the Smart City, providing evidence-based support for the regional layout and optimization in China.

Despite the recognized influence of maximum or acceleration strength on combat techniques and countermovement jump (CMJ) performance, the relationship between body segment weights and combat techniques remains unexplored. This study aimed to examine the impact of body segment weights, including striking arm weight (SAW), kicking leg weight (KLW), and trunk weight (TW), on the dynamics of direct punches (DP), palm strikes (PS), elbow strikes (ES), front kicks (FK), and CMJ performance. Sixteen male military cadets (22.3±1.8 years, 181.4±7.0 cm, 83.0±8.1 kg) performed combat techniques, with performance measured by using a force plate and body segment weights assessed by Dual-energy X-ray absorptiometry. Spearman's correlation analysis was applied. Results indicated a strong correlation between KLW and FK impulse (r = 0.64, p ≤ 0.01) and CMJ impact force (r = 0.80, p ≤ 0.01). SAW showed moderate correlations with DP impulse (r = 0.53, p ≤ 0.05) and ES impulse (r = 0.54, p ≤ 0.05). Additionally, FK peak and impact forces were strongly correlated with CMJ jump height (r = 0.74, p ≤ 0.01; r = 0.77, p ≤ 0.01), and FK peak force moderately correlated with CMJ peak velocity (r = 0.63, p ≤ 0.05). These findings suggest targeted arm strength training could enhance striking abilities, while improvements in leg acceleration strength may directly boost kicking performance and vertical jump capabilities, which are crucial in combat scenarios.

This study uses simulation and experimental methodologies to explore the efficacy of bi-sectional horizontal kinetic shading systems (KSS) featuring horizontal fins in enhancing daylight comfort across various climates. Given the increasing energy demands and shifting climatic patterns, optimizing daylight levels while minimizing solar heat gain is vital. The paper introduces a bespoke horizontal bi-sectional KSS, simulated in three distinct climates—Wroclaw, Tehran, and Bangkok—using Climate Based Daylight Modelling methods with Ladybug and Honeybee tools in Rhino software. The study employs standard daylight metrics such as Useful Daylight Illuminance (UDI) and Daylight Glare Probability (DGP), along with custom metrics designed to capture the specific dynamics of the bi-sectional KSS. Initial simulations indicated that the KSS significantly improved daylight distribution and uniformity, reducing glare and over-illumination risks by av. 42.34%. Including KSS switching schedules, which are seldom detailed in similar research, enhances the reproducibility and understanding of findings. Subsequently, a physical reduced-scale mock-up of the bi-sectional KSS was tested under real-weather conditions in Wroclaw (lat. 51° N) during June-July 2024. The mock-up utilized two chambers: one equipped with the prototype of bi-sectional KSS and the second without any protection. The operation of fins was guided by two stepper motors controlled by a Python script running on a Raspberry Pi 3 minicomputer. The control chamber served to benchmark the bi-sectional KSS's efficiency by providing results that would be expected if no shading system were installed. The experimental outcomes supported the simulations, demonstrating the KSS's robustness in reducing high illuminance levels to the target comfort level, thus enhancing indoor visual comfort. The values below 3,000 lux were maintained for 68% of the time. However, it must be explicitly stated that during the June-July 2024 heat waves, the illuminance levels inside the test room momentarily exceeded the comfort threshold of 3,000 lux, reaching up to 4,674 lux. Through quantitative and qualitative analyses, the paper advocates for the broader application and further development of KSS as a climate-responsive shading system in diverse architectural contexts.

Conversion of electromagnetic energy into magnetohydrodynamic energy occurs when the electric conductivity changes from negligible to finite values. This process is relevant during the epoch of reheating of the early Universe at the end of inflation and before the emergence of the radiation-dominated era. We find that conversion into kinetic and thermal energies is primarily the result of electric energy dissipation and that the magnetic energy plays only a secondary role in this process. This means that, since electric energy dominates over magnetic energy during inflation and reheating, significant amounts of electric energy can be converted into magnetohydrodynamic energy when conductivity emerges early enough, before the relevant length scales become stable.

Abstract: Building Information Modelling (BIM) methodology has been empowering the quality of the construction activity in all sectors: multidisciplinary designs development; construction planning and monitoring; building management and maintenance. A BIM environment aggre-gates several disciplines and different professional skillsets and in order to control and improve the quality of a BIM project, a BIM manager is required. The BIM manager has the responsibility to coordinate all tasks involved in a building design and associated activities usually workout over the project documents. This professional can access to the distinct discipline models, located in a shared platform, and request for amendments if inconsistencies are detected. The topic of the present study is illustrated with three building cases were distinct specific projects, disciplines and tasks were elaborated: collaboration between disciplines (architecture, structures and con-struction); structural analyses and reinforcement details; quantity take-off of materials and cost estimation; construction scheduling and simulation. Although there are still limitations in the implementation of BIM methodology in all sectors and stages, within the construction industry, BIM has been bringing an important improvement in the quality of a building design, reflected in the quality of the final product. The present study put in evidence the BIM manager role in pro-jects that aggregates several disciplines and experts, bringing an important contribution in the quality of a building design. BIM methodology is a current demand in the construction industry supported on advanced technology and in an adequate management of projects.

Two-dimensional layered coordination polymers based on the hetero-substituted 3-chloro-6-cyano-2,5-dihydroxybenzoquinone ligand, hereafter ClCNAn2- anilate, and LnIII ions (Tb and Eu) are reported. Compounds 1, 2, formulated as Ln2(ClCNAn)3(DMSO)6 (LnIII = Tb, 1; Eu, 2) and their related intermediates 1’ and 2’, formulated as Ln2(ClCNAn)3(H2O)x.yH2O (x+y likely = 12, Ln = Tb, 1’; and Eu, 2’) were prepared by a conventional one-pot reaction (the latter) and recrystallized from DMSO solvent (the former). Polyhydrated intermediates 1’ and 2’ show very similar XRPD patterns, while, despite their common stoichiometry, 1 and 2 are not isostructural. 1 consists of a 2D coordination framework of 3,6 topology, where [Tb(DMSO)3]3+ moieties are bridged by three bis-chelating ClCNAn2- ligands, forming distorted hexagons. Ultrathin nanosheets of 1 were obtained by exfoliation, via liquid assisted sonication method and characterized by atomic force microscopy, confirming the 2D nature of 1. The crystal structure of 2, still showing the presence of 2D sheets with “hexagonal” mesh and a common (3,6) connectivity, is based onto flat, non-corrugated slabs. Indeed, at a larger scale, the different “rectangular tiles” show a clear roofing in 1, which is totally absent in 2. The magnetic behavior of 1 very likely indicates depopulation of the highest crystal-field levels, as expected for TbIII compounds.

Bicyclic peptides have attracted the interest of pharmaceutical companies because of their remarkable properties putting them on a new path in medicine. Their conformational rigidity that improves proteolytic stability, leads to rapid penetration into tissues via any possible route of administration and elimination, occurring by renal metabolism, is of great importance for people with a history of liver diseases. In addition, each ring can function independently, making them extremely versatile molecules for further optimization. In this paper we compared the potentiometric and spectroscopic properties studied by UV-Vis, MCD, and EPR, of four synthetic analogues of the bi-cyclic peptide c(PKKHP-c(CFWKTC)-PKKH). In particular we correlated the structural and spectral properties of complexes with coordinating abilities toward Cu(II) ions of MCL (Ac-PKKHPc(CFWKTC)PKKH-NH2) that contains the unbinding cycle and N- and C-terminal linear parts, with two histidine residues, one per part; two monocyclic ligands containing one histidine residue, both in the N-terminal position i.e., MCL2 (Ac-PKKHPc(CFWKTC)PKKS-NH2) and in the C-terminal position i.e., MCL3 (Ac-PKKSPc(CFWKTC)PKKH-NH2), respectively, and the linear structure LNL (Ac-PKKHPSFWKTSPKKH-NH2).

The present study aimed to investigate the effect of a motor skills training program in children with DCD considering their gender. The Movement Assessment Battery for Children (MABC-2) classified the children and assessed skill changes over time. The study was implemented at four kindergartens in the Khorezm region of Uzbekistan. In the study, all children had DCD (5.17 ± 0.70 years; 10 girls), and all indicators on MABC-2 were less than 16 percent. Participants were divided into an experimental group (n=17) receiving ten weeks of motor skills training program for 45 min twice per week, the control group (n=7) proceeded with exercises of everyday living. All children in the experimental group had a significant increase in total percentile rank of MABC-2 and concerning each domain (manual dexterity; throwing and catching; balance). In the control group, a significant decrease in the total percentile rank of MABC-2 and each domain of MABC-2 was observed. The effectiveness of the intervention program was similar across both genders. The study supports that a period of 10 weeks of a motor skills training program can increase the quality of children's motor coordination and represent a valuable procedure for physical education specialists to enhance motor skills for children with DCD.

We monitored the water quality and hydrological conditions of a horizontal subsurface constructed wetland (HSSF-CW) in Beijing, China, for 2 years. We simulated the area rate constant and the temperature coefficient with the first-order kinetic model. We examined the relationships between the nitrogen (N) removal rate, N load, seasonal variations in the N removal rate, and environmental factors, such as the area rate constant, temperature, and dissolved oxygen (DO). The effluent ammonia (NH₄⁺-N) and nitrate (NO₃⁻-N) concentrations were significantly lower than the influent concentrations (p<0.01, n=38). The NO₃⁻-N load was significantly correlated with the removal rate (R²=0.9566, p<0.01), but the NH^₄+-N load was not correlated with the removal rate (R²=0.0187, p>0.01). The area rate constants of NO₃⁻-N and NH₄⁺-N at 20 °C were 27.01±26.49 and 16.63±10.58 m∙yr⁻¹, respectively. The temperature coefficients for NO₃⁻-N and NH₄⁺-N were estimated at 1.0042 and 0.9604, respectively. The area rate constants for NO₃⁻-N and NH₄⁺-N were not correlated with temperature (p>0.01). The NO₃⁻-N area rate constant was correlated with the corresponding load (R²=0.9625, p<0.01). The NH₄⁺-N area rate was correlated with DO (R²=0.6922, p<0.01), suggesting that the factors that influenced the N removal rate in this wetland met Liebig's law of the minimum.

Proteins in biological systems function at the interface of single molecule and bulk chemistry and thus provide novel insights into the basic physical chemistry of scaling and emergent phenomena. For example, a binary mechanical model based on the chemistry of muscle contraction unifies molecular mechanics and thermodynamics and provides an explicit solution to the Gibbs paradox. Using the same model system, here I show that chemical activities of molecular states have no effect on chemical kinetics or energetics. Specifically, while the concentration or number of molecules in a molecular state is widely thought to contribute to reaction free energies, here I show that it is not the physical presence of molecules that pushes a reaction forward but the number of microstates, , accessible in a chemical state that pulls a reaction toward equilibrium with an entropic force down an entropic funnel. With the derivation of an entropic contribution to chemical kinetics, I develop a novel chemical kinetic formulation that fully describes the chemical thermodynamics of both equilibrium and non-equilibrium reactions in terms of an a priori system reaction energy landscape.

Sewage sludge was utilized into biochar using the slow pyrolysis method. The biochar was then being used for ammonium removal. The sewage sludge biochar was produced at temperature of 550°C, 600°C, 650°C, 700°C and 750°C. A few characterization tests were carried out to study about the physical and chemical properties of the biochar. For instance, moisture and ash content analysis, FTIR spectroscopy, pH Zero Point Charge, biochar yield and SEM. As the pyrolysis temperature increased, the moisture content of SSB decreased while the ash content increased. The FTIR spectra of sewage sludge biochar showed that there were various organic functional groups on the surface of the biochar which were responsible for ammonium adsorption. Furthermore, through pH Zero Point Charge analysis, pH 7.0 was the most optimum pH for the adsorption test of ammonium. The optimum adsorbent dosage was 0.01g while optimum contact time was 150 minutes. Furthermore, 1.2ppm was the most optimum concentration for adsorption process. Based on the result of the characterization tests, SSB700 was the most effective biochar for ammonium adsorption. Based on the result of kinetic and isotherm analysis, the adsorption of ammonium ions usign sewage sludge biochar was a monolayer chemisorption process.

There are many pollution and environment problem in the human ecosystem. There are different methods are used to removal of sulfur from sour gases for example Basic Claus process and Modified Claus process . There are different chemical software are used for simulation and optimization of Claus process for example Aspen Plus and Chemcad ECT. The Gibbs free energy method is introduced and model of Claus process. There are new parameter are introduced in reaction furnace to reduce the error from 33% to 7 %. The waste heat boiler is installed at the reaction furnace in which high pressure stream is produced and study the decomposition the hydrogen sulphide. The new rate of reaction is introduced of the enhancement of H2 production in chemical process. The simulation of reaction furnace in Aspen plus software is the maximum utilization of process. Due to suitable operating condition of reaction furnace is caused the maximum destruction of ammonia gas in the reactor. When we are increasing the oxygen concentration and temperature of feed is causing decreasing the ammonia production in reaction furnace. It is below than acceptance value of ammonia is 150 ppm in the reaction furnace. The presence of oxygen components, Sulfur oxide, hydroxide components are effect on decreasing the amount of ammonia in furnace and temperature is about at 1350⁰C. It is noted that when the production of sulfur recovery is decrease in Claus process and the production of carbon monoxide is increase in the thermal section at the existence. Now we are work on parametric studies of furnace that could be causes the production of ammonia destruction and CO emission in the Claus process. Due to optimize the reaction furnace parameter are help to get large of sulfur production, ammonia gas destruction, increased the catalyst life and decreased of dangerous gases.

In this paper, we consider a make-to-order supply chain which satisfies demand that is dependent on both price and quoted lead -time. The manufacturer chooses the lead -time and the order quantity, and the retailer sets the revenue shares. The interactions between the manufacturer and the retailer are modelled as a Nash Game, and the existence and uniqueness of pure strategy equilibrium are demonstrated. A mechanism that enables the supply chain to coordinate the decisions of the members is developed. Lastly, we also analyze how the supply chain system parameters impact the optimal supply chain decisions and the supply chain performance.

This paper examines a persuasion game between two agents with one-sided asymmetric information, where the informed agent can reveal her private information prior to playing a Battle-of-the-Sexes coordination game. We find that in the presence of strategic uncertainty in coordination there exists an equilibrium where there is no 'unraveling' of information. We provide a purification argument for this mixed strategy equilibrium to strengthen the central result, which is robust to several extensions, including both-sided asymmetric information and imprecise information revelation.

Sustainable development advocates for an environmentally friendly and resource-saving approach, fostering a new quality of productivity that is green and sustainable, and achieving a sustainable development where the economy and the environment are in harmony. The paper is based on clarifying the effects of coordinated development between the economy and the environment, and by establishing an indicator system, applying a remote sensing ecological index, entropy weight method, gray relational degree model, and a coupling coordination model, the relationship of coordinated development of Ordos in 2016-2022 is analyzed from a spatial-temporal perspective. The results are as follows: ① The years of coordinated development between the ecological environment and the economy are in the majority, while the uncoordinated years are fewer. ② The level of coordinated development between the ecological environment and the economy in the various regions of Ordos has been increasing year by year, but it still remains at the barely coordinated and primary coordinated levels. ③ The types of coordinated development between the ecological environment and the economy in Ordos exhibit significant spatial differentiation in terms of spatial distribution and clustering.Therefore, it is necessary to formulate coordinated development policies and measures according to the constraining factors of different regions.

Biodiesel has several drawbacks, such as being prone to oxidation, having reduced stability, and having limited storage time. Antioxidants compatible with biodiesel are being used to address its drawbacks. Utilizing antioxidants effectively improves the quality of biodiesel. Enhancing the quality of biodiesel for use as a clean energy source benefits both the global economy and ecology. Therefore, we believe that our work will contribute to the advancement of the worldwide industry. The study used blends consisting of 20% biodiesel and 80% diesel fuel. Isatin-thiosemicarbazones were tested as additives in blends at a concentration of 3000 parts per million (ppm) using an oxifast device. Comparing them to the chemical antioxidant Trolox. FT-IR, DSC, and TGA were used to characterize these samples. DSC measured sample crystallization temperatures (Tc). Samples with antioxidants showed decreased values compared to the non-antioxidant diesel sample D100. Several DSC tests were conducted to determine the antioxidant strengths of various samples. The results showed that the FT-IR spectrum's antioxidant effect regions grow clearer with antioxidants. The extra antioxidant is effective. Biodiesel's oxidative stability improves with isatin-thiosemicarbazones at varying concentrations. The kinetics of thermal decomposition of isatin-thiosemicarbazones under non-isothermal conditions have been determined using the Kissinger, Ozawa, and Boswell techniques. The activation energies of compounds 1 and 2 were calculated 137–147 kJ mol^-1 and 173–183 kJ mol^-1, respectively.

A survey of the trends in metal-ligand coordination and hydrogen bonding has been carried out on complexes of singly deprotonated cyanuric acid CY− and alkaline earth metals, synthesised from aqueous solution and characterised by X-ray crystallography. Involvement of cyanurate in the metal coordination increases from Mg through Ca and Sr to Ba relative to coordination by water, in parallel with the increasing ionic radius and coordination number. The incidence of bridging of metal centres by both water and cyanurate also increases in this series. The Mg complex contains hexaaqua-coordinated cations, uncoordinated CY− anions, and additional water molecules. Ca and Sr complexes feature polymeric chains of coordinated metal ions, the Ca complex with uncoordinated anions and the Sr complex with all potential ligands coordinated. The Ba complex has a two-dimensional coordination network. Extensive hydrogen bonding plays a key role in generating a three-dimensional network in all four structures. The competition between cyanurate and water for coordination to the alkaline earth metal cations, and that between coordination and hydrogen bonding propensities of the cyanurate anion, appear to be finely balanced, with the structural outcomes depending on the relative sizes and degrees of hardness of the four cations of the group.

Proteolysis Targeting Chimeras (PROTACs) describe compounds that bind to and induce degradation of a target by simultaneously binding to a ubiquitin ligase. More generally referred to as bifunctional degraders, PROTACs have led the way in the field of targeted protein degradation (TPD) with several compounds currently undergoing clinical testing. Alongside bifunctional degraders, single-moiety compounds, or molecular glue degraders (MGDs), are increasingly being considered as a viable approach for development of therapeutics, driven by advances in rational discovery approaches. This review focusses on drug discovery with respect to bifunctional and molecular glue degraders within the ubiquitin proteasome system, including analysis of mechanistic concepts and discovery approaches, with an overview of current clinical and pre-clinical degrader status in oncology, neurodegenerative and inflammatory disease.

Building Information Modelling (BIM) methodology have been optimizing the construction activity in all sectors: multidisciplinary designs development; construction planning and monitoring; building management and maintenance. A BIM environment aggregates several disciplines and different skillsets and in order to control and improve the quality of a BIM project, a BIM manager is required. The BIM manager has the responsibility to coordinate all tasks involved in a building design and associated activities usually workout over the project documents. The professional can access to various discipline models, located in a shared board, and request for amendments if inconsistencies are detected. The present study issue is illustrated with three building cases were distinct specific projects, disciplines and tasks were elaborated: collaboration between disciplines (architecture, structures and construction); structural analyses and reinforcement details; quantity take-off of materials and cost estimation; construction scheduling and simulation. Although there are limitations in the implementation of BIM methodology in all sectors and stages, within the construction industry, BIM have been bringing an important improvement in the quality of a building design, reflected in the quality of the final product. BIM methodology is a current demand in the construction industry supported on advanced technology and in an adequate management of projects, were the BIM manager has an important role.

There are hundreds, if not thousands, of pathways in a unicellular prokaryotic organism, and all these pathways will have to be controlled, regulated, and coordinated to ensure their proper functioning. As organisms evolve from unicellular eukaryotic organisms to multicellular organisms such as the metazoans, more pathways have evolved to support more diverse biological functions. As a result, fine-tuned control, regulation, and coordination of these pathways becomes an immensely complex and demanding task. Yet, consistent with Darwin’s insight that “nature is prodigal in variety, though niggard in innovation,” nature has produced only a few master coordination hubs for these pathways. Moreover, multicellular organisms such as metazoans have evolved two broader means for coordinating various pathways: cross-talk and communication. Cross-talk operates via having shared components and links between intracellular pathways whereas communication operates via transmitting intercellular signals such as hormones and other ligands with membrane receptors and downstream intracellular signal transductions pathways. Our framework points to a more complex network-based approach for understanding biological pathways and the consequences of their disruption, escape, and malfunction such as cancer, aging, and other diseases.

In this study, the Bohler K 190 steel was used. The steel was manufactured by the powder metallurgy (PM) process. The boronizing process was carried out in the range of 1173 to 1323 K, for 1-10 h. The samples were boronized in solid medium, called the Durborid powder mixture. For the microstructural observations, the scanning electron microscopy was utilized for determining the morphology of interfaces and measuring the layers’ thicknesses. The phase composition of boride layers was also determined with X-ray diffraction analysis. To investigate the redistribution of chemical elements redistribution during the boronizing process, the EDS mapping and EDS point analysis were used. The boride layers were constituted by FeB and Fe2B phases except for 1173 K for 1 h. The values of Vickers microhardness of Fe2B, FeB and transition zone were estimated. Finally, to assess the boron activation energies in FeB and Fe2B, the so-called integral method was applied and the results in terms of activation energies were confronted with the literature data.

Based on the panel data from 31 provinces in China from 2012 to 2020, this paper uses the TOPSIS method to measure the development level of the digital economy and environmental quality. Then, a coupled coordination degree model is used to analyse the relationship between the digital economy and environmental quality. Kernel density estimation and the Dagum Gini coefficient method were used to reveal the dynamic evolution trend of the coupled coordination level between the digital economy and environmental quality and the regional trends of coupled indicators. Finally, the dynamics of the above relations were explored with an econometric model. The results show that the coupled coordination degree of the digital economy and environmental quality displays obvious regional heterogeneity, and the national coordination level exhibits dynamic convergence characteristics. The heterogeneity of the coupled coordination degree of the two systems in the eastern region has decreased year by year, except in the western region, the central region and the northeast region, where an upwards trend is observed. Overall, the Gini coefficient of the coupled coordination degree between the digital economy and environmental quality displays a certain downwards trend. The level of economic development, technological innovation level, industrial structure, degree of opening to the outside world, degree of environmental regulation, marketization index and financial development level have a positive influence on the coupled coordination of the digital economy and environmental quality. Environmental regulation is the core driver of the coupling of the two systems, and the economic development level, technological innovation level, industrial structure and degree of openness are the other major drivers. Therefore, in the processes of digital economy transformation and environmental governance, all regions should focus on balanced development between regions to optimize the overall efficiency of the two systems, consider external influence, enhance internal capabilities, and promote the coordination and co-development of the two systems.

In order to realize the sustainable utilization of water resources and the sustainable development of economy, the evaluation index system of water use efficiency system and economic development system was constructed. Entropy weight method and comprehensive evaluation method were adopted to determine the index weights and conduct comprehensive evaluation for the two systems. The coupling coordination model was used to calculate the coupling degree, coordination degree and coupling coordination degree of the two systems. The annual coupling stage and coupling coordination intensity of the two systems were analyzed and determined. The results showed that the comprehensive evaluation values of both water use efficiency system and economic development system in Jinan City increased greatly from 2008 to 2017, and showed a changing trend of ups and downs. The two systems were in the antagonistic stage, and were gradually approaching the running-in stage, indicating that they were in the state of common development. The coupling coordination degree of the two systems gradually increased in waves, progressed from the moderately to the highly coordinated coupling. In the future, if the water control path appropriate to Jinan City can be explored actively, the water-saving kinetic energy of economic development can be increased constantly, and the linkage effect between economic development and water resources utilization can be given full play to, the two systems will be in the orbit with the benign interaction and healthy harmonious development.

In this study, we have focused on studying the heterogenous degradation kinetics of regarding the decomposition of emergency contraceptive agent levonorgestrel (LNG), which is a second-generation synthetic progestogen that is the active component of the racemic mixture of norgestrel. The degradation processes of the active pharmaceutical ingredient (API) were compared with the ones obtained from model system containing the API along with the excipients that are found in a commercialized pharmaceutical formulation in a mass ratio of 1:1 (LNGMIX), in order to observe if the excipients have a stabilizing or destabilizing effect for the degradation of this progestogen. To achieve this, the following investigational methods were used: FTIR (Fourier transform infrared) spectroscopy and thermal analysis (TG/DTG/DSC analysis). For the kinetic analysis the data obtained from two main decomposition processes observed on the DTG curves were used and processed with a preliminary method, namely ASTM E698 and two isoconversional methods: Friedman and Flynn-Wall-Ozawa. The isoconversional study revealed that the decomposition mechanism of both LNG and LNGMIX are complex, and the excipients have a stabilizing effect over decomposition of API in tablet.

The study of coordination practices in health policy and, especially in emergency situations is a central aspect. The COVID-19 pandemic has highlighted the need for further research on such practices, especially those that are deployed in complex and unforeseen situations to respond quickly while minimising errors. These dialogic coordination practices (DP) have been identified through case studies but have not been validated. The purpose of this study is to develop and validate a DP questionnaire for healthcare teams. The development of the items was based on a literature review and the content validation was carried out by means of a Delphi study. A total of 10 experts assessed the clarity and appropriateness of the items and their corresponding measurement scales. Consensus was reached after the second round, with a percentage of agreement greater than or equal to 90% for all items. The validation of these items constitutes a methodological innovation that responds to the call in the literature to open up new avenues for comparative studies, the possibility of generalising the findings obtained and the possibility of bringing together different approaches to the problem of coordination, key in health policy.

Within this work we review the metal coordination effect on the photophysics of metal dipyrrinato complexes. Dipyrrinato complexes are promising candidates in the search for alternative transition metal photosensitizers for application in photodynamic therapy (PDT). These complexes can be activated by irradiation with light of a specific wavelength, after which cytotoxic reactive oxygen species (ROS) are generated. The metal coordination allows for the use of the heavy atom effect, which can enhance the triplet generation necessary for generation of ROS. Additionally, the flexibility of these complexes for metal ions, substitutions and ligands allows the possibility to tune their photophysical properties. A general overview of the mechanism of photodynamic therapy and the properties of the triplet photosensitizers is given, followed by further details of dipyrrinato complexes described in the literature that show relevance as photosensitizers for PDT. In particular, the photophysical properties of Re(I), Ru(II), Ir(III), Ni(II), Cu(II), Pd(II), Pt(II), Zn(II), Ga(III), In(III), Al(III), Sn(II), and P dipyrrinato complexes are discussed. The potential for future development in the field of (dipyrrinato)metal complexes is addressed and several new research topics are suggested throughout this work. We propose that significant advances could be made for heteroleptic bis(dipyrrinato)zinc(II) and homoleptic bis(dipyrrinato)palladium(II) complexes and their application as photosensitizers for PDT.

The incorporation of renewable energy into power systems poses serious challenges to the transmission and distribution power system operators (TSOs and DSOs). To fully leverage these resources there is a need for a new market design with improved coordination between TSOs and DSOs. In this paper we propose two coordination schemes between TSOs and DSOs: one centralised and another decentralised that facilitate the integration of distributed based generation; minimise operational cost; relieve congestion; and promote a sustainable system. To this end, we approximate the power equations with linearised equations so that the resulting optimal power flows (OPFs) in both the TSO and DSO become convex optimisation problems. In the resulting decentralised scheme, the TSO and DSO collaborate to optimally allocate all resources in the system. In particular, we propose an iterative bi-level optimisation technique where the upper level is the TSO that solves its own OPF and determines the locational marginal prices at substations. We demonstrate numerically that the algorithm converges to a near optimal solution. We study the interaction of TSOs and DSOs and the existence of any conflicting objectives with the centralised scheme. More specifically, we approximate the Pareto front of the multi-objective optimal power flow problem where the entire system, i.e., transmission and distribution systems, is modelled. The proposed ideas are illustrated through a five bus transmission system connected with distribution systems, represented by the IEEE 33 and 69 bus feeders.

A series of polynuclear, dinuclear, and mononuclear Mo(VI) complexes were synthesized with the hydrazonato ligands derived from 5-methoxysalicylaldehyde and the corresponding hydrazides (isonicotinic hydrazide (H2L1), nicotinic hydrazide (H2L2), 2-aminobenzhydrazide (H2L3) or 4-aminobenzhydrazide (H2L4)). The metallosupramolecular compounds obtained from non-coordinating solvents, [MoO2(L1,2)]n (1 and 2) and [MoO2(L3,4)]2 (3 and 4), formed infinite structures and metallacycles, respectively. By blocking two coordination sites with cis-dioxo ligands, the molybdenum centers have three coordination sites occupied by the ONO donor atoms from the rigid hydrazone ligands and one by N atom of pyridyl or amine-functionalized ligand subcomponents from the neighbouring Mo building units. The reaction in methanol afforded the mononuclear analogues [MoO2(L1-4)(MeOH)] (1a-4a) with additional monodentate MeOH ligand. All isolated complexes were tested as catalysts for cyclooctene epoxidation using tBuOOH (TBHP) as an oxidant in water. The impact of the structure and ligand lability on the catalytic efficiency in homogeneous cyclooctene epoxidation was elucidated through theoretical considerations. Thus, dinuclear assemblies exhibited better catalytic activity than mononuclear or polynuclear complexes.

The radial distribution networks are designed for unidirectional power flows and are passive in nature. However, with the penetration of Distributed Generation (DG), the power flow becomes bidirectional and the network becomes active. The integration of DGs into distribution network creates many issues with: system stability, protection coordination, power quality, islanding, proper placement and sizing etc. Among these issues, the two most significant are optimal sizing and placement of DGs and their protection coordination in utility network. The proper coordination of relays with high penetration of DGs placed at optimal location increases the availability and reliability of the network during abnormal operating conditions.This research addresses most of the available methods for efficient sizing and placement of DGs in distribution system (numerical, analytical and heuristic) as well as the developed protection coordination techniques for utility networks in the presence of DGs (Artificial Intelligence (AI), adaptive and non-adaptive, multi-agent, hybrid). This paper indicates the possible research gaps and highlights the applications possibilities and methods’ limitations in the area of DGs.

We suggest a deep learning based sensor signal processing method to remove chemical, kinetic and electrical artifacts from ion selective electrodes’ measured values. An ISE is used to investigate the concentration of a specific ion from aqueous solution, by measuring the Nernst potential along the glass membrane. However, application of ISE on a mixture of multiple ion has some problem. First problem is a chemical artifact which is called ion interference effect. Electrically charged particles interact with each other and flows through the glass membrane of different ISEs. Second problem is the kinetic artifact caused by the movement of the liquid. Water molecules collide with the glass membrane causing abnormal peak values of voltage. The last artifact is the interference of ISEs. When multiple ISEs are dipped into same solution, one electrode’s signal emission interference voltage measurement of other electrodes. Therefore, an ISE is recommended to be applied on single-ion solution, without any other sensors applied at the same time. Deep learning approach can remove both 3 artifacts at the same time. The proposed method used 5 layers of artificial neural networks to regress correct signal to remove complex artifacts with one-shot calculation. Its MAPE was less than 1.8% and R² of regression was 0.997. A randomly chosen value of AI-processed data has MAPE less than 5% (p-value 0.016).

This study presents a new kinetic scheme for the mass yield prediction of waste lignocellulosic biomasses treated by Hydrothermal Carbonization (HTC). The proposed reactions are based on the decomposition, solubilization, and polymerization of each main fraction of the biomass: cellulose, hemicellulose, and lignin. The ash content was assumed to be inert. The kinetic parameters have been obtained by non-linear adjustment using a data set with 220 experimental runs collected from the literature. The results indicate that the pre-exponential factors range was from 7.33 x10¹ to 1.412x10⁵ min^-1, and activation energies were between 33.75 y 225.3 kJ/mol. A good fit is achieved between the observed and predicted data with an R² of 0.81 and an RMSE of 7.7 %. The proposed scheme was validated with the experimental data obtained by the HTC of sawdust (Pinus radiata) and rapeseed (Brassica napus). The experiments were carried out at temperatures of 190, 220, and 250 ºC and reaction times of 0, 30, 60, 90, and 120 min. The predicted values showed an average error of 2.3 and 3.5 %, respectively. Therefore, the kinetic scheme is a useful tool in the conversion analysis of waste biomass treated by HTC.

Purposely slow velocity resistance exercise (i.e., 10 s concentric and eccentric phases) is a popular training method, but limits the loads that can be lifted (e.g., <50% 1 RM). This study compared the biomechanical properties of purposely slow velocity (SLOW) and traditional resistance exercise (TRAD) that uses maximal lifting velocities. Healthy resistance-trained men (n=5) performed two testing sessions (barbell squat and bench press) in random-order; a SLOW session (1 set x 10 repetitions at 28% 1 RM, 10 s concentric & eccentric), and a TRAD session (3 x 10 at 70% 1 RM, controlled eccentric and maximal concentric). A force plate and linear position transducer were used to collect kinetic and kinematic data for every repetition of both protocols (α = 0.05). For both exercises, both concentric and eccentric mean force (N) and power (W) for each repetition was greater for TRAD. When the entire training session (squat + bench press) was examined, SLOW exhibited greater time under tension, while TRAD produced greater work (J) and impulse (N·s). Contrary to suggestions in both the lay and scientific literature, purposely slow resistance exercise produced less force, power, and work than traditional velocity resistance exercise.

The operation of electricity and natural gas transmission networks in the U.S. are increasingly interdependent, due to the growing number of installations of gas fired generators and the penetration of renewable energy sources. This development suggests the need for closer communication and coordination between gas and power transmission system operators in order to improve the efficiency and reliability of the combined energy system. In this paper, we present a co-simulation platform for examining the interdependence between natural gas and electricity transmission networks based on a direct current unit-commitment and economic dispatch model for the power system and a transient hydraulic gas model for the gas system. We analyze the value of day-ahead coordination of power and natural gas network operations and show the importance of considering gas system constraints when analyzing power systems operation with high penetration of gas generators and renewable energy sources. Results show that day-ahead coordination contributes to a reduction in curtailed gas during high stress periods (e.g., large gas offtake ramps) and a reduction in energy consumption of gas compressor stations.

In this paper, modelling, simulation and verification of multi-agent manufacturing system with application of bio-inspired techniques are addressed. To this end, the new solution of abstract architecture for control and coordination decentralized systems - CODESA is suggested. Centralized architecture suffers from various problems, such as rigidity, scalability, low fault-tolerance or very limited flexibility, agility, energy efficiency and productivity. Prime is concrete application of CODESA in manufacturing domain. The undesirable characteristics of emergent behaviour are the problem to achieve optimization and impossibility to predict future states of the system. CODESA-Prime has been tested by simulations for automatic guided vehicle (AGV) systems guided by magnetic tape in Ella Software Platform.

Research abounds in the literature on kinetic analyses using thermogravimetric (TG) runs. Many of these studies use approximations of integral or derivative forms of the kinetic law and all of them use programmed temperature, not the actual temperature measured by thermocouples close to the sample. In addition, it is common to conduct a single run in order to perform the calculation. Nevertheless, many authors consider that numerical methods should be used to analyse the kinetics of decomposition. In such cases, the actual temperature is used and, generally, several runs are fitted using the same kinetic parameters, giving robustness to the results. In the present work, a numerical integration procedure was discussed and applied to different examples. We focused on materials presenting a single decomposition curve as well as other materials with more complex processes. Different examples were explored, and the methodology was applied to a number of wastes such as coffee husks, polystyrene and polyethylene.

Plastid gene expression involves many post-transcriptional maturation steps resulting in a complex transcriptome composed of multiple isoforms. Although short read RNA-seq has considerably improved our understanding of the molecular mechanisms controlling these processes, it is unable to sequence full-length transcripts. This information is however crucial when it comes to understand the interplay between the various steps of plastid gene expression. Here, the study of the Arabidopsis leaf plastid transcriptome using Nanopore sequencing showed that many splicing and editing events were not independent but co-occurring. For a given transcript, maturation events also appeared to be chronologically ordered with splicing happening after most sites are edited.

The research deals with the particularities of the initiation in the sport of kin ball, of 94 students (54 boys and 40 girls), without a history of practicing the sport intensively, and the measure of the influence of some components of the motor capacity. Kin ball is a sport that appeared in Canada, in an academic setting and can become an alternative sport in the common university curricula in Romania. The research was carried out in 4 research groups in 2019 and 2022, two of boys and two of girls, similarly, before and after the declaration of the acute phase of the Covid-19 Pandemic, generating physical activity constraints. The originality of the research refers to the initiation, unprecedented in Romania, in the Kin ball sport, through 20 training sessions, carried out in 10-day stages and the evaluation of some motor skills on the subjects. During the experiment, the following components were tested pre- and post-intervention Kin-Ball: palmar muscle strength using the dynamometer, general resistance by running as long as possible for 2 min and general coordination function - body balance, by the Matorin test. The statistical calculation included the application of the Kolmogorov-Smirnov test, depending on which parametric or non-parametric statistical significance tests were applied and the estimation of the size of the intervention effect. The results highlighted particularities of initiation in Kin ball, but also significant differences (p<0.05) in all measurements performed in 2022. The tests in 2019 recorded both significant and statistically insignificant differences, also highlighted by the calculation of the d indicator of to Cohen. The lower initial level of all motor components measured in 2022 and their significant improvement represent aspects that can be understood as collateral effects of the lack of movement during the pandemic.

After 40 years of the discovery of metallocene catalysts, there are still several aspects that remain unresolved, especially when the “conventional” alkylaluminum activators are not used. Herein, we systematically investigate the synthesis of PE via three different zirconocene catalysts, with different alkyl substituents, activated via different organoboron compounds. The polymerization behavior, as well as the properties of the materials, are evaluated. The results demonstrate that the highest catalytic activity is shown by Bis(cyclopentadienyl)dimethylzirconium activated by trityl tetra(pentafluorophenyl)borate. Also finding that toluene is the optimum solvent for these systems and at these reaction conditions. Moreover, to validate our experimental results, a comprehensive mathematical model is developed on the basis of thermodynamic and kinetic principles. The concentration of ethylene transferred to the solvent phase (toluene) in a liquid-vapor equilibrium (LVE) system is estimated based on the Duhem’s theorem. Arrhenius expressions for the kinetic rate constants of a proposed kinetic mechanism are estimated by a kinetic model, in which the rate of polymerization is fitted by a least-square optimization procedure and the molecular weight averages by the method of moments. The simulations of the coordination polymerization suggest the presence of two types of active sites, principally at low temperatures, and the reactivation of the deactivated sites via a boron-based activator. However, the effect of the temperature on the reactivation step is no clear; a deeper understanding via designed experiments is required.

The retrospective noninterventional study investigated the kinetic energy of video images of 18 fertilized eggs (7 were normal and 11 were abnormal) recorded by a time-lapse device leading up to the beginning of the first cleavage. The norm values of cytoplasmic particles were measured by the optical flow method. Three phases profile for normal cases were found regarding the kinetic energy that were 2.199×10⁻²⁴±2.076×10⁻²⁴, 2.369×10⁻²⁴±1.255×10⁻²⁴, and 1.078×10⁻²⁴±4.720×10⁻²⁵ (J) for the phases 1, 2, and 3, respectively. In phase 2, the energies were 2.369 × 10⁻²⁴ ± 1.255 × 10⁻²⁴ and 4.694 × 10⁻²⁴ ± 2.996 × 10⁻²⁴ (J) (mean ± SD, P = 0.0372), and the time required was 8.114 ± 2.937 and 6.018 ± 5.685 (H) (P = 0.0413) for the normal and abnormal cases, respectively. The kinetic energy change was considered a condition for applying the free energy principle that states that, for any self-organized system to be in equilibrium in its environment, it must minimize its informational free energy. The kinetic energy while interpreting it in terms of the free energy principle suggesting clinical usefulness would further our understanding of the phenomenon of fertilized egg development with respect to the birth of human life.

We study in this work a dilute granular gas immersed in a thermal bath made of smaller particles with nonnegligible masses as compared with the granular ones. The kinetic theory for this system is developed and described by an Enskog--Fokker--Planck equation for the one-particle velocity distribution function. Granular particles are assumed to have inelastic and hard interactions, losing energy in collisions as accounted by a constant coefficient of normal restitution. The interaction with the thermal bath is based on a nonlinear drag force plus a white-noise stochastic force. To get explicit results of the temperature aging and steady states, Maxwellian and first Sonine approximations are developed. The latter takes into account the coupling of the excess kurtosis with the temperature. Theoretical predictions are compared with direct simulation Monte Carlo and event-driven molecular dynamics simulations. While good results for the granular temperature are obtained from the Maxwellian approximation, a much better agreement, especially as inelasticity and drag nonlinearity increase, is found when using the first Sonine approximation. The latter approximation is, additionally, crucial to account for memory effects like Mpemba and Kovacs-like ones.

In this study, we introduce a novel framework for the estimation of residual renal function (RRF), based on the population compartmental kinetic behavior of Beta 2 Microglobulin (B2M) and its dialytic removal. Using this model, we simulated a large cohort of patients with various levels of RRF receiving either conventional high-flux hemodialysis or on-line hemodiafiltration. These simulations were used to estimate a novel population kinetic (PK) equation for RRF (PK-RRF) that was validated in an external public dataset of real patients. We assessed the performance of the resulting equation(s) against their ability to estimate urea clearance using cross-validation. Our equations derived entirely from computer simulations and advanced statistical modeling, and had extremely high discrimination (AUC 0.808 – 0.909) when applied to a human dataset of measurements of RRF. A clearance-based equation that utilized pre and post dialysis B2M measurements, patient weight, treatment duration and ultrafiltration had higher discrimination than an equation previously derived in humans. Furthermore, the derived equations appeared to have higher clinical usefulness as assessed by Decision Curve Analysis, potentially supporting decisions that for individualizing dialysis frequency in patients with preserved RRF.

The aim of this study was to assess the differences in motor coordination (MC) of primary school students based on sex, age, and physical activity participation (PAP), as well as investigation the binary and triple interactions of these variables on MC. In addition, ıt is aim to determine the validation and reliability of the KTK3+ test for Turkish schoolchildren aged 6-9. The sample consisted of 848 students from public primary schools, aged between 6-9 years, including 412 boys and 436 girls. Anthropometric characteristics such as height and body weight were meas-ured, and Body Mass Index (BMI) was calculated. The Körperkoordinationstest für Kinder (KTK3+) test battery was utilized to evaluate the levels of MC of the students. One-way multi-variate analysis of variance (MANOVA) was used to determine the binary and triple interactions of sex, age and PAP variables on the MC parameters of the participants. The study revealed that boys had higher scores than girls on eye-hand coordination (EHC) (p < 0.05). No significant dif-ference was found balancing backwards (BB), jumping sideways (JS) and moving sideways (MS) (p > 0.05). When the subtests of the KTK3+ were compared by age levels, a significant difference was determined between the groups in all subtests (p < 0.05). With respect to PAP, students who PAP had a significant advantage in all subtests of the KTK3+ (p < 0.05). It was determined that none of the interaction terms between sex, age, and PAP created a significant difference in any KTK (p= 0.294; 0.680; 0.471; 0.970, p > 0.05, respectively). The results that the boys aged 6-9 per-formed better than girls in EHC, but girls Furthermore, an increase in age level and PAP result-ed in higher scores in all subtests. This study presents evidence supporting sex differences in the motor skills of children within this age range and highlights the potential impact of age and physical activity on motor development.

As traditional supply chains face increasingly severe environmental issues and countries promote green development and sustainable development policy concepts, cultivating green supply chain operation models is gradually being highly valued by current governments and enterprises. Generally speaking, the production of green products incurs higher additional costs and thus their total production costs also increase. In this work, the product green level is related to the random demand. Under the green supply chain buy-back contract with the green product R&amp;D cost sharing between the manufacturer and the retailer, both the product green level and the order quantity need to be decided to maximize the channel profit. In order to coordinate the green supply chain, the manufacturer needs to share both the risk of good salvage and the green product R&amp;D cost with the retailer. We find that both the wholesale price and buy-back price increase in the manufacturer’s proposition of the green product R&amp;D cost, but decrease in emission reduction efficiency coefficient or carbon trading price. In addition, the product green level, the optimal order quantity and the channel profit increase in emission reduction efficiency coefficient, but decrease in the R&amp;D cost coefficient of the product green level. Interestingly, we find that if the carbon trading price is low, the manufacturer will set a low product green level and the product carbon emission trading is a cost for the supply chain. The increment of the carbon trading price leads to a higher cost such that the channel profit is decreased. However, if the carbon trading price is high, the manufacturer will set a high product green level and the product carbon emission trading is a revenue for the supply chain. The increment of the carbon trading price leads to a higher revenue such that the channel profit is increased.

Improving the acquisition and retention of a new motor skill is of great importance. The present study (i) investigated the effects of difficulty manipulation strategies (gradual difficulty), combined with different modalities of feedback (FB) frequency on performance accuracy and consistency when learning a novel fine motor coordination task, and (ii) examined relationships between novel fine motor task performance and executive function (EF), working memory (WM), and perceived difficulty (PD). Thirty-six, right-handed, novice physical education students volunteered to participate in this study. Participants were divided into three progressive difficulty groups (PDG), 100% visual FB (FB1), 50% FB (FB2), and 33% FB (FB3). Progressive difficulty was increased by the manipulation of the distance to the target; 2 m, 2.37 m, and 3.56 m. Three FB modalities were investigated (i.e.: 100% visual FB (100% FB), 50% reduced feedback condition (50% RFB), and 33% reduced feedback conditions (33% RFB)). Performance assessments were conducted following familiarization, acquisition, and retention learning phases. Two stress-conditions of dart throws were investigated (i.e.: free condition (FC) and time pressure condition (TPC)). After the learning intervention, data showed that, under the free condition, the 100% FB group had a significant improvement in accuracy during all learning phases. Under time pressure condition, for the 50% RFB and the 33% RFB group, the measured variable (accuracy and consistency) showed a significant linear improvement in performance. The association between the percentage of RFB frequencies and the task difficulty (50% group) may be a more appropriate and manageable cognitive load compared to the 33% RFB and the 100% FB group. The present findings could have practical implications for practitioners because, while strategies are clearly necessary for improving learning, the efficacy of the process appears to be essentially based on the characteristics of the learners.

The author presents his perspective on the character of science, development, and handedness and relates these to his investigations of the early development of handedness. After presenting some ideas on what hemispheric specialization of function might mean for neural processing and how handedness should be assessed, the neuroscience of control of the arms/hands and interhemispheric communication and coordination are examined for how developmental processes can affect these mechanisms. The author’s work on the development of early handedness is reviewed and placed within a context of cascading events in which different forms of handedness emerge from earlier forms but not in a deterministic manner. This approach supports a continuous rather than categorical distribution of handedness and accounts for the predominance of right-handedness while maintaining a minority of left-handedness. Finally, the relation of the development of handedness to the development of several language and cognitive skills is examined.

Ever since the Cadastre and Land Registry have existed in Spain, they have been completely separate organisations with very different objectives, which influence the real-estate reality. Their coordination is essential to better identify buildings and to more suitably render services to citizens and Administrations. To this end, Law 13/2015 was passed in 2015 for this desirable and pressing Cadastre-Land Registry coordination to come about. This law came into force on 1 November 2015, and coincided with the development of the technical aspects of the graphical information exchange among the Cadastre, Land Registries and Notaries. Several ministries and different organisations, like the Cadastre personnel, jurists, technicians, and even citizens, are implied in this law. Among the technical aspects, georeferenced graphical representations and GML exchange files adapted to the European INSPIRE directives stand out. Such technical aspects are a genuine revolution as they were transferred to the legal world. After more than 2 years after its application, it is still in its initial and adaptation stages because it is a long-standing law that allows land registry units-cadastral parcels to be coordinated while they are incorporated into real-estate trade.

Ankle sprains are the most frequently occurring musculoskeletal injuries among recreational athletes. Ankle support through bandages following the initial orthotic treatment might be beneficial for rehabilitation purposes. Since hardly any study has investigated the impact of bandages in the acute phase of ankle sprains, our study examined the immediate effects of wearing an ankle bandage on fine coordination, proprioception, and motor performance in subjects five weeks after an acute ankle injury. In total, 70 subjects with acute unilateral supination trauma were tested. All subjects completed several rating questionnaires and biomechanical investigations, including a fine coordination and proprioception test, single leg stances, the Y-Balance test and gait analysis. All biomechanical investigations were conducted for the subject's injured leg with and without a bandage (MalleoTrain® Bauerfeind AG) and the healthy leg. Subjects reported moderate to strong improvements in ankle stability and pain when wearing the bandage. Wearing the bandage significantly normalized subjects’ single leg stance performance, as well as the stance phase duration, and the vertical ground reaction forces during walking. However, the bandage did not have a clear effect on fine coordination and proprioception. Wearing a bandage in the acute phase of an ankle sprain may immediately improve motor performance, including standing and walking.

Fatigue performance and self-repairing activity of asphalt binders are two properties that highly influence the fatigue cracking response of asphalt pavement. There are still numerous gaps of knowledge to fill linked with these two characteristics. For instance, current parameters fail to fully accommodate these two bitumen phenomena. This study aims to propose a new procedure to address this issue utilizing the linear amplitude sweep (LAS) test, LAS with rest period (RP) (LASH) test, and simplified viscoelastic continuum damage (S-VECD) model. This research work used four different types of asphalt binders: neat asphalt (NA), self-healing thermoplastic polyurethane (STPU)-modified bitumen (STPB), self-healing poly (dimethyl siloxane) crosslinked with urea bond (IPA1w)-modified bitumen (IPAB), and styrene–butadiene–styrene (SBS)-modified bitumen (SBSB). Before the testing process, all the materials were subjected to short-term and long-term aging. The new procedure showed a superior capacity to analyze and accommodate all bitumen fatigue performances and self-repairing activities compared to the current method. Another finding proved that asphalt binders with higher self-restoration behavior failed to show better fatigue performance. A breakthrough finding demonstrated that asphalt binder fatigue response augmented when the RP was applied at a higher damage intensity (S) value. STPBs and IPABs reached their highest increments of fatigue response, containing 1.0% of STPU and 0.5% of IPA1w, respectively. Those augmentations were 207.54% and 232.64%, respectively.

The feasibility of using full ion kinetics, instead of gyrokinetics, in simulating low-frequency Ion-Temperature-Gradient (ITG) instabilities in tokamaks has recently been demonstrated by Sturdevant et al. [Physics of Plasmas 24, 081207 (2017)]. In that work, a variational integrator was developed to integrate the full orbits of ions in toroidal geometry, which proved to be accurate in capturing both the short-time scale cyclotron motion and long time scale drift motion. The present work extends that work in three aspects. First, we implement a relatively simple full orbit integrator, the Boris integrator, and demonstrate that the accuracy of this integrator is also sufficient for simulation of ITG instabilities. Second, the equilibrium magnetic configuration is extended to general toroidal configuration specified numerically, enabling simulation of realistic equilibria reconstructed from tokamak experiments. Third, we extend that work to the nonlinear regime and investigate the nonlinear saturation of ITG instabilities. To verify the new numerical implementation of the orbit integrator and magnetic configuration, the linear electrostatic ITG frequency and growth rate are compared with those given in Sturdevant's work and good agreement is found.

Marine species are declining at an unprecedented rate, catalyzing many nations to adopt conservation and management targets within their jurisdictions. However, marine species and the biophysical processes that sustain them are naive to international borders. An understanding of the prevalence of cross-border species distributions is important for informing high-level conservation strategies, such as bilateral or regional agreements. Here, we examined 28,252 distribution maps to determine the number and locations of transboundary marine plants and animals. Over 90% of species have ranges spanning at least two jurisdictions, with 58% covering more than ten jurisdictions. All jurisdictions have at least one transboundary species, with the highest concentrations of transboundary species in the USA, Australia, Indonesia, and the Areas Beyond National Jurisdiction. Distributions of mapped biodiversity indicate that overcoming the challenges of multinational governance is critical for a much wider suite of species than migratory megavertebrates and commercially exploited fish stocks—the groups that have received the vast majority of multinational management attention. To effectively protect marine biodiversity, international governance mechanisms (particularly those related to the Convention on Biological Diversity, the Convention on Migratory Species, and Regional Seas Organizations) must be expanded to promote multinational conservation planning, and complimented by a holistic governance framework for biodiversity beyond national jurisdiction.

Background: Depending on the phase of the menstrual cycle the athlete is in, some kinetic, physiological and fatigue variables will show differences. The aim of this study is to analyze whether there are changes in these variables over the course of the menstrual cycle. Methods: Eight regular female runners and triathletes performed a maximal treadmill test, as well as a submaximal test (6’ stages at 50%, 60% and 80% of maximal aerobic speed) in each of the phases of the menstrual cycle: bleeding phase (day 2.4 ± 0.7), follicular phase (day 10.4 ± 2.2) and luteal phase (day 21.8 ± 2.1). Running dynamics were measured (using RunScribe) at the end of each test, as were lactate concentration, heart rate and fatigue (evaluated on a scale of 0 to 5). Results: Higher shock (G) values were recorded in the bleeding phase and higher vertical spring stiffness (kN/m) in the follicular phase. The phase of the menstrual cycle had a significant effect on average and peak heart rate, which was significantly higher in the follicular phase. Conclusions: Higher vertical spring stiffness was observed in the follicular phase, as well as higher peak and average heart rate.

This study evaluated eight herbal and fruit teas to produce kombucha beverages. Besides, the effect of initial sucrose concentration (10, 40, and 70% w/v) on kombucha fermentation from tea extracts was investigated. Kinetic characterization and modeling of kombucha fermentation were also performed. Results showed that kombucha beverages' characteristics and chemical content changed according to tea type and initial sucrose concentration. It was determined that as initial sucrose concentration increased, the consumed substrate concentration increased. The highest total biomass values were determined when green tea and pomegranate tea were supplemented with 70 g/L sucrose. The highest total phenolic content and antioxidant activity were achieved with green tea samples. The total acidity and phenolic substance concentration increased as fermentation progressed in general. The kinetic parameters including maximum consumption rate, sugar utilization, yield, biomass yield, maximum biomass, total acidity, phenolic production rate, and the phenolic result were computed depending on changing substrate concentration. Concerning kinetic modeling, proposed models (Logistic and Luedeking-Piret models) estimated satisfactorily experimental substrate consumption and total acidity values. Besides, total acidity was associated with the substrate consumption.

Exploring the spatio-temporal differentiation characteristics and coupling coordination relationship of the composite ecosystem of urban agglomerations is of great significance for promoting the synergistic development and integration construction of urban agglomerations. This paper is based on LUCC data, DEM, temperature, precipitation and other multi-source data, taking the central Yunnan urban agglomeration as an example. The entropy weight method is first used to determine the comprehensive weights to evaluate the regional economic and social development level. Then, the InVEST (Integrated Valuation of Ecosystem Services and Trade-offs)model was used to quantitatively calculate and analyze the spatial and temporal evolution characteristics of the four ecosystem services, including water conservation, soil conservation, carbon sequestration services, and habitat quality. The coupling coordination model was used to quantitatively analyze the evolution of the coupling coordination of the composite ecosystems in the central Yunnan urban agglomeration during the period of 2010-2020, and to reveal its development law. The results show the following: ①During the study period, the socio-economic subsystems in central Yunnan urban agglomeration demonstrated an outward radiative growth from Kunming City, marked by underdeveloped sub-centers and prevalent low-level areas. ②Trends in ecosystem services varied, with water and soil conservation showing fluctuating increases, carbon sequestration remaining stable, and habitat quality declining. The integrated ecosystem services critically important zone is mainly located in the northeastern region and southwestern edge of the study area. ③Economic, social and ecological subsystems are highly coupled, with consistent overall development trends and strong interactions. ④The increase in the degree of harmonization amounted to 7.82%, with lagging subsystems varying in different degree of harmonization subregions. The study can provide a scientific basis for urban agglomerations to formulate scientific and reasonable development policies, promoting regional sustainable development and optimizing the spatial pattern of the national territory.

Reactions of N‚N'-bis(3-methylpyridyl)oxalamide (L1), N,N’-bis(3-methylpyridyl)adipoamide (L2) and N,N’-bis(3-methylpyridyl)sebacoamide (L3) with tricarboxylic acids and Cu(II) salts afforded {[Cu(L1)(1,3,5-HBTC)]·H2O}n (1,3,5-H3BTC = 1,3,5-benzenetricarboxylic acid), 1, {[Cu1.5(L2)1.5(1,3,5-BTC)(H2O)2]·6.5H2O}n, 2, [Cu(L2)0.5(1,3,5-HBTB)]n (1,3,5-H3BTB = 1,3,5-tri(4-carboxyphenyl)benzene), 3, [Cu4(L3)(OH)2(1,3,5-BTC)2]n, 4, {[Cu3(L3)2(1,3,5-BTB)2]·2.5MeOH·2H2O}n, 5, and {[Cu3(L3)2(1,3,5-BTB)2 ]·DMF·2H2O}n, 6, which have been structurally characterized by using single crystal X-ray crystallography. Complexes 1 – 4 form a 2D layer with the {44.62}-sql topology, a 2D layer with the (4.62)2(42.62.82)-bex topology, a 3-fold interpenetrated 3D net with the (412.63)-pcu topology and a 3D framework with the (410.632.83)(42.6)2(43.63) topology, respectively, whereas 5 and 6 are 3D frameworks with the (63)2(64.82)(68.85.102) topology. Complex 5 shows a better iodine-adsorption factor of 290.0 mg g-1 at 60 oC for 360 minutes than the other ones, revealing that the flexibility of the spacer ligand governs the structural diversity and the adsorption capacity.

Despite more than hundred years of research since Sir Sherrington’s studies on reflexes, his questions are still somehow unanswered. On what anatomical stage do the play of spinal reflex interaction take place? What are the physiological properties of this anatomical substrate? In this paper, we address these questions in light of the most advanced theory of motor control and the anatomical discoveries on the fascia that are changing how we think about control of action and perception. There are two sides of the problem: the neurological (reflex) connections that are at the base of movement, and the anatomical substrate that regulates and coordinates the movement. We recently advanced a hypothesis on how these two elements are connected and how they interplay. Here we further explain the concept of the somatic equilibrium point – SEP – and its central role in movement control and coordination. It is our belief that the concept of SEP explains how the neuro-mechanical control of movement is organized at peripheral level. At this level, intrafusal and extrafusal muscle fibres are combined in myofascial units, organized in anatomical directions. Myofascial units are closed systems whose behaviour can be affected by neural (voluntary) control or changes in external forces. SEPs represent the intrinsic equilibrium of the myofascial units, and are connected through the continuum of the fascia so that mechanical transfer of tension from segment to segment pre-adjust muscle fibers length and hence their excitation level. This is how coordination between segments is achieved. Finally, we suggest SEPs create the neurological representation of the referent configuration for action, and configurations are linked to the architecture of the fascial system.

This paper reviews the management of the COVID-19 crisis and the difficulty of cost estimation model, comparing centralized management or bureaucratic government coaction and the agile market alternative or spontaneous social coordination. This is a study of Political Economy and Health Economics from the perspective of Austrian Economics. We describe and compare the al-ternative models, which are adapted to the current crisis. The analysis is based on the theorem of the impossibility of the economic calculation under coactive systems, and other principles of economy. In this context we pay also attention to collateral problems of the centralized and coac-tive management. Finally we propose a solution based on dynamic efficiency and the constitutions of wellbeing economics

The flywheel is a widespread mechanical component used for the storage of kinetic energy and angular momentum. It typically consists of a cylindrical inertia rotating about its axis on rolling bearings, which involves undesired friction, lubrication, and wear. This paper presents an alternative mechanism that is functionally equivalent to a classical flywheel while relying exclusively on limited-stroke flexure-joints. This novel 1-degrees-of-freedom zero-stiffness mechanism has no wear and requires no lubrication: it is thus compatible with extreme environments, such as vacuum, cryogenics, or ionizing radiation. The mechanism is composed of two coupled pivoting rigid bodies whose individual angular momenta vary during motion but whose sum is constant at all times when the pivoting rate is constant. The quantitative comparison of the flexure-based flywheel to classical ones based on a hollow cylinder as inertia shows that the former stores typically 6 times less angular momentum and kinetic energy for the same mass while occupying typically 10 times more volume. The freedom of design of the shape of the rigid bodies offers the possibility of modifying the ratio of the kinetic energy stored versus angular momentum, which is not possible with classical flywheels. For example, a flexure-based flywheel with rigid pivoting bodies in the shape of thin discs stores 100 times more kinetic energy than a classical flywheel with the same angular momentum. A proof-of-concept prototype was successfully built and characterized in terms of reaction moment generation, which validates the presented analytical model.

Gold nanoparticles, were deposited in titanium oxide (TiO2) Degussa-P25 with the Photodeposition method in the presence of UV light at different concentrations. It was determined by diffuse reflectance (DF), Scanning electron microscopy (SEM), that the Photodeposition method is effective for the inclusion of gold particles on the surface. The catalyst band gap showed a reduction to 2.9 e.V, as well as it was observed that the gold-doped catalyst shows absorption in the visible light range around 500 to 600 nm. The percentage of deposited gold nanoparticles was determined by energy dispersive spectroscopy (EDS). The experimental data were analyzed using different analytical techniques (UV-Vis spectrophotometry, TOC total organic carbon), with these results a carbon-based mass balance and reaction kinetics were generated using the Langmuir-Hinshelwood (LH-HW) heterogeneous catalysis model. For the estimation of the kinetic constants, the non-linear regression of the Levengerd Marquad algorithm was used, with these results, kinetic models of the degradation of the molecule and the generation and consumption of Organic Intermediate Products (OIP) were generated.

Leasing and recycling are important issues to achieve low-carbon sustainable development of construction machinery industry, however there are some dilemmas bothering which is caused by excessive restriction of product service life. Focusing on the problem of pricing and coordination, a two-stage model of leasing closed-loop supply chain based on the Industrial Internet platform practical application was proposed. Under the centralized and decentralized decision-making scenarios, the price of leasing and selling, maintenance effort and recovery rate are calculated respectively. By using the Shapley value method to optimize the selling price, and the two-part pricing contract to calculate the compensation fee, the global profit is reasonably distributed, while the supply chain achieving Pareto optimality. The performance of different contracts on the improvement of supply chain profit was investigated. And the correlation among parameters was also explored through sensitivity analysis and numerical simulation. The findings showed that maintenance and recycling of construction machinery can be improved with the advantage of the Industrial Internet platform, while achieving the supply chain coordination by contracts. The enhancement of maintenance effort can decrease the remanufacturing cost which is positively correlated to the selling price and leasing price of product, furthermore promoting the recovery rate of used products. In the future, reasonable control of platform cost can help improve the recycling of construction machinery.

Abstract:The Schiff bases obtained from formylmenthone and o-, m-, p-toluidine behave as bidentate ligands with O and N donor atoms in Ni(ll) and Cu(II) complexes by the type NiL2 and CuL2.(H2O)2. The donor atoms and the possible geometry for the complexes were assigned by means of chemical, thermodifferential analyses and electronic, EPR and IR spectra.

One new La (III) based coordination polymer , namely, [La(1,4-bdc)(H2O)].(H2O) (1) (tpa = terephthalic acid) has been synthesized through the solvothermal synthesis using terephthalic acid. Structural analysis reveals that compound 1 has a 3-D network with a cube topology. The solid state photolumienescence study shows that compound 1 has a strong emission peak at 680 nm upon excitation at 220 nm . The emission peak is characteristic of the red light emission in the visible region of the electromagnetic spectrum.

Developmental Coordination Disorder (DCD) is a neurodevelopmental condition characterized by non-progressive central motor impairments. Mild movement disorder features have been observed in DCD. Until now, the etiology of DCD remains unclear. Recent studies suggested a genetic substrate in some patients with DCD, but comprehensive knowledge about associated genes and underlying pathogenetic mechanisms is still lacking. In this study, we first identified genes described in literature in patients with a diagnosis of DCD according to the official diagnostic criteria. Second, we exposed the underlying pathogenetic mechanisms of DCD, by investigating tissue- and temporal gene expression patterns and brain-specific biological mech-anisms. Third, we explored putative shared pathogenetic mechanisms between DCD and frequent movement disorders with a known genetic component, including ataxia, chorea, dystonia, and myoclonus. We identified 12 genes associated with DCD in literature, which are ubiquitously expressed in the central nervous system throughout brain development. These genes are involved in cellular processes, neural signaling and nervous system development. There was a remarkable overlap (62%) in pathogenetic mechanisms between DCD-associated genes and genes linked with movement disorders. Our findings suggest that some patients might have a genetic etiology of DCD, which could be considered part of a pathogenetic movement disorder spectrum.

How does the human neurophysiological system self-organize to achieve optimal phase relationships among joints and limbs, such as in the composite rhythms of butterfly and front crawl swimming, drumming, or dancing? We conducted a systematic review of literature relating to CNS control of phase among joint/limbs in continuous rhythmic activities. SCOPUS and Web of Science were searched using keywords ‘Phase AND Rhythm AND Coordination’. This yielded 998 matches from which 23 papers were extracted for inclusion based on screening criteria. The empirical evidence arising from in-vivo, fictive, in-vitro, and modelling of neural control in humans, other species, and robots indicates that the control of movement is facilitated and simplified by innervating muscle synergies by way of spinal central pattern generators (CPGs). These typically behave like oscillators enabling stable repetition across cycles of movements. This approach provides a foundation to guide the design of empirical research in human swimming and other limb independent activities. For example, future research could be conducted to explore whether the two-layer CPG model proposed by Saltiel et al [1] to explain locomotion in cats might also explain the complex relationships among the cyclical motions in human swimming.

Kinetic estimation of glomerular filtration rate (KeGFR) proved its utility in predicting acute kidney injury (AKI) in both adults and children. Our objective is to assess the clinical utility of KeGFR in predicting AKI severity and progression to acute kidney disease (AKD) in patients already diagnosed with AKI and to examine major adverse kidney events at 30 days (MAKE30). We retrospectively calculated the KeGFR in the first 24 hours of identified AKI (KeGFR1) and in the 24 hours prior to AKD (KeGFR2) in all admitted children under 18 years old. The cohort consisted of 803 patients with AKI. We proposed a new classification of KeGFR stages, from 1 to 5, and assessed the predictive value of KeGFR stages for AKD development and MAKE30. AKI severity was associated with lower KeGFRs. KeGFR1 and KeGFR2 predicted AKD with AUC values between 0.777 and 0.841 respectively, p<0.001. KeGFR2 had the best performance in predicting MAKE30 (AUC of 0.819) with a sensitivity of 66.67% and specificity 87.7%. KeGFR1 stage 3, 4 and 5 increased the risk of AKD by 3.07, 6.56 and 28.07 times respectively while KeGFR2 stage 2, 3, 4 and 5 increased the risk of AKD 2.79, 3.58, 32.75 and 80.14 times fold. Stage 5 KeGFR1 and KeGFR2 stages 3, 4 and 5 increased the risk of MAKE30 by 7.77, 4.23. 5.89 and 69.42 times in the adjusted models. KeGFR proved to be a useful tool in AKI settings. KeGFR dynamics can predict AKI severity, duration and outcomes.

Ofloxacin is a highly efficient and widely used antibiotic drug. It is classified as a refractory pollutant due to its poor biodegradability. Consequently, it is commonly found in water sources, requiring efficient methods for its removal. Advanced Oxidation Processes (AOPs) offer efficient alternatives since those yield complete degradation not achieved in adsorption or membrane processes. Previous studies suggest ofloxacin degradation follows a pseudo-first or -second order processes, whereas for full removal of refractory pollutants – lower pseudo-orders are required. Monitoring the actual “pseudo-order” degradation kinetics of ofloxacin is needed to evaluate any proposed AOP process. This study presents a simple procedure to evaluate pseudo-orders of AOPs. Photolysis of 20 mM ofloxacin solutions follow pseudo-zero order kinetics, with half-life times (t_1/2) of approx. 60 min. TiO₂ heterogenous catalyst show to have no influence at low concentration (0.2 mg L^-1) but a significant reduction of half-life time (t_1/2 = 20 min) and increase in pseudo-order (0.8) is measured at 2.0 mg L^-1. Similar results are obtained with homogenous catalysis by 2.0 mg L^-1 H₂O₂. The combination of H₂O₂ and TiO₂ catalysts shows additional reduction in half-time life with increase in the pseudo-order to 1.2. The conclusions are (1) heterogenous and homogenous photocatalysis can effectively degrade ofloxacin, (2) combined photocatalysis yields higher pseudo-order, being less prone to achieve full removal, (3) analysis of specific pseudo-orders in AOPs of refractory pollutants helps to further elucidate the efficiency of the processes.

Vanadium titano-magnetite is a significant resource in China, and in this study, we characterize its isothermal reduction mechanisms in the mixture of H₂, CO, and N₂ where the variables considered here include reduction time, reduction temperature, gas composition, and pellet size. The kinetics of the reduction process are mainly studied, which follows a shrinking core model. The results indicate that the reduction degree of oxidized VTM pellets increases with the increase of reduction time, reduction temperature but decreases with the increase of pellet size. Moreover, we found that an increase of H₂/(H₂+CO) ratio induces an increase of the reduction degree. Then the transformation of main Ti-bearing mineral phases is discussed, and the most probable reaction mechanism is revealed. In the whole reduction process, the kinetic results confirm the existence of an early stage and a latter stage, which are controlled by interface chemical reaction and diffusion, respectively. Furthermore, the results show that the diffusion-control step can be observably shortened with the decrease of pellet size because a thinner product layer is formed during the reduction process. Our study thus provides a valuable technical basis on the VTM industrial application.

A systematic study has been conducted on barbiturate complexes of all five alkali metals Li–Cs prepared from the metal carbonates or hydroxide in aqueous solution without other potential ligands present, varying the stoichiometric ratio of metal ion to barbituric acid (BAH). Eight polymeric compounds (two each for Na, K, and Rb and one each for Li and Cs) have been characterised by single-crystal X-ray diffraction. All contain some combination of barbiturate anion BA− (necessarily in a 1:1 ratio with the metal cation M+), barbituric acid, and water. All organic species and water molecules are coordinated to the metal centres via oxygen atoms as either terminal or bridging ligands. Coordination numbers range from 4 (for the Li complex) to 8 (for the Cs complex). Extensive hydrogen bonding plays a significant role in all the crystal structures, almost all of which include pairs of N–H…O hydrogen bonds linking BA− and/or BAH components into ribbons extending in one dimension. Factors influencing the structure adopted by each compound include cation size and reaction stoichiometry as well as hydrogen bonding.

The cognitive and affective impacts of video games are subjects of ongoing debate, with recent research recognizing their potential benefits. This study employs the Gaming Skill Questionnaire (GSQ) to evaluate participants' gaming skills across six genres and overall proficiency. Eighty-eight individuals aged 20-40 participated, completed assessments of empathy and six cognitive abilities: verbal short-term memory, verbal working memory, visuospatial short-term memory, visuospatial working memory, psychomotor speed (hand-eye coordination), and attention. Cognitive abilities were examined using the Digit Span Test, Corsi Block Test, and Deary-Liewald Reaction Time Task, while empathy was assessed using the Empathy Quotient Questionnaire. Findings indicate that high video game skill levels correlate with improvements in visuospatial short-term and working memory, psychomotor speed, and attention. Different genres enhanced specific skills: RPGs positively influenced verbal working and visuospatial short-term memory but negatively affected empathy; action games improved psychomotor speed and attention; and puzzle games benefited visuospatial working memory. These promising results contribute positively to ongoing research on the cognitive and affective effects of video games, highlighting the potential for video games to enhance certain cognitive functions while also underscoring the complexity of their impact on empathy. Future research should further investigate genre-specific effects and long-term outcomes.

The synthesis and crystal structure of pyrazine-2,5-diyldimethanol (pzydmH2, C8H8N2O2) a new symmetric water-soluble N,O-chelating tetra-dentate organic ligand is reported and an environmentally friendly method was used to synthesize coordination compounds in water under ambient conditions from the reaction of pzydmH2 with the halide salts of Cu(II), Zn(II), Hg(II) and Cd(II): {[Cu(pzydmH2)0.5(µ-Br)(Br)(H2O)]·H2O}n 1, {[Zn2(pzydmH2)(µ-Cl)(Cl)3(H2O)]·H2O}n 2, [Hg2(pzydmH2)0.5(µ-Cl)2(Cl)2]n 3, {[Cd2(pzydmH2)(µ-Cl)4]·H2O}n 4, and {[Cd2(pzydmH2)(µ-Br)4]·H2O}n 5. Single-crystal X-ray diffraction analysis revealed that 1-3 are 1D coordination polymers and 4 and 5 are 3D coordination networks, all constructed by bridging pyrazine-2,5-diyldimethanol and halogen ions. The hydroxyl groups in the organic linker extend the 1D chains to non-covalent 3D networks. In all non-covalent and covalent 3D networks water molecules were trapped by strong hydrogen bond interactions. Supramolecular analysis revealed strong O-H···O, O-H···N, O-H···X and week of C-H···O, C-H···X (X = Cl, Br) hydrogen bonds, as well as π-π(pyrazine ring), metal-halogen···π(pyrazine ring) and O-H···ring(5-membered chelate ring) interactions. Also X···O weak halogen bonds are present in 1-5 (X = Cl and Br).

Abstract: The YF3: (Eu3+, Nd3+) nanoparticles (orthorhombic phase, D ~ 130 nm)) were synthesized via the co-precipitation method with subsequent hydrothermal treatment and annealing. The Eu3+ τdecay linearly descends with the increase of temperature in the 80 - 320 K range. The τdecay (T) slope values of the annealed YF3: Eu3+ (2.5 and 5.0 mol. %) nanoparticles were the highest (110·10-4 and 67·10-4, μs/K in the whole 80 – 320 K range, respectively. Thus, these samples were chosen for further doping with Nd3+. The maximum Sa and Sr values based on the LIR (IEu/INd) function were 0.67 K-1 (at 80 K) and 0.86 %·K-1 (at 154 K), respectively. As it was mentioned above, the sin-gle-doped YF3: Eu3+ (2.5. %) nanoparticles showed the linearly decreasing τdecay (T) function (5D0 – 7F1 emission). The main idea of Nd3+ co-doping was to increase this slope value (as well as the sensitivity) by increasing the rate of τdecay (T) descent via the addition of one more tempera-ture-dependent channel of 5D0 excited state depopulation. Indeed, we managed to increase the slope (Sa) up to 180·10-4 K-1 at 80 K. This result is one of the highest compared to the world analogs.

Water pollution is regarded as a dangerous problem that needs to be resolved right away. This is largely due to the positive correlation between the increase in global population and waste production, especially food waste. Hydrogel beads based on sodium alginate (Alg) and pomegranate fruit peels (PP) were developed for the adsorption of Safranin O dye (SO) in aqueous solutions. The obtained Alg-PP beads were widely characterized. The effects of the contact time (0-180 min) and initial concentration (10-300 mg/l), the initial pH (2-10), the adsorbent dosage (1-40 g/l) and the temperature (293-333 K) were investigated through batch tests. The data proved that the adsorption kinetics of SO reached equilibrium within 30 min and up to 180 min. The adsorption data of SO onto synthesized beads follow the pseudo second-order model. The experimental data fitted very well to both Freundlich and Langmuir models. The maximum adsorption capacity of Alg-PP could reach 8.99 mg/g at 293 K. Calculation of Gibbs free energy and enthalpy indicated that adsorption of SO onto Alg-PP is spontaneous and endothermic. Finally, analysis of diffusion and mass transport phenomena were presented. The reported results revealed that the Alg-PP beads could be used as a novel natural adsorbent for the removal of cationic dye pollutants from aqueous environments.

To realize the energy recovery of wheat straw, the pyrolysis behavior of wheat straw was studied at three heating rates (10, 20, and 30 K/min) based on thermogravimetric analysis (TG–DTG). Kinetics and thermodynamics were analyzed using Flynn–Wall–Ozawa (FWO) and Kissinger–Akahira–Sunose (KAS) model-free methods, and reaction mechanism was determined using Coats–Redfern (CR) model-fitting method. The results show that there are three weightlessness stages in the pyrolysis process, of which the second stage was the main weightlessness stage and two distinct peaks of weightlessness were observed in this stage. With increasing heating rate, the main pyrolytic weightlessness peaks of DTG curve shifts to higher temperature. The pyrolysis activation energy calculated by FWO and KAS methods are 165.17–440.02 kJ/mol and 163.72–452.07 kJ/mol, and the pre-exponential factor vary in the range of 2.58×1012–7.45×1036 s-1 and 1.91×1012–8.66×1037 s-1, respectively. The thermodynamic parameters indicates that wheat straw has the favorable conditions for product formation and containes potential energy to be utilized for bioenergy production, its pyrolysis reaction was non-spontaneous and the energy output is stable. CR method analysis shows that the A1/3 random nucleation model is the most suitable mechanism to characterize the pyrolysis process, and random nucleation may be in charge of the main pyrolysis stage. This study can provide a theoretical basis for the thermochemical conversion and utilization of wheat straw.

Background: Little is known about potential confounding factors influencing the humoral response in individuals having received the BNT162b2 vaccine. Methods: Blood samples from 231 subjects were collected before and 14, 28 and 42 days following COVID-19 vaccination with BNT162b2. Anti-Spike Receptor-Binding-Domain protein (anti-Spike/RBD) immunoglobulin G (IgG) antibodies were measured at each time-point. Impact of age, sex, childbearing age status, hormonal therapy, blood group, body mass index and past-history of SARS-CoV-2 infection were assessed by multivariable analyses. Results and Conclusions: In naïve subjects, the level of anti-Spike/RBD antibodies gradually increased following administration of the first dose to reach the maximal response at day 28 and then plateauing at day 42. In vaccinated subjects with previous SARS-CoV-2 infection, the plateau was reached sooner (i.e. at day 14). In the naïve population, age had a significant negative impact on anti-Spike/RBD titers at day 14 and 28 while lower levels were observed for males at day 42, when corrected for other confounding factors. BMI as well as B and AB blood groups had a significant impact in various subgroups on the early response at day 14 but no longer after. No significant confounding factors were highlighted in the previously infected group.

A formulation of nonequilibrium thermo field dynamics has been performed using the nonequilibrium statistical operator method by D.N. Zubarev. Generalized transfer equations for a consistent description of kinetics and hydrodynamics of the dense quantum-field system with strongly coupled states are derived.

Remote patient monitoring systems are helpful since they can provide timely and effective healthcare facilities. Such online telemedicine are usually achieved with the help of sophisticated and advanced wearable sensor technologies. The modern type of wearable connected devices enables the monitoring of vital sign parameters such as: heart rate variability (HRV) also known as electrocardiogram (ECG), blood pressure (BLP), Respiratory rate and body temperature. The ubiquitous problem of wearable devices is power demand for signal transmission, such devices require frequent battery charge which causes serious limitations to the continuous monitoring of vital data. To overcome this, the current study provides a primary report for collecting kinetic energy from human daily activities for monitoring Human vital signs, the harvested energy is used to sustain the battery autonomy of wearable devices, which enables longer monitoring time of vital data. A thorough review of available commercial ECG devices is first provided, and different methods evaluated in other literature to improve the monitoring time of wearable IOT devices. Besides, a novel type of Stress or exercise ECG monitoring device based on Microcontroller PIC18F4550 and Wi-Fi device ESP8266 is proposed in this study, which is cost effective and enables real time monitoring of heart rate on cloud during normal daily activities. In order to achieve both portability and maximum power, the harvester has smallest structure and low friction. Neodymium magnets are chosen for their highest magnetic force. Due to nonlinear magnetic force interaction of the magnets, the nonlinear part of the dynamic equation has inverse quadratic form. Electromechanical damping is considered in this study and the quadratic non linearity is approximated using MacLaurin expansion, which enables to find the law of motion for general case of studies using classical methods for dynamic equations and find the suitable parameters for the harvester. The oscillations are enabled by applying an initial force and there is loss of energy due to the electromechanical damping. A typical numerical application is computed with Matlab software and ODE45 solver is used to verify the accuracy of the method.

Kinetic modeling is an essential tool in systems biology research, enabling the quantitative analysis of biological systems and predicting their behavior. However, the development of kinetic models is a complex and time-consuming process. In this article, we propose a novel approach called KinModGPT, which generates kinetic models directly from natural language text. KinModGPT employs GPT-3 as a natural language interpreter and Tellurium as an SBML generator. We demonstrate the effectiveness of KinModGPT in creating SBML models from complex natural language descriptions of biochemical reactions. KinModGPT successfully generates valid SBML models from a range of natural language model descriptions of metabolic pathways, protein-protein interaction networks, and heat shock response. This article demonstrates the potential of KinModGPT in kinetic modeling automation.

Reactions of Co(OAc)24H2O, N‚N'-bis(3-pyridylmethyl)oxalamide (L) and 4,4’-sulfonyldibenzoic acid (H2SDA) afforded four coordination polymers with the same mixed ligands, {[Co(L)(SDA)(H2O)2]·H2O·CH3OH}n, 1, {[Co(L)0.5(SDA)]·2H2O·0.5L}n, 2, {[Co(L)1.5(SDA)(H2O)]·H2O}n, 3, and {[Co2(L)1.5(SDA)2(H2O)2]·4H2O}n, 4, which have been structurally characterized by using single crystal X-ray crystallography. Complexes 1 – 4 are 2D layers, revealing the topologies of sql, 2,6L1, (4,4)Ia and 6L12, respectively, and demonstrating that the metal to ligand ratio, solvent system and reaction temperature are important in determining the structural diversity. Immersion of these complexes into various solvents show that the structural types govern the chemical stabilities of 1 – 4. Reversible structural transformation can be shown for complexes 1 and 2 upon solvent removal and adsorption, while those of 3 and 4 are irreversible.

As the understanding of natural gas hydrates as a vast potential resource deepens, their importance as a future clean energy source becomes increasingly evident. However, natural gas hydrates tend to secondary generation during extraction and transportation, leading to safety issues such as pipeline blockages. Consequently, developing new and efficient natural gas hydrate inhibitors has become a focal point in hydrate research. Kinetic Hydrate Inhibitors (KHIs) offer an effective solution by disrupting the nucleation and growth processes of hydrates without altering their thermodynamic equilibrium conditions. This paper systematically reviews the latest research progress and development trends of KHIs for natural gas hydrates, covering their development history, classification, and inhibition mechanisms. It particularly focuses on the chemical properties, inhibition effects, and mechanisms of polymer inhibitors such as polyvinylpyrrolidone (PVP) and polyvinylcaprolactam (PVCap). Studies indicate that these polymer inhibitors provide an economical and efficient solution due to their low dosage and environmental friendliness. Additionally, this paper explores the environmental impact and biodegradability of these inhibitors, offering guidance for future research, including the development, optimization, and environmental assessment of new inhibitors. Through a comprehensive analysis of existing research, this work aims to provide a theoretical foundation and technical reference for the commercial development of natural gas hydrates, promoting their safe and efficient use as a clean energy resource.

Smoked cigarette butts (SCB) can be used as precursors to obtain activated carbon (AC) due to their high carbon content related to the presence of cellulose acetate and components that are retained in the tobacco combustion process. In this way, it was analyzed how the process of pyrolysis or formation of char from this residue occurs, for this a study of the kinetics of formation of char is carried out by thermogravimetry, using three heating speeds 5, 10 and 15 °C/min. Based on the data obtained, mathematical models such as Kissenger - Akahira - Sunose (KAS), Starink (STK) and Ozawa - Flynn - Wall (OFW) were used in order to identify thermodynamic parameters through the energy of activation. The char obtained was subjected to an activation treatment with KOH in order to increase the surface area and pore volume, obtaining values of 433 m2/g of BET area and 0.25 cm3/g of micropore volume. Finally, the adsorbent was applied in the removal of Cr (VI) obtaining a Qmax capacity determined by the Langmuir model of 55.8 mg/g.

In this study, considering the peroxidase-like activity of the SiO₂@AuNPs nanocomposite, their biochemical properties including, pH stability, cycling stability, shelf stability, and kinetic parameters were investigated. The results revealed that the as-mentioned SiO₂@AuNPs nanocomposite reveal its maximal activity at pH=4.0 along with saving 83.3% of its maximal activity at pH=5.0. Besides, the reusability and shelf-storage studies exhibited that the SiO₂@AuNPs nanocomposite retained 90% and 100% of its initial activity after 5 operational cycles and 30 days of storage, in order. The kinetic parameters of the as-prepared nanozymes were calculated using Menten kinetic model, revealing a V_max of 1.35 µM min^-1 and a K_m as low as 0.06 mM for the SiO₂@AuNPs nanocomposite. Based on the results of this work, the as-prepared SiO₂@AuNPs nanocomposite with intrinsic peroxidase-like activity shows high substrate affinity and catalytic efficiency along with excellent cycling- and shelf-stability, making them suitable for application in peroxidase-mediated reactions instead of the native enzyme.

The presence of metal ions, in high concentrations, in the effluents results from industrial metal coating is a well-known fact. Most of time, such metal ions, once they reach the environment, contribute significantly to its degradation. Therefore, it is essential that before such effluents are discharged into the environment, the concentration of metal ions is reduced (as much as possible), to minimize the negative impact on the quality of ecosystems. Among all methods that can be used to reduce the concentration of metal ions, sorption is one of the most viable options, due to its high efficiency and low cost. Moreover, due to the fact that many of the industrial wastes have sorbent properties, this method is in accordance with the principles of circular economy. Based on these considerations, in this study, mustard waste biomass (resulting after oil extraction) was functionalized with an industrial polymeric thiocarbamate (METALSORB), and used as an sorbent to removal Cu(II), Zn(II) and Co(II) ions from aqueous media. The best conditions for the functionalization of mustard waste biomass were found to be: mixing ratio biomass : METASORB = 1g : 1.0 mL and temperature of 30 C. The experimental sorption capacities of functionalized sorbent (MET-MWB) were 0.42 mmol/g for Cu(II), 0.29 mmol/g for Zn(II) and 0.47 mmol/g for Co(II), and were obtained in the following conditions: pH of 5.0, 5.0 g sorbent/L and temperature of 21 C. Modeling of isotherms and kinetic curves, but also the analysis of the results obtained from desorption processes, demonstrates the usefulness of this sorbent in the treatment of effluents contaminated with metal ions. In addition, tests on real wastewater samples highlight the potential of MET-MWB for large-scale applications.

Research on titanium oxo complexes (TOCs) are usually focused on their structure and photocatalytic properties. Findings from these investigations spurred our interest in exploring also their potential biological activities. In this study, we focused on the synthesis and structure of a compound with the general formula [Ti8O2(OiPr)20(man)4] (1), which was isolated from the reaction mixture of titanium(IV) isopropoxide with mandelic acid (Hman) in a molar ratio of 4:1. The structure (1) was determined using single-crystal X-ray diffraction, while spectroscopic studies provided insights into its physicochemical properties. To assess the potential practical applications of (1), its microcrystals were incorporated into a polymethyl methacrylate (PMMA) matrix, yielding composite materials of the type PMMA + (1) (2 wt.%, 5 wt.%, 10 wt.%, and 20 wt.%). The next stage of our research involved the antimicrobial activity evaluation of the obtained materials. Investigations carried out demonstrated antimicrobial activity of pure (1) and its composites (PMMA + (1)) against both Gram-positive and Gram-negative strains. Furthermore, MTT tests conducted on the L929 murine fibroblast cell line confirmed the lack of cytotoxicity of these composites. Our study identified (1) as a promising antimicrobial agent, also for producing composite coatings.

Electrocatalytic reduction of CO2 to valuable chemicals can alleviate the energy crisis, and solve the greenhouse effect. The key is to develop non-noble metal electrocatalysts with high activity, selectivity and stability. Herein, bimetallic MOF materials (BiZn-MOF, BiSn-MOF and BiIn-MOF) were constructed by coordinating the P-zone transition metals Zn, In, Sn and Bi with the organic ligand 3-amino-1H-1,2,4-triazole-5-carboxylic acid (H2atzc) through a rapid microwave synthesis approach. The coordination centers in bimetallic MOF Catalyst were regulated to optimize the catalytic performance to CO2RR. The optimized catalyst BiZn-MOF exhibited high catalytic activity than those of Bi-MOF, BiSn-MOF and BiIn-MOF. The BiZn-MOF exhibited a higher selectivity for formate production with a Faradic efficiency (FE=92%) at a potential of -0.9 V (vs. RHE) with a current density of 13 mA/cm2. The current density maintained for 13 h continuous electrolysis. The electrochemical conversion of CO2 to formic acid mainly follows the *OCHO pathway. The good catalytic performance of BiZn-MOF may be attributed to the Bi-Zn bimetallic coordination centers in the MOF, which can reduce the binding energies of the reaction intermediates by tuning the electronic structure and atomic arrangement. This study provides a feasible strategy for performance optimization of bismuth-based catalysts.

The synthesis and structure of the 4,4′-dipyridyl N,N′-donor ligand with a central thiazolo[5,4-d]thiazole (tztz) unit, named Dptztz is presented. With the linker Dptztz and isophthalate (benzene-1,3-dicarboxylate, 1,3-BDC²⁻) the mixed-linker, two-dimensional coordination network [Zn(1,3-BDC)Dptztz]·DMF could be obtained (DMF = dimethylformamide), which belongs to the class of coordination polymers with interdigitated structures (CIDs). The incorporated DMF solvent molecules can be removed through solvent exchange and evacuation such that the supramolecular 3D packing of the 2D networks retains porosity for CO₂ adsorption in activated [Zn(1,3-BDC)Dptztz]. The first sorption study of a tztz-functionalized porous metal-organic framework material yields a BET surface of 417 m²/g from CO₂ adsorption. The heat of adsorption for CO₂ exhibits a relative maximum with 27.7 kJ/mol at adsorbed CO₂ of about 4 cm³/g STP which is interpreted as a gate-opening effect.

E-waste management (EWM) refers to the operation-management of discarded or unproductive electronic devices and components, a challenge exacerbated due to overindulgent urbanization. This article presents a multidimensional cost-function-based analysis of the EWM framework structured on three modules - environmental, economic, and social uncertainties - which contemplate the 3 pillars of sustainability in an e-waste recycling plant, including the production-delivery-utilization process. The framework incorporates material recovery from a single e-waste facility provisioning for chemical and mechanical recycling. Each module is ranked using independent Machine Learning (ML) protocols: a) Analytical Hierarchical Process (AHP) and b) combined AHP and Principal Component Analysis (PCA). From a long list of possible contributors, the model identifies and ranks two key sustainability contributors to the EWM supply chain: overall energy consumption and volume of carbon dioxide generated. Another key finding is a precise time window for policy resurrection, which for the data considered, happens to be 400-600 days from the start of operation. Another interesting outcome is the quality of prediction using a combination of AHP and PCA, which consistently produced better results than any of these ML methods individually implemented. Model outcomes have been verified using a case study to outline a future E-waste sustained roadmap.

Self-healing ceramic composites are promising smart materials for high-temperature applications. To better understand their behaviors under service conditions, numerous studies have been performed both experimentally and numerically, and kinetics parameters such as activation energy and frequency factor are reported to be indispensable for investigating healing phenomena. Here, we propose a method for determining the kinetic parameters of self-healing ceramic composites based on the oxidation kinetics model of strength recovery. These parameters are determined by an optimization method using experimental strength recovery data under various healing temperatures and times and microstructural features on the fractured surfaces. Alumina and mullite matrix-based self-healing ceramic composites, such as Al2O3/SiC, Al2O3/TiC, Al2O3/Ti2AlC (MAX phase), and mullite/SiC, were selected as target materials. The theoretical strength recovery behaviors of the cracked specimens obtained from the determined kinetic parameters were compared with the experimental results. The determined parameters are within the previously reported range, and the predicted strength recovery behaviors are reasonably agreed with the experimental values. The proposed method can also be applied to other self-healing ceramics with matrices reinforced with different healing agents to evaluate oxidation rate, crack healing rate, and theoretical strength recovery behaviors for designing self-healing materials used in high temperature applications. Furthermore, the healing ability of composites can be fairly discussed regardless of the type of strength recovery test.

An exact solution is obtained for the kinetic energy in the general case of the spatial motion of solids with arbitrary rotation, which differs from the Koenig formula by three additional terms with centrifugal moments of inertia. The description of motion in the Lagrange form and the superposition principle are used, which provides a geometric summation of the velocities and accelerations of the joint motions in the Lagrange form for any particle at any time. The integrand function in the equation for kinetic energy is represented by the sum of the identical velocity components of the joint plane-parallel motions. The moments of inertia in the Koenig formula do not change during movement and can be calculated from the current or initial state of the body. The centrifugal moments change and turn to 0 when rotating relative to the main central axes only for bodies with equal main moments of inertia, for example, for a ball. In other cases, the difference in the main moments of inertia leads to cyclic changes in the kinetic energy with the possible manifestation of precession and nutation, the amplitude of which depends on the angular velocities of rotation of the body. An example of using equations for a robot with one helical and two rotational kinematic pairs is given.

The kinetics of biogas production from biomass depends on several factors such as: carbon to nitrogen ratio (C/N), reactor temperature (T), and retention time (RT). The purpose of this study was to obtain a new model for predicting biogas production. Spent Mushroom Compost (SMC) was used to produce biogas in a batch type reactor. The experiments were carried out with different C/N ratios (12.1, 20, 30 and 40) and in both mesophilic (35°C) and thermophilic (55°C) temperatures. The results showed that the Maximum biogas production at 35°C, C/N=20 was equal to 41.9 mL/gVS and 55°C, C/N=30 was equal to 51.6 mL/gVS. By using experimental data, a new kinetic model was proposed to predict biogas production. Comparing the values of the results indicate that the total values of RMSE for Logistics, Gampartz and new kinetic models was 0.1906, 0.1830 and 0.1617, respectively. Therefore, the process of anaerobic digestion of biomass can be assumed to be just a chemical reaction, and the new kinetic model is an appropriate alternative to microbial growth models.

Multiple lines of evidence indicate that CD8$^+$ T cells are important in the control of HIV-1 (HIV) replication. However, CD8$^+$ T cells induced by natural infection cannot eliminate the virus or reduce viral loads to acceptably low levels in most infected individuals. Understanding the basic quantitative features of CD8$^+$ T-cell responses induced during the course of HIV infection may therefore inform us about the limits that HIV vaccines, which aim to induce protective CD8$^+$ T-cell responses, must exceed. Using previously published experimental data from a cohort of HIV-infected individuals with sampling times from acute to chronic infection we defined the quantitative properties of CD8$^+$ T-cell responses to the whole HIV proteome. In contrast with a commonly held view, we found that the relative number of HIV-specific CD8$^+$ T-cell responses (response breadth) changed little over the course of infection (first 400 days post-infection), with moderate but statistically significant changes occurring only during the first 35 symptomatic days. This challenges the idea that a change in the T-cell response breadth over time is responsible for the slow speed of viral escape from CD8$^+$ T cells in the chronic infection. The breadth of HIV-specific CD8$^+$ T-cell responses was not correlated with the average viral load for our small cohort of patients. Metrics of relative immunodominance of HIV-specific CD8$^+$ T-cell responses such as Shannon entropy or the Evenness index were also not significantly correlated with the average viral load. Our mathematical-model-driven analysis suggested extremely slow expansion kinetics for the majority of HIV-specific CD8$^+$ T-cell responses and the presence of intra- and interclonal competition between multiple CD8$^+$ T-cell responses; such competition may limit the magnitude of CD8$^+$ T-cell responses, specific to different epitopes, and the overall number of T-cell responses induced by vaccination. Further understanding of mechanisms underlying interactions between the virus and virus-specific CD8$^+$ T-cell response will be instrumental in determining which T-cell-based vaccines will induce T-cell responses providing durable protection against HIV infection.

Process simulation represents an important tool for plant design and optimisation, either applied to well established or to newly developed processes. Suitable thermodynamic packages should be selected in order to properly describe the behaviour of reactors and unit operations and to precisely define phase equilibria. Moreover, a detailed and representative kinetic scheme should be available to predict correctly the dependence of the process on its main variables. This review points out some models and methods for kinetic analysis specifically applied to the simulation of catalytic processes, as a basis for process design and optimisation. Attention is paid also to microkinetic modelling and to the methods based on first principles, to elucidate mechanisms and calculate thermodynamic and kinetic parameters. Different case histories support the discussion. At first, we have selected two basic examples from the industrial chemistry practice, e.g. ammonia and methanol synthesis, which may be described through a relatively simple reaction pathway. Then, a more complex reaction network is deeply discussed to define the conversion of bioethanol into syngas/hydrogen or into building blocks, such as ethylene.

: Exploiting the relationship between the stacking modes of molecules and room-temperature phosphorescence (RTP) performance is of great important to design afterglow materials. A series of coordination polymers base on carbazole–isophtalic acid are synthesized. These compounds exhibit stacking-dependent RTP. It reveals that the phosphorescence efficiency is not proportional to the overlap of p–p stacking, the triplet excited states of discrete dimer mode rather than H-aggregation can dominate the generation of room-temperature phosphorescence. Besides, compounds 1 and 2 exhibit obvious time-dependent RTP with the afterglow color from orange to green, and show white-light emission owing to fluorescence and phosphorescence dual emission. These results indicate that coordination induction is an efficient approach to regulate the aggregation of chromophores, further modulate the room-temperature phosphorescence.

In this review, the author shows that ferritin has documented quantum dot material properties that have been reported in numerous independent studies and can generate coherent electron conduction bands over substantial distances, using quantum coherence. In addition, neuromelanin is a conjugated polymer, and quantum dot/conjugated polymer combinations have been reported in numerous independent studies to generate coherent electron conduction bands for solar photovoltaic applications. Both ferritin and neuromelanin are present in large quantities in the dopamine neurons of the substantia nigra pars compacta and the norepinephrine neurons of the locus coeruleus. The unique structure of subgroups of these neurons that have a large number of axon branches and synapses appears to have evolved to take advantage of these coherent electron conduction bands to coordinate conscious action. Independent clinical and laboratory studies are also reviewed that corroborate this theory of coordinated action in these neuron groups. Proposed research to validate the theory using an existing fluorescent probe material is proposed.

Abstract Antibacterial activities can be improved using mixed ligands. Mixed ligands involved in this research are sodium sulfadiazine (Na-sfz) and dithiocarbamate (ai-dtc). One-pot synthesis was used to synthesize ligand of aniline dithiocarbamate (ai-dtc) and the corresponding coordination compounds of [VO(sfz)(ai-dtc)] and [Zn(sfz)(ai-dtc)]. Crystals of ai-dtc, which grew from the solution when refrigerated after five days, were diffracted with technique of single crystal x-ray crystallography to reveal the structure. Other characterization techniques involving physicochemical parameters, FT-IR, UV-Vis and NMR (1H NMR and 13C NMR) were carried out on ligands of ai-dtc, sfz and corresponding coordination compounds. Differences in results of FT-IR, UV-Vis and NMR between ligands and their respective metal ions confirmed the coordination. The in vitro antibacterial studies showed that the ligands (not the metal complexes) had modest activity against Gram negative bacteria: Staphylococcus aureus, whereas, the coordination compounds had modest activities against the Gram negative bacteria: Escherichia coli and Pseudomonas aeruginosa.