Fourier Transform Infrared Spectroscopy (FTIR), provides valuable biochemical information for biomedical analysis. It aids in identifying cancerous tissues, diagnosing diseases like acute pancreatitis or Alzheimer's, and has applications in genomics, proteomics, and metabolomics. A combination of FTIR and chemometrics constitute an approach that shows promise in fields like biology, forensics, food quality control, and plant variety identification. The study aims to explore the feasibility of ATR-FTIR spectroscopy for identifying ABO-blood types using spectroscopic tools. We employ various classifying algorithms, including Linear Discriminant Analysis (LDA), Naïve Bayes Classifier (NBC), Principal Component Analysis (PCA), and combinations of these methods, to detect A and B antigens and determine the ABO blood type. The results show that these algorithms predict the blood type to a greater extent than random selection, although they do not match the precision of biochemical blood typing tools. Additionally, our findings suggest a higher sensitivity of the methodology in identifying B antigens compared to A antigens.

Forensic assessments may involve the sampling of textile fibers when examining crime scenes. The need to characterize and identify those fibers is crucial as they can provide extensive information relating to a crime, linking a suspect to a location. Fibers in particular may contain issues in terms of both size and quantity of sample, and micro Fourier transform Infrared in attenuated total reflectance mode (micro FTIR-ATR) spectroscopy presents a non-destructive method to identify those fibers. In this study we carried out a rapid forensic assessment via micro FTIR-ATR of sixty textile fibers recovered from twenty white fabrics relying on tape lifting method, in order to discriminate those materials. Two dimensional principal component analysis and radar chart were applied to enhance the visual comparison of the fibers. Results of infrared spectra revealed that the technique allows the discrimination of textile fibers according to their spectral composition (cellulose, polyamide, polyester, or mixture of these composites) and to some characteristics, as number and width of peaks, peak position according to the wavenumber, absorbance index related to peak sharpness, etc. The technique was deemed useful in the forensic assessment of the fibers, presenting rapid and enlightening results.

Acne vulgaris is a chronic skin disease, which occurs due to inflammation of the hair follicles and sebum producing (sebaceous) glands of the skin called pilosebaceous unit and the anaerobic propionic acne bacterium, P.acne. Human sebum is dominantly made up of 57.5% of triglycerides and fatty acids, 26%wax esters, 12% Squalene and 4.5% Cholesterol. The increased level Androgen hormone, sebum lipid composition, P.acne over growth which induces monocytes and pro inflammatory cytokines attracts neutrophils, basophils, and T cells to the pilosebaceous unit and drive epithelial hyper proliferation i.e., Acne vulgaris. The actual biomolecular changes due to acne vulgaris disease are present in the blood, in the sebum, and in the noninvasive sample of human scalp hair follicles. The main objectives of the present study are to analyze human scalp hair follicles samples using FTIR-ATR spectroscopy to compare and discriminate the spectral signatures of acne vulgaris and healthy scalp hair tissue samples through acne biomarkers Protein, Amide I, Amide II and Squalene (LDL), using the method of internal ratio parameters. This work represents a first step in the development of an analytical tool for future drug development.

Platinum(II) complexes have been found to be effective against cancer cells. Cisplatin curbs cell replication by interacting with the deoxyribonucleic acid (DNA), eventually leading to cell death and reducing cell proliferation. In order to investigate the ability of platinum complexes to affect cancer cells, two examples from the class of polyflurophenylorganoamidoplatinum(II) complexes were synthesised and tested on isolated DNA. The two compounds trans-[N,N’-bis(1,2,3,5,6-pentafluorophenyl)ethane-1,2-diaminato(1-)](2,3,4,5,6-pentafluorobenzoato)(pyridine)platinum(II) (PFB), and trans-[N,N’-bis(1,2,3,5,6-pentafluorophenyl)ethane-1,2-diaminato(1-)](2,4,6-trimethylbenzoato)(pyridine)platinum(II) (TMB) were compared with cisplatin through their reaction with DNA. Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR) spectroscopy was applied to analyse the interaction of the Pt^(II) complexes with DNA in the hydrated, dehydrated and rehydrated state. These were compared with control DNA in acetone/water (PFB, TMB) and isotonic saline (cisplatin) under the same conditions. Principle Component Analysis (PCA) was applied to compare the ATR-FTIR spectra of the untreated control DNA with spectra of PFB and TMB treated DNA samples. Disruptions in the conformation of DNA treated with the Pt^(II) complexes upon rehydration were mainly observed by monitoring the position of the IR-band around 1711 cm^-1 assigned to the DNA base-stacking vibration. Furthermore, other intensity changes in the phosphodiester bands of DNA at ~1234 cm^-1 and 1225 cm^-1 and shifts in the dianionic phosphodiester vibration at 966 cm^-1 were observed. The isolated double stranded DNA (dsDNA) or single stranded DNA (ssDNA) showed different structural changes when incubated with the studied compounds. PCA confirmed PFB had the most dramatic effect by denaturing both dsDNA and ssDNA. Both compounds, along with cisplatin, induced changes in DNA bands at 1711, 1088, 1051 and 966 cm^-1 indicative of DNA conformation changes. The ability to monitor conformational change with infrared spectroscopy paves the way for a sensor to screen for new anticancer therapeutic agents.

Recognition, decoding and tracking of vortex patterns is of increasing importance in many fields reaching from astronomical observation of distant galaxies to turbulence phenomena in liquids or gases. Currently, coherent light beams with orbital angular momentum (OAM) are of particular interest for optical communication, metrology, micro-machining or particle manipulation. One common task is to identify characteristic spiral patterns in pixelated intensity maps at real-world signal-to-noise ratios. Recently, Fast Fourier Transform (FFT) was applied to the quantitative analysis of spiral interference patterns of OAM beams. Our study considers this approach in more detail. It is demonstrated that specific information can be extracted by combining conformal mapping by polar transform with determining one- or two-dimensional angular frequency spectra either in spatially fixed or scanning mode. Results of proof-of-principle experiments are presented.

Vibrational spectroscopies (FTIR, Raman) are exceptionally valuable tools for the identification and crystal-chemical study of fibrous minerals, and asbestos amphiboles in particular. Raman spectroscopy has been widely applied in toxicological studies and thus a large corpus of reference data on regulated species is found in the literature. However, FTIR spectroscopy has been mostly used in crystal-chemical studies and very few data are found on asbestos amphiboles. This paper is intended to fill this gap; we report new FTIR data collected on a suite of well-characterized samples of the five regulated amphibole species: anthophyllite, amosite and crocidolite, provided by the Union for International Cancer Control (UICC) Organization, and tremolite and actinolite, from two well-known occurrences. The data from these reference samples have been augmented by results from additional specimens to clarify some aspects of their spectroscopic features. We show that the FTIR spectra in both the OH-stretching region and in the lattice modes region can be effective for rapid identification of the asbestos type.

One mechanism by which fructose could exert deleterious effect in metabolism and inflammation is via its potency vis-à-vis de Maillard reaction. We employed simulated stomach and duodenum digestion of ovalbumin to test the hypothesis that indeed AGEs are formed by fructose during simulated digestion of an ubiquitous food protein with intrinsic allergenic potential and under model physiological conditions. Methods: OVA was subjected to simulated gastric and intestinal digestion using standard models, in presence of fructose or glucose (0-100 mM). Peptide fractions were analyzed by fluorescence spectroscopy and intensity at Excitation: λ370 nm, Emission: λ 440nm. Results: AGE adducts form between fructose and OVA which can be found in peptide fractions (< 5 kDa) at times (30 min) and concentration ranges (10 mM) plausibly found in the intestines, whereas no reaction occurs with glucose. The reaction is inhibited by chlorogenic acid at concentrations compatible with those found in the gut. The reaction is inhibited by AG, a specific antiglycation agent. Conclusion: Our proof of principle study shows that fructose-AGE formation on an ubiquitous allergenic protein indeed occurs in one hour and thereby may pave the way for the study of yet another mechanism by which the excess fructose in our Western diets is contributing to disease: intestinal AGE formation, absorption and RAGE engagement.

Virgin coconut oil (VCO) is a functional food with important health benefits. Its economic interest encourages fraudsters to deliberately adulterate VCO with cheap and low-quality vegetable oils for financial gain, causing health and safety problems for consumers. In this context, there is an urgent need for rapid, accurate and precise analytical techniques to detect VCO adulteration. In this study, the use of Fourier Transform Infrared (FTIR) spectroscopy combined with Multivariate Curve Resolution - Alternating Least Squares (MCR-ALS) methodology was evaluated to verify purity or adulteration of VCO with reference to several low-cost commercial oils such as sun-flower, maize and peanut oils. Control charts were developed to assess the purity of oil samples using MCR-ALS scores values calculated from a data set of pure and adulterated oils. In addition, quantification models were developed using MCR-ALS with correlation constraint for adulterated coconut oil to assess the blend composition. Different data pre-treatment strategies were tested in order to best extract the information contained in the sample fingerprints, and the calibration models were optimised using a genetic algorithm (GA) to select the most important variables. The models gave satisfactory results in external validation procedure, with absolute errors of less than 4.6 % for samples adulterated with sunflower, maize and peanut oils.

Anaerobic digestion is a biological process that transforms high-strength organic effluents into biogas with multiple benefits. However, concurrent with organics' biological transformation, a liquid phase with a high solid content is also derived from this process. Valorizing this fraction is not an easy task if an agronomic application cannot be considered as a suitable option. The thermal valorization of this fraction allows for energy extraction, but also gives rise to additional capital investment and increases the energy demand of the global process. In addition, the thermal treatment of digestate has to deal with a mineralized material. The changes in organic matter due to anaerobic stabilization were studied in the present manuscript, by evaluating the thermal behavior of samples, activation energy and organic transformation using FTIR spectroscopy. Digested samples of a mixture composed of manure and glycerin (5% v/v) were studied. The stabilization caused a dramatic decrease in aliphatic compounds, greatly increasing the mineral content of the sample. Thermal valorization of digestates must consider the lower energy content and more complex structure of these materials, with higher content of lignin and protein-type compounds.

Crystalline silver thin layers were obtained by high-energy pulsed laser ablation without heating of the deposition substrate. The fluid Plateau-Rayleigh (PRI), Rayleigh – Taylor (RTI) and Richtmyer – Meshkov (RMI) instabilities, as well as crown splash induced during pulsed laser deposition (PLD) in high energy regime, resulting in ring and pearl shaped structures, offer the benefit of increased sorption surface. These morphological structures obtained for the silver thin layers make them of interest for catalytic applications. The study presented with this work addresses both the fundamental and applied issues on the morphological structures obtained for the silver thin layer and their catalytic function in organic processes. In this sense, the catalytic action of the thin silver layer was highlighted by modifications of the Reactive Blue 21 dye (C.I.) in aqueous solution with sodium bicarbonate. Specific investigations and analyzes were carried out by electron microscopy and elemental analysis (SEM-EDX), atomic force microscopy (AFM) and profilometry, mass spectrometry, ablation plasma diagnosis, diffractograms (XRD), as well as IR spectroscopy (FTIR). In addition to the experimental investigation and analyzes, simulation of the ionization energy threshold was conducted in COMSOL for complementary evaluation on the involved processes and phenomena.

In this study a material based on Polyethylene (PE) and Microcrystalline Cellulose (MC) was developed as a breathable packaging film. Surface functionalization of MC with 3 aminopropyltriethoxysilane (APTES) shows to be an efficient alternative to tailor their properties and increase opportunities for the application of MC on the reinforcement of polymers such polyethylene (PE). Functionalization of MC with mentioned silane derivative was achieved using a green method and later used on the development of composites with PE in three percentages (1, 3 and 5%). All the materials were prepared by melt blending and characterized, in terms of structural properties (ATR-FTIR and FTIR in transmittance, EDX, SEM), thermal properties (DSC and TGA), thermomechanical properties (DMA), contact angle measurements and permeability to oxygen and water vapor. The materials demonstrated to have potential to be used as breathable film packaging of fresh products.

The aim of this work is research dedicated to the search for new bactericidal systems for use in cosmetic formulations, dermocosmetics, or the production of wound dressings. Over the last two decades chitosan due to its special biological activity, has become a highly indispensable biopolymer with very wide application possibilities. Literature reports on the antibacterial effects of chitosan are very diverse, but our research has shown that they can be successfully improved through chemical modification. Therefore, in this study, results on the synthesis of new Schiff bases chitosan – dCsSB-SFD and dCsSB-PCA obtained using two aldehydes: sodium 4-formylbenzene-1,3-disulfonate (SFD) and 2-pyridine carboxaldehyde (PCA) respectively. Chitosan derivatives synthesized in this way demonstrate stronger antimicrobial activity. Carrying out the procedure of grafting chitosan with a caproyl chain allowed obtaining compatible blends of chitosan derivatives with κ-carrageenan, which are stable hydrogels with a high swelling coefficient. Furthermore, covalently bounded PCL improved the solubility of obtained polymers in organic solvents. With this respect, the Schiff base-containing polymers obtained in this study, with special hydrogel and antimicrobial properties are very promising materials for the potential use as a controlled-release formulation of both, hydrophilic and hydrophobic drugs in cosmetic products for skin health.

The aim of this study was utilization of ground tea waste (GT) left after brewing the black tea as a biofiller of natural rubber (NR) composites. Ionic liquids (ILs), i.e., 1-ethyl-3-methylimidazolium lactate and 1-benzyl-3-methylimidazolium chloride, often used to extract phytochemicals from tea, were applied to improve the dispersibility of GT particles in elastomeric matrix. The influence of GT loading and ILs on curing characteristics, crosslink density, mechanical properties, thermal stability and resistance of NR composites to thermo-oxidative aging was investigated. The amount of GT did not significantly affect curing characteristics and crosslink density of NR composites, but had serious impact on tensile properties. Applying 10 phr of GT improved the tensile strength by 40% compared to unfilled NR. Further increasing in GT content worsened the tensile strength due to the agglomeration of biofiller in elastomer matrix. ILs significantly improved the dispersion of GT particles in elastomer and increased the crosslink density by 20% compared to the benchmark. Owing to the poor thermal stability of pure GT, it reduced the thermal stability of vulcanizates compared to unfilled NR. Most importantly, GT-filled vulcanizates showed improved resistance to thermo-oxidative aging, since the aging factor increased by 25% compared to the unfilled vulcanizate.

A hybrid material, consisting of commercially available nitrocellulose (NC) membrane non-covalently modified with amino-polyethylene glycol functionalized reduced graphene oxide (NH2-PEG-rGO) nanoparticles, was successfully synthesized for oligonucleotide extraction. Fourier Transform Infrared Spectroscopy (FTIR) confirmed the modification of the NC membrane, revealing characteristic peaks of both compounds NC and NH2-PEG-rGO. Scanning Electron Microscopy (SEM) exhibited morphological changes in the NC/NH2-PEG-rGO hybrid membrane, marked by the introduction of NH2-PEG-rGO particles, resulting in a distinctly smothered surface compared to the porous surface of the NC control membrane. Wettability assays revealed hydrophobic behavior for the NC/NH2-PEG-rGO hybrid membrane, with a water contact angle exceeding 90°, contrasting with the hydrophilic behavior characterized by a 16.7° contact angle in the NC membrane. The performance of the NC/NH2-PEG-rGO hybrid membrane was evaluated for the extraction of ssDNA with fewer than 50 nucleotides from solutions containing various ionic species (MnCl2, MgCl2, and MnCl2/MgCl2). The NC/NH2-PEG-rGO hybrid membrane exhibited optimal performance when incubated in MgCl2, presenting the highest fluorescence emission at 525 relative fluorescence units (r.f.u.). This corresponds to the extraction of approximately 610 pg (≈13%) of the total oligo-DNA, underscoring the efficacy of the pristine material, which extracts 286 pg (≈6%) of oligo-DNA in complex solutions.

A partial least squares (PLS) quantitative chemometric method based on the analysis of the MID-FTIR spectrum of polymer inclusion membranes (PIMs) used for the extraction of Cr(VI) from aqueous media is developed. The system previously optimized considering the variables membrane composition, extraction time, and pH, is characterized in terms of its adsorption isotherm, distribution coefficient, extraction percent and enrichment factor. A Langmuir type adsorption behavior with KL = 21.99 L/mg, qmax = 0.242 mmol/g and 0&lt;RL&lt;1, indicates that metal adsorption is favorable. The characterization of the extraction reaction is performed as well showing an 1:1 Cr(VI):Aliquat 336 ratio, in agreement with solvent extraction data. The principal component analysis (PCA) of the PIMs revels a complex pattern, which is satisfactorily simplified and related to Cr(VI) concentrations through the use of a variable selection method (iPLS) in which bands in the ranges 3451–3500 cm-1 and 3751–3800 cm-1 are chosen. The final PLS model including the 100 wavelengths selected by iPLS and 10 latent variables shows excellent parameter values with RMSEC: 3.73115, RMSECV: 6.82685, Bias: -1.91847e-13, CV Bias: 0.185947, R2 Cal: 0.98145, R2 CV: 0.940902, recovery%: 104.02 ± 4.12 (=0.05), sensitivity%: 0.001547 ppb, γ: 3.8 ppb, γ- 1: 0.6 ppb-1, selectivity: 0.0155, linear range: 5.8–100 ppb, LD: 1.9 ppb, and LQ: 5.8 ppb. The developed PIM sensor is easy to implement as it requires few manipulations and reduced number of chemical compounds in comparison to other similar reported systems.

To better understand the shape memory materials and self-healing materials, a new series of liquid-crystalline shape memory polyurethane (LC-SMPU) composites, named SMPU-OOBAm, were successfully prepared by incorporating 4-octyldecyloxybenzoic acid (OOBA) into the PEG-based SMPU. The effect of OOBA on the structure, morphology and properties has been carefully investigated. The results demonstrate that SMPU-OOBAm have liquid crystalline properties, triple-shape memory properties and self-healing properties. The incorporated OOBA promotes the crystallizability of both soft and hard segments of SMPU, and the crystallization rate of the hard segment of SMPU decreases when the OOBA-content increases. Additionally, the SMPU-OOBAm forms a two-phase separated structure (SMPU phase and OOBA phase), and it shows two-step modulus changes upon heating. Therefore, the SMPU-OOBAm shows triple-shape memory behavior, and the shape recovery ratio decreases with an increase in the OOBA content. Finally, SMPU-OOBAm shows self-healing properties. The new mechanism can be ascribed to the heating-induced “bleeding” of OOBA in the liquid crystalline state and the subsequent re-crystallization upon cooling. This successful combination of liquid crystalline properties, triple-shape memory properties and self-healing properties make the SMPU-OOBAm composites with many promise applications in smart optical devices, smart electronic devices and smart sensors.

We introduce a series of twisted donor-acceptor (D-A) carbazole-benzophenone based electroactive bipolar derivatives that were synthesized through the reaction of 4-fluorobenzophenone with various partially alkylated 3,3’-bicarbazoles. The comprehensive structural characterization of these compounds is provided. These amorphous materials exhibit suitable glass transition temperatures ranging from 57 to 102 °C and demonstrate high thermal stability, with decomposition temperatures reaching 400 °C. Moreover, the developed materials exhibit elevated photoluminescence quantum yields (PLQY) of up to 75.5% and favorable HOMO-LUMO levels, along with suitable triplet-singlet state energy values. Due to their good solubility and suitable film-forming properties, all the compounds were evaluated as blue emitters dispersed in 4,4’-bis(N-carbazolyl)-1,10-biphenyl (CBP) host for the fabrication of organic light-emitting diodes (OLEDs) in concentration dependent experiments. Among these experiments, the device containing 15 wt% of the guest 4-(9’-{2-ethylhexyl}-[3,3’]-bicarbazol-9-yl)benzophenone demonstrated the best characteristics, achieving maximum brightness of 3581 cd/m2, current efficiency of 5.7 cd/A, power efficiency of 4.1 lm/W and external quantum efficiency of 2.7%.

Cultivated adlay or Job’s tear (Coix lacryma-jobi L.) is an important food crop having numerous therapeutic and nutraceutical health benefits. Our study aimed to determine nutrients, minerals, fatty acid composition, and functional groups of seven wild Adlay accessions (brown, black, yellow, grey, green, off-white, and purple) to find out their scope as cereal crops using simple, rapid, and modern analytical techniques. Results revealed variations among bulk densities, specific densities, percent empty spaces, and corresponding grain counts per 10g of sample are valuable characteristics in distinguishing the accessions. Contents of fat, protein, ash, and fibre were found to be comparable to cultivated Adlay. Brown adlay was measured with the highest protein, fat, and fibre contents, 15.82%, 4.76% and 2.37%, respectively. Phosphorus, potassium, calcium, and sodium ranged 0.3% - 2.2%, whereas boron, iron, copper, zinc, and manganese were in the range 1.6mg/kg - 20.8mg/kg. Wild adlay triglyceride composition constituted of polyunsaturated fatty acids as primary fraction followed by olein and palmitic acid as prominent fatty acids. Distinguishing functional groups expressed infra-red frequencies in narrow bands and fingerprint region of proteins associated with out-of-plane region evident structural differences among adlay accessions. Frequency of functional groups in seven accessions indicated black genotype promising for varietal development.

Displacement mapping is a computer graphics technique that enables the design of components with regularly or randomly textured surfaces that can be quickly materialized on a three-dimensional (3D) printer when needed. This approach is in principle more flexible, faster and more economical compared to conventional texturing methods, but the accuracy of the texture depends heavily on the parameters used. The purpose of this study is to demonstrate how to produce a surface-textured part using polygonal (mesh) modeling software and a photopolymerizable resin, and to develop a universal methodology to predict the dimensional accuracy of the model file log combined with a resin 3D printer. The printed components were characterized on a scanning confocal microscope. In the setup used in this study, the mesh size had to be reduced to 10% of the smallest feature size and the textured layer had to be heavily (x4) overexposed to achieve the desired accuracy. As a practical application, two functional stamps with a regular (honeycomb) and a random texture, respectively, were successfully manufactured. The insights gained will be of great benefit in quickly and cost-effectively producing components with innovative patterns and textures for a variety of hobby, industrial and biomedical applications.

The present investigation highlights the synthesis of polyaniline (PANI) coated graphene oxide doped with SrTiO3 nanocube nanocomposites through facile in-situ oxidative polymerization method for the efficient removal of carcinogenic dyes, namely, the cationic dye methylene blue (MB) and the anionic dye methyl orange (MO). The synthesised nanocomposites were characterised by field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), thermogravimetric analysis (TGA), X-ray diffraction (XRD), and Fourier transform infrared spectroscopy (FTIR). The adsorption efficiencies of graphene oxide (GO), PANI homopolymer and SrTiO3 nanocubes-doped nanocomposites were assessed by monitoring the adsorption of methylene blue and methyl orange dyes from aqueous solution. The adsorption efficiency of nanocomposites doped with SrTiO3 nanocubes were found to be of higher magnitude as compared with undoped nanocomposite. Moreover, the nanocomposite with 2 wt% SrTiO3 with respect to graphene oxide demonstrated excellent adsorption behaviour with 99% and 91% removal of MB and MO respectively, in a very short duration of time.

The aim of this study was to examine the oxidation of human serum albumin (HSA) caused by oxidative stress after an exhaustive exercise such as ultra-marathon race. Thus, blood samples from 12 adult runners who underwent a 103 km mountain ultra-marathon race were collected pre- and 24, 48 and 72 h post race. HSA was partially purified using affinity chromatography and then was subjected to Western blot analysis for disulfide dimers determination, indicating oxidation. The results were correlated with those from a previous study in which the same samples were analyzed using different oxidative stress markers and a good correlation with protein carbonyls (PC) at all time points was observed. Moreover there was a significant correlation with static oxidation-reduction potential (sORP) at 24 h, and a negative correlation with capacity oxidation-reduction potential (cORP) at 24 and 48 h. In addition, an individual analysis of albumin dimers exhibited great inter-individual differences. This inter-individual variability in the oxidation of HSA may suggest different interventions (e.g. through diet) in order to confront the effects on athletes’ organism after a strenuous exercise. In conclusion, this study supported the importance of the assessment of albumin dimers as a predictive marker for exercise-induced oxidative stress.

Ti and its alloys are the most commonly used materials for biomedical applications. However, bacterial infection after implant placement is still one of the significant rising complications. Therefore, the application of the antimicrobial agents into implant surfaces to prevent implant-associated infection has attracted lots of attention. Scientific papers have shown that inorganic antibacterial metal element (e.g. Ag, Cu, Zn) can be introduced to implant surfaces with the addition of metal nanoparticles or metallic compounds into electrolyte via micro-arc oxidation (MAO) technology. In this review, the effects of the composition and concentration of electrolyte and process parameters (e.g. voltage, current density, oxidation time) on morphological characteristics (e.g. surface morphology, bonding strength), antibacterial ability and biocompatibility of MAO antimicrobial coating were discussed in detail. Anti-infection and osseo-integration can be simultaneously accomplished with the selection of the proper antibacterial elements and operating parameters. Besides, MAO assisted by magnetron sputtering (MS) to endow Ti-based implant materials with superior antibacterial ability and biocompatibility was also discussed. Finally, the development trend of MAO technology in the future was forecasted.

The chiral optical Tamm state (COTS) is a special localized state at the interface of a handedness-preserving mirror and a structurally chiral medium such as a cholesteric liquid crystal or a chiral sculptured thin film. The spectral behavior of COTS, observed as reflection resonances, is described by the temporal coupled-mode theory. Mode coupling is different for two circular light polarizations because COTS has a helix structure replicating that of the cholesteric. The mode coupling for co-handed circularly polarized light exponentially attenuates with the cholesteric layer thickness since the COTS frequency falls into the stop band. Cross-handed circularly polarized light freely goes through the cholesteric layer and can excite COTS when reflected from the handedness-preserving mirror. The coupling in this case is proportional to anisotropy of the cholesteric and theoretically it is only anisotropy of magnetic permittivity that can ultimately cancel this coupling. These two couplings being equal results in a polarization crossover (the Kopp--Genack effect) for which a linear polarization is optimal to excite COTS. The corresponding cholesteric thickness and scattering matrix for COTS are generally described by simple expressions.

A lead zirconate titanate [PZT;Pb(Zr_0.52Ti_0.48)O₃] layer embedded infrared (IR) detector decorated with wavelength-selective plasmonic crystals has been investigated for high-performance non-dispersive infrared (NDIR) spectroscopy. A plasmonic IR detector with an enhanced IR absorption band has been designed based on numerical simulations, fabricated by conventional microfabrication techniques, and characterized with a broadly tunable quantum cascade laser. The enhanced responsivity of the plasmonic IR detector at specific wavelength band has improved the performance of NDIR spectroscopy and pushed the limit of detection (LOD) by an order of magnitude. In this paper, a 13 fold enhancement in the LOD of a methane gas sensing using NDIR spectroscopy is demonstrated with the plasmonic IR detector.

Diesel is consistently a very popular fuel for internal combustion engines. Its consumption in the European Union has been rising over recent years, as has the number of engines increasingly sensitive to fuel contamination. One of the most important parameters affecting diesel quality is water content. Although its exceedances of the standard’s permissible amount are not common, they carry the risk of serious damage to expensive, modern fuel injection systems. Current methods of measuring water content require both specialised personnel and equipment, as well as transporting the sample to a suitable laboratory. The research presented in this paper was aimed at verifying whether it would be possible to test the moisture content of diesel using impedance spectroscopy. Once refined, such measurement method could be used in situ. Analysing the properties of diesel is challenging, mainly because many types of the fuel are sold, the chemical composition of which is always a well-guarded manufacturer’s secret. The experimental results obtained on many types of commercially available diesel show that it is possible to use impedance spectroscopy to estimate the water content of different types of diesel fuel. The measurement accuracy achieved makes it possible to detect approaching or exceeding the permissible water content.

Graphene hybrid-filler polymer composites have emerged as prominent materials that revolutionize heavy industries. This study encapsulates the in-depth analysis of different influential factors such as filler/graphene type, aspect ratios, dispersion methods, filler-matrix compatibility, fiber orientation, synergistic effects, different processing techniques, and post-curing conditions that affect the processing, properties and determine the resultant applications of graphene hybrid polymer composites. Additionally, it discusses the substantial role of graphene collaboration with other fillers such as carbon nanotubes, silica, nano-clays and metal oxides to produce functionalized hybrid polymer composites with synergistically enhanced tailored properties to offer solutions for heavy industries like aerospace, automotive, electronics, and energy harvesting. The review concludes with some suggestions and outlook on the future of these composite materials by emphasizing the need for continued research to fully optimize their potential.

The susceptible-infected-recovered-vaccinated-deceased (SIRVD) epidemic compartment model extends the SIR model to include the effects of vaccination campaigns and time-dependent fatality rates on epidemic outbreaks. It encompasses the SIR, SIRV, SIRD, and SI models as special cases, with individual time-dependent rates governing transitions between different fractions. We investigate a special class of exact solutions and accurate analytical approximations for the SIRVD and SIRD compartment models. While the SIRVD and SIRD equations pose complex integro-differential equations for the rate of new infections and the fractions as a function of time, a simpler approach considers determining equations for the sum of ratios for given variations. This approach enables us to derive fully exact analytical solutions for the SIRVD and SIRD models. For nonlinear models with a high-dimensional parameter space, such as the SIRVD and SIRD models, analytical solutions, exact or accurately approximative, are of high importance and interest: not only as suitable benchmarks for numerical codes, but especially as they allow us to understand the critical behavior of epidemic outbursts as well as the decisive role of certain parameters. In the second part of our study, we apply a recently developed analytical approximation for the SIR and SIRV models to the more general SIRVD model. This approximation offers accurate analytical expressions for epidemic quantities, such as the rate of new infections and the fraction of infected persons, particularly when the cumulative fraction of infections is small. The distinction between recovered and deceased individuals in the SIRVD model affects the calculation of the death rate, which is proportional to the infected fraction in the SIRVD/SIRD cases but often proportional to the rate of new infections in many SIR models using a posteriori approach. We demonstrate that the temporal dependence of the infected fraction and the rate of new infections differs when considering the effects of vaccinations and when the real-time dependence of fatality and recovery rates diverge. These differences are highlighted for stationary ratios and gradually decreasing fatality rates. \Revised{The case of stationary ratios allows one to construct a new powerful diagnostics method to extract analytically all SIRVD model parameters from measured COVID-19 data of a completed pandemic wave.

Requirements are predominantly written in Natural Language (NL), which makes them accessible to stakeholders with varying degrees of experience, as compared to a model-based language which requires special training. However, despite its benefits, NL can introduce ambiguities and inconsistencies in requirements, which may eventually result in system quality degradation and system failure altogether. The system complexity that characterizes current systems warrants an integrated and comprehensive approach to system design and development. This need has brought about a paradigm shift towards Model-Based Systems Engineering (MBSE) approaches to system design and a departure from traditional document-centric methods. While, MBSE shows great promise, the ambiguities and inconsistencies present in NL requirements hinder their conversion to models directly. The field of Natural Language Processing (NLP) has demonstrated great potential in facilitating the conversion of NL requirements into a semi-machine-readable format that enables their standardization and use in a model-based environment. A first step towards standardizing requirements consists of classifying them according to the ``type'' (design, functional, performance, etc.) they represent. To that end, a language model capable of classifying requirements needs to be fine-tuned on labeled aerospace requirements. This paper presents the development of an annotated aerospace requirements corpus and its use to fine-tune BERT$_\text{BASE-UNCASED}$ to obtain aeroBERT-Classifier: a new language model for classifying aerospace requirements into design, functional, or performance requirements. A comparison between aeroBERT-Classifier and bart-large-mnli (zero-shot text classification) showcased the superior performance of aeroBERT-Classifier on classifying aerospace requirements despite being fine-tuned on a small labeled dataset.

Fourier transform infrared (FTIR) absorption spectroscopy of cold molecules and clusters in supersonic slit jet expansions complements and extends more sensitive action spectroscopy techniques and provides important reference data for the latter. We describe how its major drawback, large substance and carrier gas consumption, can be alleviated by one to two orders of magnitude via direct and continuous recycling of the gas mixture. This is achieved by a combination of dry rotary lobe and screw pump compression. The signal-to-noise ratio is boosted by the established buffered giant gas pulse technique with full interferogram synchronization. The buildup of water impurities typically limits the recycling gain, but is turned into a feature for the study of hydrate complexes of volatile molecules. Continuous operation with a single gas filling over several days becomes practical and useful. Decadic absorbances in the low ppm range are detectable and the mid infrared range can be recorded simultaneously with the near infrared. The less straightforward hydration number assignment of spectral features in direct absorption spectroscopy is supported by a gradual water buildup at a rate of less than 0.5 mg/h. A recent reassignment proposal for the water dimer OH stretching spectrum is refuted and vibrational spectra of vacuum-isolated 18O-water clusters are presented for the first time. Methanol docking on asymmetric ketones is used to illustrate the advantages and limitations of the recycling concept. Previous assignments of the hydrate complex of 1-phenylethanol are confirmed. Additional features of the setup await testing and refinement, but the recycling technique already substantially widens the applicability of direct absorption spectroscopy of neutral molecular clusters. It may be attractive for other high-throughput jet spectrometers.

The incremental sheet forming represents a relatively recent technology that guarantees high customization, thanks to the layered manufacturing principle typical of rapid prototyping, and cost-effectiveness, because it does not require dedicated equipment. Research has initially shown that this process is effective in metal materials capable of withstanding plastic deformation but, in recent years, the interest in this technique has been increasing for the manufacture of complex polymer sheet components as an alternative to the conventional technologies, based on heating-shaping-cooling manufacturing routes. Conversely, incremental formed polymer sheets can suffer from some peculiar defects, for example twisting. To reduce the risk of this phenomenon and the occurrence of failures, a viable way is to choose toolpath strategies that make the tool/sheet contact conditions less severe, and this represents the main goal of the present research. Polycarbonate sheets were worked by incremental forming; in detail, cone frusta with a fixed wall angle were manufactured with a reference and a stair toolpath strategy, and both the forming forces and the twist angle were monitored. The analysis of the results highlighted that a stair toolpath involving an alternation of diagonal up and vertical down steps represents a useful strategy to mitigate the forming forces and, with them, the occurrence of the twisting phenomenon in incremental formed thermoplastic sheets.

Fingerprints are essential for human identification and are valuable tools in criminal investigations. The pursuit of new materials for digital printing is expanding, with increasing interest in natural compounds such as bixin, sourced from annatto seeds. Despite its traditional use as a natural dye with medicinal properties, the potential of bixin in papilloscopy remains largely untapped. In this study, we meticulously extracted bixin from annatto seeds and meticulously developed composites incorporating zinc carbonate (bixin/ZnCO3) and kaolinite (bixin/kaolinite). UV-visible spectroscopy was used for characterization, and the extracted bixin showed absorption peaks at 429, 453, and 481 nm, which were very similar to standard peaks at 429, 457, and 487 nm. The two samples also had the same retention times (7.07 min) according to further liquid chromatography analysis. Sweat pores were easier to detect thanks to the effectiveness of the bixin/ZnCO3 and bixin/kaolinite composites in creating high contrast sebaceous and natural latent fingerprints. These results highlight the composites’ potential as novel and fascinating instruments for papilloscopy applications, which might also improve forensic investigations.

Polymer inclusion membranes (PIMs), which contained cellulose tri-acetate used as a polymer base, a plasticizer in the form of o-NPOE, and meso-tetra methyl tetrakis-[methyl-2-(4-acetlphenoxy)] calix[4]pyrrole (KP) used as a carrier, were prepared and tested for the effective purification of aqueous solutions of methylene blue dye. The scanning electron microscope (SEM), thermogravimetric analysis (TGA), and attenuated total reflection Fourier transform infrared (ATR-FTIR) were used to define the microstructure and surface of PIMs. Experimental results showed that with the increased concentration of methylene blue in an aqueous solution, the removal percentage also increased. Further observation also showed that the flux increased with the rise of the source phase pH values from 3 to 10. The carrier and plasticizer content in the membrane significantly influenced the membrane’s transport properties. The optimal composition of the membrane in per cent by weight was for KP: 74% plasticizer; 18% support; 8% carrier. It was shown that the membrane with optimal composition showed good reusability and enabled the easy and spontaneous separation of methylene blue from aqueous solutions.

Given the high prevalence of cutaneous genus beta human papillomavirus (β-HPV) infections, it is important to understand how they are manipulating their host cells. This is particularly true for cellular responses to UV damage, since our skin is continually exposed to UV. The E6 protein from β-HPV (β-HPV E6) decreases the abundance of two essential UV-repair kinases (ATM and ATR). Since β-HPV E6 reduces their availability, the impact on downstream signaling events has been uncertain. We demonstrate that β-HPV E6 decreases ATM and ATR activation. This inhibition extended to XPA, an ATR target necessary for UV repair, lowering both its phosphorylation and accumulation. β-HPV E6 hinders POLη phosphorylation and foci formation, critical steps in translesion synthesis. ATM’s phosphorylation of BRCA1 is also attenuated by β-HPV E6. However, β-HPV E6’s hindrance of ATM/ATR signaling during UV-associated cell cycle arrest was incomplete. While there was less phosphorylation of immediate downstream targets (CHK1), events further down the cascade were not decreased. These observations are consistent with β-HPV infections making UV radiation more deleterious and support the proposed role of β-HPV in early stages of non-melanoma skin cancer development.

The increased complexity of modern systems is calling for an integrated and comprehensive approach to system design and development and in particular, a shift towards Model-Based Systems Engineering (MBSE) approaches for system design. The requirements that serve as the foundation for these intricate systems are still primarily expressed in Natural Language (NL), which can contain ambiguities and inconsistencies that hinder their direct translation into models. The colossal developments in the field of Natural Language Processing (NLP) in general and Large Language Models (LLMs) in particular can serve as an enabler for the conversion of NL requirements into semi-machine-readable requirements. This is expected to facilitate their standardization and use in a model-based environment. This paper discusses a two-fold strategy for converting NL requirements into semi-machine-readable requirements using language models. The first approach involves creating a requirements table by extracting information from free-form NL requirements. The second approach is an agile methodology that facilitates the identification of boilerplate templates for different types of requirements based on observed linguistic patterns. For this study, three different LLMs were utilized. Two of these models were fine-tuned versions of Bidirectional Encoder Representations from Transformers (BERT), specifically aeroBERT-NER and aeroBERT-Classifier, which were trained on annotated aerospace corpora. Another LLM, called flair/chunk-english, was utilized to identify sentence chunks present in NL requirements. All three language models were utilized together to achieve the standardization of requirements. To demonstrate the effectiveness of the methodologies, requirements from Parts 23 and 25 of Title 14 Code of Federal Regulations (CFRs) were employed, and a total of two, five, and three boilerplate templates were identified for design, functional, and performance requirements, respectively.

In order to obtain higher thermoelectric and mechanical properties in non-polar thermoplastic vulcanizates (TPVs), the Butyl rubber/Polypropylene (TPVs)/hydroxylated graphene (HGE) composites with nanosheet network were prepared through masterbatch technique and based on thermodynamic calculations, using polypropylene-graft-maleic anhydride (PP-MA) as a compatibilizer. The FTIR and Raman spectra revealed the introduced maleic anhydride group on PP-MA can form strong interfacial interaction with hydroxyl-containing functional groups on HGE. Morphology study indicated the rubber particles in the composites occupied the most volume of the PP phase, as expected to hinder the aggregation of HGE and form the effective nanosheet network. The nanosheet network can be combined with the IIR cross-linked particles during the dynamic vulcanization process to improve the interface bonding between PP and IIR, thus increasing the tensile strength of TPVs. When the content of HGE reached the percolation threshold (2 wt.%), the nanosheet network of HGE was formed, and the AC conductivity, dielectric permittivity and thermal conductivity increased sharply. The prepared TPVs/HGE nanocomposites have significantly improved in mechanical properties, thermal properties and dielectric properties, which provides a guarantee for their potential application as multifunctional TPVs polymers.

Surface initiated atom transfer radical polymerization (SI-ATRP) is one of the most versatile technique to modify the surface properties of material. Recent developed metal free SI-ATRP makes such technique more widely applicable. Herein photo-induced metal-free SI-ATRP of methacrylates, such as methyl methacrylate, N-isopropanyl acrylamide, and N,N- dimethylaminoethyl methacrylate, on the surface of SBA-15 was reported to fabricate organic-inorganic hybrid materials. SBA-15 based polymeric composite with adjustable graft ratio was obtained. The structure evolution during the SI-ATRP modification of SBA-15 was monitored and verified by FT-IR, XPS, TGA, BET, and TEM. The obtained polymeric composite showed enhanced adsorption ability for the model compound toluene in aqueous. This procedure provides a low cost, ready availability, and facile modification way to synthesize the polymeric composites without the contamination of metal.

Polyalcohol liquefaction can be done by acid or basic catalysis producing polyols with different properties. This study compared the mechanical properties of foams produced using polyols from liquefied Cytisus scoparius obtained by acid and basic catalysis and using two different foam catalysts. The differences were monitored using FTIR analysis. Acid-catalyzed liquefaction yielded 95.1 %, with the resultant polyol having an OH index of 1081 mg KOH/g while basic catalysis yielded 82.5 %, with a similar OH index of 1070 mg KOH/g. Generally, compressive strength with dibutyltin dilaurate (DBTDL) ranged from 16 - 31 kPa (acid-liquefied polyol) and 12 -21 kPa (base-liquefied polyol), while with stannous octoate (TIN), it ranged from 17 - 42 kPa (acid) and 29 - 68 kPa (base). Increasing water content generally decreased the compressive modulus and strength of foams. Higher water content led to a higher absorption at 1670 cm-1 in the FTIR spectrum due to the formation of urea. Higher isocyanate indices generally improved compressive strength, but high amounts led to unreacted isocyanate that could be seen by a higher absorption at 2265 cm-1 and 3290 cm-1. DBTL was shown to be the best foam catalyst due to higher trimer conversion seen in the spectra by a higher absorption at 1410 cm-1. Acid and base-derived polyols lead to different polyurethane foams with different FTIR spectra, particularly with a higher absorption at 1670 cm-1 for foams from acid-derived liquefaction.

The DNA damage response (DDR) system is a complicated network of signaling pathways that detects and repairs DNA damage or induces apoptosis. Critical regulators of the DDR network include the DNA damage kinases ataxia telangiectasia mutated Rad3-related kinase (ATR) and ataxia-telangiectasia mutated (ATM). The ATR pathway coordinates processes such as replication stress response, stabilization of replication forks, cell cycle arrest, and DNA repair. ATR inhibition disrupts these functions, causing reduction of DNA repair, accumulation of DNA damage, replication fork collapse, inappropriate mitotic entry and mitotic catastrophe. Recent data have shown that the inhibition of ATR can lead to synthetic lethality in ATM-deficient malignancies. In addition, ATR inhibition plays a significant role in the activation of the immune system by increasing the tumor mutational burden and neoantigen load as well as by triggering the accumulation of cytosolic DNA and subsequently inducing the cGAS-STING pathway and the type I IFN response. Taken together, we review stimulating data showing that ATR kinase inhibition can alter the DDR network, the immune system and their interplay and therefore potentially provide a novel strategy to improve the efficacy of antitumor therapy, using ATR inhibitors as monotherapy or in combination with genotoxic drugs and/or immunomodulators.

Cells respond to DNA double-strand breaks by initiating DSB repair and ensuing a cell cycle checkpoint. The primary responder to DSB repair is non-homologous end joining, an error prone repair pathway. However, when DSBs are generated after DNA replication in the G2 phase of the cell cycle, a second DSB repair pathway, homologous recombination, can come into action. Both ATM and ATR are important for DSB-induced DSB repair and checkpoint responses. One method of ATM and ATR working together is through the DNA end-resection of DSBs. As a readout and marker of DNA end-resection, RPA is phosphorylated at Ser4/Ser8 of the N-terminus of RPA32 in response to DSBs. Here, the significance of RPA32 Ser4/Ser8 phosphorylation in response to DNA damage, specifically in S phase to G2 phase of the cell cycle is examined. RPA32 Ser4/Ser8 phosphorylation in G2 synchronized cells is necessary for increases in TopBP1 and Rad9 accumulation on chromatin and full activation of the ATR-dependent G2 checkpoint. In addition, our data suggest RPA Ser4/Ser8 phosphorylation modulates ATM-dependent KAP-1 phosphorylation and Rad51 chromatin loading in G2 cells.

Antimony (Sb) has gained significance as a critical raw material (CRM) within the European Union (EU) due to its strategic importance in various industrial sectors, particularly in the textile industry for flame retardants and as a component of Sb-based semiconductor materials. Moreover, Sb is emerging as a potential alternative for anodes used in lithium-ion batteries, a key element in the Energy transition. This study focused on exploring the feasibility of identifying and quantifying Sb mineralizations through the spectral signature of soils using reflectance spectroscopy, a non-invasive remote sensing technique, and by employing deep learning algorithms such as Convolutional Neural Networks (CNNs). Common signal preprocessing techniques were applied to the spectral data, and the soils were analyzed by Inductively Coupled Plasma Mass Spectrometry (ICP-MS). Despite achieving high R-squared values, the study faces a significant challenge of generalization of the model to new data. Despite the limitations, this study provides valuable insights into potential strategies for future research in this field.

Aiming at the classification identification problem of aeroengines, this paper adopts telemetry Fourier Transform Infrared Spectrometer to collect aeroengine hot jet infrared spectrum data, and proposes an aeroengine classification identification method based on spectral feature vectors. First, aeroengine hot jet infrared spectrum data are acquired and measured, meanwhile, the spectral feature vectors based on CO2 are constructed. Then, the feature vectors are combined with the seven mainstream classification algorithms to complete the training and prediction of the classification model. In the experiment, two Fourier transform infrared spectrometers, EM27 developed by Bruker and a self-developed telemetry FTIR, were used to telemeter the hot jet of three aeroengines to obtain infrared spectral data. The training data set and test data set were randomly divided in a ratio of 3:1. The model training of the training data set and the label prediction of the test data set were carried out by combining spectral feature vectors and classification algorithms. The classification evaluation indicators were accuracy, precision, recall, confusion matrix, and F1-score. The classification recognition accuracy of the algorithm was approximately 98%. This paper has great significance for the fault diagnosis of aeroengines and classification recognition of aircrafts.

A Cu₂ZnSnS₄ (CZTS) film with a thickness of approximately 1.5 μm was fabricated on a Mo-coated glass substrate by annealing a CZTS precursor fabricated from nanoparticle ink. The chemical states of the elements in the CZTS thin film in the depth direction were studied to identify the presence of secondary phases, which are detrimental to the performance of solar cells containing CZTS. X-ray diffraction was unable to detect any secondary phases in CZTS because of their small relative amount. Instead, X-ray photoelectron spectroscopy (XPS), which is highly sensitive to chemical state, was conducted at different depths in the CZTS film to further check the presence of secondary phases. XPS analysis revealed peaks shift consistent with the presence of secondary phases. For the CZTS film annealed in a S atmosphere at 575 °C for 3 h, the film surface consisted of a secondary-phase layer composed of CuS, ZnS, and SnSx (x=1 or 2) originating from the decomposition of CZTS. At depths below 80 nm, the film was pure CZTS. Formation of MoS2 at the CZTS–Mo interface was confirmed by XPS analysis of Mo and S.

Hyperspectral imaging data holds great potential for the different stages of the mining life cycle in active and post-mining environments. However, the technology has yet to reach the stage of large-scale industrial implementation and acceptance. While hyperspectral satellite imagery can achieve high spectral resolution, signal-to-noise ratio (SNR) and global availability with break-through satellite systems like EnMAP, EMIT and PRISMA, limited spatial resolution poses chal-lenges for sectors like mining, which require decimetre to centimetre scale resolution for applica-tions such as reconciliation, ore/waste estimates, geotechnical assessments and environmental monitoring. Hyperspectral imaging from drones (referred to herein as Uncrewed Aerial Systems; UASs) offers high spatial resolution data relevant to the camp/ mine scale, with the capability for frequent, user-defined re-visit times. This has been made possible by the miniaturization of hy-perspectral imaging systems. Collection of data in the visible to near and shortwave infrared (VNIR-SWIR) wavelength regions enables the detection of different minerals and surface altera-tion patterns potentially revealing crucial information for exploration, extraction, re-mining, waste remediation, and rehabilitation. In this paper, we provide a review of relevant studies de-ploying hyperspectral imaging in or applicable to the mining sector, especially for the use of hy-perspectral VNIR-SWIR Uncrewed Aerial Systems. Where required, we draw on previous in-sights derived from satellite or ground-based systems. We also discuss UAS survey planning, and sampling considerations for validation and interpretation.

Novel bio-inspired materials have gained recently great attention, especially in medical applications. Applying sophisticated design and engineering methods, various polymer-polymer hybrid systems with outstanding performance have been developed in last decades. Hybrid systems composed of bioelastomers and hydrogels are very attractive due to their high biocompatibility and elastic nature for advanced biomaterials used in various medical applications such as drug delivery systems and scaffolds for tissue engineering. Herein, we describe the advances in current state-of-the-art design, properties and applications of polymer-polymer hybrid systems in medical applications. Bio-inspired functionalities, including bioadhesiveness, injectability, antibacterial properties and degradability applicable to advanced drug delivery systems and medical devices will be discussed in a context of future efforts towards development of bioinspired materials.

The qualitative analysis of nanodiamonds by FTIR spectrometry as photoacoustic (PAS), diffuse-reflectance (DRIFT), and attenuated total reflection (ATR) modalities was evaluated for rapid and nondestructive analysis and comparison of nanodiamonds. The spectra reproducibility and signal-gathering depth was compared. The assignment of characteristic bands showed that only six groups of bands were present in spectra of all the modalities with appropriate sensitivity: 1760 (C=O stretch, isolated carboxyl groups); 1640–1632 (H–O–H bend, liquid water); 1400–1370 (non-carboxyl C–O–H in-plane bend and CH2 deformation); 1103 (non-carboxyl C–O stretch); 1060 (in-plane C–H bend, non-aromatic hydrocarbons and carbohydrates); and 940 cm–1 (out-of-plane carboxyl C–O–H bend). DRIFT provides the maximum number of bands and is capable of measuring hydrogen-bonded bands and CHX groups. ATR provides the good sensitivity for water and C–H/C–C bands in the range 2000–400 cm–1. PAS-FTIR reveals less bands than DRIFT but more intense bands than ATR-FTIR and shows the maximum sensitivity for absorption bands that do not appear in ATR-IR spectra and are expedient for supporting either DRIFT or PAS along with depth-profiling. Thus, all three modalities are required for full characterization of nanodiamonds surface functional groups.

A time-sequential working, spatially multiplexed autostereoscopic 3D display design consisting of a fast switchable RGB-color filter array is presented. The wavelength-selective filter barrier emits the light from a display over a larger active area than common autostereoscopic barrier displays. An optical modelling of wavelength-selective barriers has been used for instance to calculate the light ray distribution properties of that arrangement. To find well working display designs, automated searches by simulation and computational evaluation has been proceeded. Wavelength-selective filter barrier arrangements exhibit characteristics different from common barrier displays with similar barrier pitch and ascent. In particular, these constructions show strong angular luminance dependency under barrier inclination specified by correspondent slant angle. In time-sequential implementation it is important to avoid that quick eye or eyelid movement lead to visible color artifacts. In the millisecond regime tunable liquid crystal Fabry-Pérot color filters for the colors red, green and blue are presented. They consist of a sub-micrometer thick nematic layer sandwiched between dielectric mirrors and ITO-electrodes. These cells shall switch narrow-banding light of red, green or blue. An array for a glasses-free 3D display has to be equipped with several thousand switchable filter elements having different color apertures. The newly introduced design is usable as a multi user display as well as a single user system with user adaptive control.

Hydrogels prepared from natural polymer have attracted extensive attentions in biomedical fields such as drug delivery, wound healing, and regenerative medicine due to their good biocompatibility, degradability and flexibility. This review outlines the commonly used natural polymer in hydrogel preparation, including cellulose, chitosan, collagen/gelatin, alginate, hyaluronic acid and starch. The polymeric structure and process/synthesis of natural polymers are illustrated, and natural polymer-based hydrogels including the hydrogel formation and properties are elaborated. Subsequently, the biomedical application of hydrogels based on natural polymer in drug delivery, tissue regeneration, wound healing and other biomedical field is summarized. Finally, the future perspectives of natural polymers and hydrogels based on them are discussed. For natural polymer, novel technologies such as enzymatic and biological methods are developed to improve the structural properties and the development of new natural based polymers or natural polymer derivatives with high performance is still very important and challenging. For natural polymer-based hydrogels, novel hydrogel materials, like double-network hydrogel, multifunctional composite hydrogels and hydrogel microrobots are designed to meet the advanced requirements in biomedical application, and new strategies such as dual-crosslinking, microfluidic chip, micropatterning and 3D/4D bioprinting, have been explored to fabricate advanced hydrogel materials with designed properties for biomedical application. Overall, natural polymeric hydrogels have attracted increasing interests in biomedical application, and the development of novel natural polymer-based materials and new strategies/methods for hydrogel fabrication is badly desirable and still challenging.

The aim of this study was to evaluate the use of a flexible synthetic polymer bone graft to provide implant stability in the absence of implant stability during implant placement in a dense cortical bone model. Sockets were prepared on polyurethane blocks according to the standard implant socket drilling protocol in the control group, both oversizing and deepening in group 2, and oversizing only in group 3. In groups 2 and 3, flexible synthetic polymer bone grafts were placed in the sockets prior to implant placement. The implants were placed at bone level in all groups. The highest torque value obtained was recorded as the insertion torque. 75 implant sites in 3 groups were included in the study. The torque values of the implants in the control group were significantly higher than those of the implants with the oversized and deepened sockets and the oversized-only sockets (p&lt;0.05; p&lt;0.01).The torque values of the implants with the oversized and deepened sockets were significantly higher than those of the implants with the oversized-only sockets (p&lt;0.01). In this study, flexible synthetic polymer bone graft was shown to be effective in achieving implant stability in the management of implants with loss of primary stability.

This review describes major advances in the use of functionalized molecular metal oxides (polyoxometalates, POMs) as water oxidation catalysts under electrochemical conditions. The fundamentals of POM-based water oxidation are described together with a brief overview of general approaches to designing POM water oxidation catalysts. Next, the use of POMs for homogeneous, solution-phase water oxidation is described together with a summary of theoretical studies shedding light on the POM-WOC mechanism. This is followed by a discussion of heterogenization of POMs on electrically conductive substrates for technologically more relevant application studies. Stability of POM water oxidation catalysts are discussed on selected examples where detailed data is already available. The review finishes with an outlook on future perspective and emerging themes in electrocatalytic polyoxometalate-based water oxidation research.

The integration of deep learning methods, especially Convolutional Neural Networks (CNN), and Synthetic Aperture Radar Automatic Target Recognition (SAR ATR) has been widely deployed in the field of radar signal processing. Nevertheless, these methods are frequently regarded as black-box models due to the limited visual interpretation of their internal feature representation and parameter organization. In this paper, we propose an innovative approach named C-RISE, which builds upon the RISE algorithm to provide a post-hoc interpretation technique for black-box models used in SAR Images Target Recognition. C-RISE generates saliency maps that effectively visualize the significance of each pixel. Our algorithm outperforms RISE by clustering masks that capture similar fusion features into distinct groups, enabling more appropriate weight distribution and increased focus on the target area. Furthermore, we employ Gaussian blur to process the masked area, preserving the original image structure with optimal consistency and integrity. C-RISE has been extensively evaluated through experiments, and the results demonstrate superior performance over other interpretation methods based on perturbation when applied to neural networks for SAR image target recognition. Furthermore, our approach is highly robust and transferable compared to other interpretable algorithms, including white-box methods.

MgAl oxide coatings containing MgO and MgAl2O4 phases were doped with CeO2 particles using plasma electrolytic oxidation (PEO) of AZ31 magnesium alloy in 5 g/L NaAlO2 water solution, with CeO2 particles added at concentrations up to 8 g/L. They underwent extensive inve-stigation into their morphology, chemical and phase compositions, and most importantly, photoluminescent (PL) properties and photocatalytic-activity (PA) in photodegradation of methyl orange (10 cm3 of 8 mg/L). The concentration of CeO2 particles in the aluminate electrolyte influences the amount of CeO2 particles incorporated into MgAl oxide coatings, but CeO2 particles have no signi-ficant effect on the surface morphology, thickness, or phase structure of the coatings. The PL emi- ssion spectrum of MgAl oxide coating is divided into two bands: one in the 350-600 nm range related to structural defects in MgO, and another much more intense in the 600-775 nm range attributed to F+ centres in MgAl2O4. Incorporated CeO2 particles do not have a significant effect on the PL intensity of the band in the red spectral region, but the PL intensity of the first band increases with the concentration of CeO2 particles. PA of MgAl/CeO2 oxide coatings is higher than that of pure MgAl oxide coatings. The highest PA was observed for MgAl/CeO2 oxide coatings formed in aluminate electrolytes with the addition of 2 g/L of CeO2 particles. The MgAl/CeO2 oxide coatings remained chemically and physically stable across multiple cycles, indicating their potential for applications.

Recently, two chicken breast fillet abnormalities, termed Wooden Breast (WB) and Spaghetti Meat (SM), have become a challenge for the chicken meat industry. The two abnormalities share some overlapping morphological features, including myofiber necrosis, intramuscular fat deposition, and collagen fibrosis, but display very different textural properties. WB has a hard, rigid surface, while the SM has a soft and stringy surface. Connective tissue is affected in both WB and SM, and accordingly, this study's objective was to investigate the major component of connective tissue, collagen. The collagen structure was compared with normal (NO) fillets using histological methods and Fourier transform infrared (FTIR) microspectroscopy and imaging. The histology analysis demonstrated an increase in the amount of connective tissue in the chicken abnormalities, particularly in the perimysium. The WB displayed a mixture of thin and thick collagen fibers, whereas the collagen fibers in SM were thinner, fewer, and shorter. For both, the collagen fibers were oriented in multiple directions. The FTIR data showed that WB contained more β-sheets than the NO and the SM fillets, whereas SM fillets expressed the lowest mature collagen fibers. This insight into the molecular changes can help to explain the underlying causes of the abnormalities.

Due to the growing interest in biopolymers, biosynthesizable and biodegradable polymers currently occupy a special place. Unfortunately, the properties of native biopolymers are not satisfactory, which explain that attempts are being made to modify them. The work attempts to improve the properties of poly(3-hydroxybutyrate) (P3HB) using linear aliphatic polyurethane (PU) based on 1,4-butanediol and hexamethylene 1,6-diisocyanate. The conducted studies on the effect of the amount of PU used (5, 10, 15 and 20 wt.%) showed an improvement in the thermal properties of the prepared polymer blends. There was an increase in the degradation temperature of the ob-tained blends in relation to the native P3HB by 12-57C, and the difference between the melting point and the degradation point was above 100°C for most of the obtained blends. As part of the tested mechanical properties of the new polymer blends, we noted the desired increase in the tensile strength, in the relative elongation at break and in the impact strength with a decrease in hardness, in particular with the presence of 5 wt.% PU. Therefore, for further improvement, hybrid nanobiocomposites with 5 wt.% PU and organically modified montmorillonite (MMT – Cloisite 30B) were produced. The nanoadditive was used in typical amount of 1-3 wt.%. The nanostructure of the biocomposites produced by extrusion was examined by small-angle X-ray scattering (SAXS) and transmission electron microscopy (TEM), the morphology by scanning electron microscopy (SEM), and compatibility by infrared spectroscopy (FT IR). In addition, selected mechanical properties were determined and thermal properties were tested by the thermogravimetric analysis (TGA) and the standard differential scanning calorimetry (DSC). The polyester and polyurethane chains penetrated into the interlayer spaces of organically modi-fied nanoclay – Cloisite30B and the complete delamination occurred during direct mixing in the extrusion process. FT IR spectral analysis showed the compatibility of the polymer biocomposite components by the coexistence of intermolecular interactions in the form of hydrogen bonds. The morphology studies of the produced hybrid nanobiocomposites showed an interaction of the bi-opolymer matrix with PU and Cloisite30B and the formation of easily migrating polyester-polyurethane-montmorillonite adducts, which resulted in improved mechanical properties com-pared to the properties of the native P3HB and P3HB-PU compositions. The influence of the presence of a nanofiller on the properties of the prepared nanobiocomposites was tested and it was found that, as expected, the smallest amount of nanofiller provides the best results.It was found that the obtained nanobiocomposites containing the smallest amount of nano-fillers, i.e. 1 wt.% Cloisite30B exhibited the best mechanical and thermal properties. The desired decrease in hardness by 15% and a higher value of impact strength by 15%, an increase in elonga-tion at break by 60% and an increase in thermal stability of the newly produced biocomposites compared to to the native P3HB were observed. The prepared nanobiocomposites combined the best features caused by the elasticizing effect of polyurethane and the formation of P3HB-PU-MMT adducts.

Phytochromes are biological photoswitches that translate light into a physiological function. Spec-troscopic techniques are essential tools in molecular research on these photoreceptors. This review is directed to summarize how resonance Raman and IR spectroscopy contributed to the under-standing of structure, dynamics, and reaction mechanism of phytochromes, outlining the substan-tial experimental and theoretical challenges and describing the strategies to master them. It is shown that the potential of the various vibrational spectroscopic techniques can be most efficient-ly exploited in integral approaches by combination with theoretical methods as well as other ex-perimental techniques.

SiC is a material with excellent mechanical and thermal properties, but with a high production cost. Obtaining SiC by reactive infiltration is an attractive method and at a much lower cost than the traditional sintering process. However, the reactive infiltration process presents a serious problem, which is the high residual silicon content, which decreases its range of application. The replacement of silicon with silicides is a widely used alternative. The present investigation shows the good mechanical properties of the SiC/IrSi₃ composite material obtained by reactive infiltration of SiC/C preforms with Ir-Si alloys. The thermomechanical analysis shows a high compatibility of silicide with SiC. The presence of the silicide shows a substantial improvement against the oxidation of the SiC/Si composites.

Although the potential of natural minerals for purification of liquid radioactive wastes (LRW) from radionuclides has been widely studied, the use of hybrid polymer composites made of zeolite is still rather scarce. This article reports on the preparation of zeolite based hybride polymer composites using the in-situ polymerization technique in the body of mineral matrix and its intercalated with copper ferrocyanide (CuFC) forms. This hybrid polymer composites have shown unique and enhanced properties as compared to the individual mineral. The change in conventional properties of two mixed minerals such as zeolite and bentonite and their intercalated with CuFC forms were probed using technics such as scanning electron microscopy (SEM), X-ray diffraction (XRD), Mossbauer spectroscopy (MS) and FT-IR analysis. The totality of analysis showed a coexistence of intercalated and percolated zeolite phases. The hybrid polymer composites exhibited both adsorption and ion-exchangr properties in removal of radionuclides from LRW.

Within the spectra of lanthanide atoms quite often overlapping spectral lines (blends) are observed. On the example of complicated blend situations within Pr I and La I it is shown that in such cases a combination of optogalvanic and laser-induced fluorescence detection is necessary to find all transitions contributing to the observed spectral signature.

Near-infrared spectroscopy (NIRS) has become a key modality in medical imaging, finding application in both brain and breast imaging. This paper discusses the current trends in NIRS for brain and breast imaging, exploring advances in multi-modal integration with modalities such as functional magnetic resonance imaging (fMRI) and electroencephalography (EEG). Challenges related to spatial resolution, depth sensitivity, and the impact of extracerebral tissues on signal specificity are examined. In addition, ongoing efforts to enhance hemodynamic measurements’ quantitative accuracy. Challenges, including limited spatial resolution and tissue heterogeneity, are discussed. The discussion extends to diffuse optical tomography and ongoing instrumentation development, clinical trials and studies validating NIRS diagnostic efficacy in breast imaging. The paper emphasizes the need for standardization, integration into routine clinical practice, and motivates for future work.

This article reports new measurements of laser-induced plasma hypersonic expansion measurements of diatomic molecular cyanide (CN). Focused, high-peak power 1064-nm Q-switched radiation of the order of 1 TW/cm² generates optical breakdown plasma in a cell containing a 1:1 molar gas mixture of N₂ and CO₂ at a fixed pressure of 1.1 × 10⁵ Pascal and in a 100 ml/min flow of the mixture. Line-of-sight (LOS) analysis of recorded molecular spectra indicate the outgoing shockwave at expansion speeds well in excess of Mach number 5. Spectra of atomic carbon confirm an increased electron density near the shock wave, and equally, molecular CN spectra reveal higher excitation temperature near the shockwave. The results are consistent with corresponding high-speed shadow graphs obtained by visualization with an effective shutter speed of five n anosecond. In addition, LOS analysis and application of integral inversion techniques allow inferences about the spatio-temporal distribution of the plasma.

The article delves into the intricate phase transitions of 1-Octadecanol and n-Nonadecane within a binary system, unveiling dynamic structural changes under varying conditions. Through Fouri-er-transform infrared (FTIR) analysis, specific molecular vibrations were identified, shedding light on the molecular composition and interactions. The study highlights the challenges in detecting subtle phase transitions and emphasizes the individuality of molecular behaviours in closely related compounds. The findings underscore the complexity of phase transitions in binary systems and advocate for a nuanced approach to studying molecular structures and behaviours. Addi-tionally, the research contributes valuable insights into the molecular dynamics of Organic Polymer Functional Adsorption Materials, offering implications for synthetic waxy layers in plant epidermis.

In this short review paper we have assembled the main characteristics of partial oxidation reactions (oxidative dehydrogenation and selective oxidation to olefins or oxygenates, as aldehydes and carboxylic acids and nitriles), as well as total oxidation, particularly for depollution, environmental issues and wastewater treatments. Both gas-solid and liquid-solid media have been considered with recent and representative examples within these fields. We have also discussed about their potential and prospective industrial applications. Particular attention has been brought to new raw materials stemming from biomass and to liquid-solid catalysts cases. This review paper also summarizes the progresses made in the use of unconventional activation methods for performing oxidation reactions, highlighting the synergy of these technologies with heterogeneous catalysis. Focus has been centered on usual catalysts activation methods but also on less usual ones, such as the use of ultrasounds, microwaves, grinding (mechanochemistry) and photo-activated processes, as well as their combined use.

Acoustic energy dissipates in multi-phase or multi-boundary materials. Hybrid composites are described as multi-phase with many interfaces between their materials. The current research proposes studying the acoustic behavior of polymeric hybrid composites by estimating the time, velocity, and hybrid composite acoustic impedance. Two groups of hybrid composites were prepared, including unsaturated polyester with PMMA, except one with HDPE and the other with PS. Each group has 28, 35, and 40% weight fractions. An ultrasonic test measured time to determine velocity and acoustic impedance later. The results show that increasing the weight fraction will increase density with respect to the density of the reinforcing material. Different ultrasonic times were obtained with increasing weight fractions. As the weight fraction of PS increased, the time increased; unlike the velocity, it decreased but increased with density. In contrast, this behavior was changed if the hybrid had PE. The highest acoustic impedance was at 28% UP/PMMA+PS. In conclusion, UP/PMMA+PS can dissipate ultrasonic waves more than UP/PMMA+PE.

The interpretation of optical spectra requires thorough comprehension of quantum mechanics, especially understanding the concept of angular momentum operators. Suppose now that a transformation from laboratory-fixed to molecule-attached coordinates, by invoking the correspondence principle, induces reversed angular momentum operator identities. However, the foundations of quantum mechanics and the mathematical implementation of specific symmetries assert that reversal of motion or time reversal includes complex conjugation as part of anti-unitary operation. Quantum theory contraindicates sign changes of the fundamental angular momentum algebra. Reversed angular momentum sign changes are of heuristic nature and are actually not needed in analysis of diatomic spectra. This work addresses sustenance of usual angular momentum theory, including presentation of straightforward proofs leading to falsification of the occurrence of reversed angular momentum identities. This review also summarises aspects of a consistent implementation of quantum mechanics for spectroscopy with selected diatomic molecules of interest in astrophysics and in engineering applications.

The escalating demand for multifunctional and advanced materials for growing industries has turned scientific exploration to graphene-based hybrid filler polymer composites. The introduction of graphene with other fillers into polymer matrices results in astonishing properties and thus has gained significant attention in recent years. This study addresses the significance of graphene-based hybrid filler polymer composites in progressive materials science and engineering. The paper encloses some traditional and current preparation techniques employed in the fabrication of composites and a comprehensive review of successfully prepared graphene hybrid polymer composites with enhanced mechanical, thermal, and electrical properties reported in published research. The role of different factors, e.g., filler type, aspect ratios, filler-matrix compatibility, dispersion effects, homogeneity, filler orientation through polymer matrices, and curing conditions, are summarized. Finally, the applications in heavy industries, e.g., aerospace, electronics, energy storage, and automotive sectors were also analyzed. We hope this study will serve as a practical resource for new researchers and practitioners to understand and harness the full potential of these composites in various scientific and industrial fields.

A novel method of investigating the temperature dependent variation of aspects of the complex refractive index n* in samples in the THz range using continuous, non-polarised, synchrotron radiation is presented. The method relies on the use of ATR apparatus, and retains the advantage of minimal sample preparation, which is a feature of ATR techniques. The method demonstrates the viability of rapidly monitoring temperature reflectance whilst continuously heating or cooling samples by using a temperature variable Thermal Sample Stage. The method remains useful when the refractive index of the sample precludes attenuated total reflection study. This is demonstrated with the water reflectance experiments. The temperature dependent ATR reflectance of tissue-representative fats (lard and Lurpak® butter) was investigated with the novel approach. Both are within the ATR range of the diamond crystal in a “true” ATR mode. Lard showed no clear temperature variation between -15 0C and 24 0C at 0.7 to 1.15 THz or 1.70 to 2.25 THz. Lard can be regarded as having invariable, constant, dielectric properties within mixtures when biological substances are being assessed for temperature dependent dielectric variation within the stated THz ranges. Lurpak® butter (water content 14.7%) displayed temperature dependent reflectance features with a steady decline in reflectivity with increasing temperature. This is in line with the temperature-dependent behaviour of liquid water. There is no rapid change in reflectance, even at -20 0C, suggesting that emulsified water retains liquid-water-like THz properties at freezing temperatures.

Minute Virus of Mice (MVM) is an autonomous parvovirus of the Parvovirus family that replicates in mouse cells and transformed human cells. MVM genomes localize to cellular sites of DNA damage with the help of their essential non-structural phosphoprotein NS1 to establish viral replication centers. MVM replication induces a cellular DNA damage response that is mediated by signaling through the ATM kinase pathway, while inhibiting induction of the ATR kinase signaling pathway. However, the cellular signals regulating virus localization to cellular DNA damage response sites has remained unknown. Using chemical inhibitors to DNA damage response proteins, we have discovered that NS1 locallization to cellular DDR sites is independent of ATM or DNA-PK signaling, but is dependent on ATR signaling. Pulsing cells with an ATR inhibitor after S-phase entry leads to attenuated MVM replication. These observations suggest that the initial localization of MVM to cellular DDR sites depends on ATR signaling before it is inactivated by vigorous virus replication.

Polymer hydrogels are 3D networks consisting of hydrophilic crosslinked macromolecular chains, able to swell and retain water. Since their invention in the 1960s, they have become an outstanding pillar in the design, development, and application of engineered polymer systems suitable for biomedical and pharmaceutical applications (such as drug or cell delivery, regeneration of hard and soft tissues, wound healing, and bleeding prevention, among others). Despite several well-established synthetic routes of polymer hydrogels based on batch polymerization techniques, about fifteen years ago academia started to look for alternative methods involving simpler reaction paths, shorter reaction times, and lower energy consumption. In this context, frontal polymerization (FP) undoubtedly has become an alternative and efficient reaction model that allows for converting monomers into polymers via a localized and propagating reaction, by exploiting the formation and propagation of a “hot” polymerization front, able to self-sustain and propagate throughout the monomeric mixture. Therefore, the present work aims to summarize the main research outcomes, achieved during the last years, concerning the design, preparation, and application of FP-derived polymeric hydrogels, demonstrating the feasibility of this technique for the obtainment of functional 3D networks, and providing the reader with some perspectives for the forthcoming years.

Bergamot flavonoids have been shown to prevent metabolic syndrome, non-alcoholic fatty liver disease (NAFLD) and stimulate autophagy in animal models and patients. To investigate further the mechanism of polyphenol-dependent effects, we performed RT2-PCR array analysis on 168 metabolism, transport and autophagy-related genes expressed in rat livers exposed for 14 weeks to different diets: standard, cafeteria (CAF) and CAF diet supplemented with 50 mg/kg of Bergamot Polyphenol Fraction (BPF). CAF diet caused a strong upregulation of the gluconeogenesis pathway (Gck, Pck2) and a moderate (>1.7 fold) induction of genes regulating lipogenesis (Srebf1, Pparg, Xbp1), lipid and cholesterol transport or lipolysis (Fabp3, Apoa1, Lpl) and inflammation (Il6). However, only one -oxidation gene (Cpt1a) and a few autophagy genes were modulated in the CAF group compared to controls. While most of these transcripts were significantly modulated by BPF, we observed a particularly potent effect on lipogenesis genes, like Acly, Acaca, Fasn and Scd1, which were suppressed far below the mRNA levels of control livers as confirmed by alternative primers-based RT2-PCR analysis and western blotting. These effects were accompanied by downregulation of pro-inflammatory cytokines (Il6, Tnfa, and Il10) and diabetes-related genes. Few autophagy (Map1Lc3a, Dapk) and no -oxidation gene expression changes were observed, suggesting minor transcriptional effects on autophagy. In conclusion, chronic BPF supplementation efficiently prevents NAFLD by modulating hepatic energy metabolism and inflammation gene expression programs, with no effect on -oxidation, but profound suppression of de-novo lipogenesis.

The work presents a mathematical model of a thermogravimetric curve for the growth and simultaneous sublimation of scale on a metal or alloy surface. Reduction of the reaction area as a result of the formation of oxides of alloying elements (for obtaining the basic oxide) is considered for the alloy. For metals, the case where this area is increased as a result of powder metal crushing is also considered. The equations that were obtained are employed to explain the kinetic curves of the mass change of the samples.

In recent years, the discharge of various emerging pollutants, chemicals and dyes in water and wastewater has represented one of the prominent human problems. Since water pollution is directly related to human health, highly resistant and emerging compounds in aquatic environments will pose many potential risks to the health of all living. Therefore, water pollution is a very acute problem that has constantly increased in recent years with the expansion of various industries. Consequently, choosing efficient and innovative wastewater treatment methods to remove contaminants is crucial. Among advanced oxidation processes, electrochemical oxidation (EO) is the most common and effective method for removing persistent pollutants from municipal and industrial wastewater. However, there are still many gaps despite the great progress in using EO to treat real wastewater. This is due to the lack of comprehensive information on the operating parameters which affect the process and its operating costs. In this paper, among various scientific articles, the impact of operational parameters on the EO performances, a comparison between different electrochemical reactor configurations, and a report on general mechanisms of electrochemical oxidation of organic pollutants have been reported. Moreover, an evaluation of cost analysis and energy consumption requirements have also been discussed. Finally, the combination process between EO and another important advanced oxidation technology, PEC, called photoelectrocatalysis (PEC), has shortly been discussed and reviewed. This article showed that there is a direct relationship between important operating parameters with the amount of costs and the final removal efficiency of emerging pollutants. Optimal operating conditions can be achieved by paying special attention to reactor design, which can lead to higher efficiency and more efficient treatment. The rapid development of EO for removing emerging pollutants from impacted water and its combination with other green methods can result in more efficient approaches to face the pressing water pollution challenge.

To achieve efficient utilization of low-concentration mine gas, reduce resource waste, and alleviate environmental pollution, high-temperature oxidation of low-concentration gas at a concentration range of 1.00% to 1.50% that is directly discharged into the atmosphere during coal mine production was oxidized to recover heat for reuse. The gas oxidation equipment was improved for the heating process, and the safety of low-concentration gas oxidation under high-temperature environment was evaluated. Experimental results showed that the reactor could provide a 1000 ℃ high-temperature oxidation environment for gas oxidation after installing high-temperature resistant ceramics. The pressure variation curves of the reactor with air and different concentrations of gas were similar. Due to the thermal expansion, the air pressure slightly increased and then returned to normal pressure. In contrast, the low-concentration gas exhibited a stable pressure response in the high-temperature environment of 1000 ℃. The outlet pressure was significantly greater than the inlet pressure, and the pressure difference between the inlet and outlet exhibited a trend to increase with the gas concentration. The explosion limit varied with the temperature and the blend with oxidation products. The ratio of measured gas pressure to air pressure after oxidation was below the explosion criterion, indicating that the measured concentration gas is still safe after the shift of explosion limit, which provides a safe concentration range for efficient use of low-concentration gas in the future.

Methionine 77 in calmodulin can be stereospecifically oxidized to methionine sulfoxide by mammalian methionine sulfoxide reductase A. Whether this has in vivo significance is unknown. We therefore created a mutant mouse in which wild-type calmodulin-1 was replaced by a calmodulin containing a mimic of methionine sulfoxide at residue 77. Total calmodulin levels were unchanged in the homozygous M77Q mutant, which is viable and fertile. No differences were observed on learning tests, including the Morris water maze and associative learning. Cardiac stress test results were also the same for mutant and wild type mice. .However, young male and female mice were 20% smaller than wild type mice, although food intake was normal for their weight. Young M77Q mice were notably more active and exploratory than wild type mice. This behavior difference was objectively documented on the treadmill and open field tests. The mutant mice ran 20% longer on the treadmill than controls, and in the open field test, the mutant mice explored more than controls and exhibited reduced anxiety These phenotypic differences bore a similarity to those observed in mice lacking calcium/calmodulin kinase Iiα (CaMKIIα). We then showed that M77Q calmodulin was less effective in activating CaMKIIα than wild type calmodulin. Thus, characterization of the phenotype of a mouse expressing a constitutively active mimic of calmodulin led to the identification of the first calmodulin target that can be differentially regulated by the oxidation state of Met77. We conclude that reversible oxidation of methionine 77 in calmodulin by MSRA can regulate cellular function.

Polymer flooding is one of the most successful chemical EOR methods, and is primarily implemented to accelerate oil production by sweep improvement. However, other benefits have extended the utility of polymers. During the last decade, it has been evaluated for an increasing number of fields, both offshore and onshore. This is a consequence of improved polymer properties, which extends the use to HTHS (high temperature high salinity) conditions and of improved understanding of flow mechanisms such as for heavy oil mobilization. A key issue in understanding polymer performance is to control and predict in-situ porous medium rheology. The first part of this paper reviews recent developments in understanding polymer flow in porous medium. Especially, polymer in-situ rheology and injectivity is discussed. The second part of this paper reports polymer flow experiments using the most applied polymer for EOR processes, HPAM (partially hydrolyzed polyacrylamide). The experiments address high rate near-wellbore behavior (radial flow) as well as reservoir rate steady state flow (linear flow) and discuss differences observed in terms of flow conditions. In addition, impact of oil on polymer rheology was investigated, and compared to single-phase polymer flow in Bentheimer sandstone rock material. Presence of oil leads to a reduction in apparent viscosity.

Ultrafast pump-probe spectroscopic studies allow for deep insights into the mechanisms and timescales of photophysical and photochemical processes. Extracting valuable information from these studies, such as reactive intermediates' lifetimes and coherent oscillation frequencies, is an example of the inverse problems of chemical kinetics. This article describes a consistent approach for solving this inverse problem that avoids the common obstacles of simple least-squares fitting that can lead to unreliable results. The presented approach is based on the regularized Markov Chain Monte Carlo sampling for the strongly nonlinear parameters, allowing for a straightforward solution of the ill-posed nonlinear inverse problem. The software to implement the described fitting routine is introduced and the numerical examples of its application are given. We will also touch on critical experimental parameters, such as the temporal overlap of pulses and cross-correlation time and their connection to the minimal reachable time resolution.

A mixture of nonlabeled (14N2H4) and 15N labeled hydrazine (15N2H4) in an aqueous solution is oxidized to 15N2, 14N2, and 14N15N molecules, indicating the intermediate existence of the 14NH2-14NH-15NH-15NH2 with subsequent hydrogen transfers and splitting of side N-N bonds. Structures, thermodynamics, and electron characteristics of various N4H6 molecules in aqueous solutions are investigated using theoretical treatment at the CCSD/cc-pVTZ level of theory to explain the crucial part of the hydrazine oxidation reaction. Most N4H6 structures in aqueous solutions are decomposed during geometry optimization. Splitting the bond between central nitrogen atoms is the most frequent, but the breakaway of the side nitrogen is energetically the most preferred. The N-N fissions are enabled by suitable hydrogen rearrangements. Gibbs free energy data indicate the dominant abundance of NH3... N2... NH3 species. The side N atoms have very high negative charges, which should support hydrogen transfers in aqueous solutions. The only stable cyclo-(NH)4…H2 structure has a too high Gibbs energy and breaks the H2 molecule. The remaining initial cyclic structures are split into hydrazine and HN≡NH or H2N≡N species, and their relative abundance in aqueous solutions is vanishing.

The wealth of data obtained during the past 20 years using Laser-Induced Breakdown Spectroscopy (LIBS) indicates that the technique is very promising to detect small chemical contents of alloying elements. The potential of LIBS was looked more seriously during the past two decades or so as more data were obtained on Aluminum and steel to study the phenomena in the condition of local thermodynamic equilibrium and time-delay between a Q-switch laser and an intensified CCD camera. Since the past decade, some data on compounds were also shown to be useful in determining small concentrations of harmful elements. This manuscript is intended to show that the technique of LIBS performance is very promising in fields such as micro-machining, in alloying element analysis, surface cleaning and environmental applications even with lightweight spectrometers having a relatively low resolution, which can potentially be air-borne.

Poly lactic acid (PLA) has made inroads for commercial market segment with lot many unique characteristics such as tenacity, low flame rate, moisture regain percentage, loss of ignition percentage, heat of combustion, UV resistance, Elastic recovery and higher melting point allowed it to be the fastest moving material in today's commercial market. An attempt has been made to test the feasibility and biocompatibility aspect of PLA with cement mix. The basic strength and physical test results were carried out and published in an article, to the continuation of the work, micro-structural study was conducted to evaluate the elemental characteristics. Thermo gravimetric analysis revealed that PLA either in granular form or filament will hold good for the inclusion into construction applications, provided degradation aspects are to be looked out for improvisation. From DSC it was found that PLA in filament form is the best inclusion material for construction application, however the tenacity of fibers has to checked, as currently available filaments in market does not have high tenacity value. From EDX reports, 30% inclusion of PLA as replacement for fine aggregate has constituent members as Calcium carbonate(CaCO3), Silica(SiO2) and Wollastonite (CaK) resulted in best composition among the rest. FESEM images revealed that, proper gradation in size, rough surface of PLA granular form or filament form will definitely enhance the mechanical/physical or even chemical behavior of PLA.

In this study organic bulk heterojunction (BHJ) solar cell along with the spiro OMeTAD as a hole transport layer (HTL) and the PDINO as an electron transport layer (ETL) was simulated through the Solar Capacitance Simulator, one dimensional (SCAPS-1D) software to examine the performance of this type of polymer thin film organic solar cells. As an active layer the blend of polymer donor PBDB-T and non-fullerene acceptor ITIC-OE was used. Numerical simulation was performed by varying the thickness of HTL and active layer. Firstly, the HTL layer thickness was optimized to 50 nm, after that the active layer thickness varied up to 80 nm. These results of simulation demonstrated that the HTL thickness has rather little impact on efficiency while in the case of active layer thickness improves efficiency significantly. The temperature effect on the performance of solar cells was considered, by the simulation performed for temperature from 300 K up to 400 K and the efficiency of solar cell decreases with increasing temperature. Generally, polymer films usually are full of traps and defects, the density of defects (Nt) value was also introduced to the simulation, and it was confirmed that with the increasing of defect density (Nt), the efficiency of solar cell decreases. After thickness, temperature and defect density optimization, the reflection coating was also applied on it. It turned out that by introducing the reflection coating on the back side of solar cell, the efficiency increases by 2.5 %. Additionally, the positive effect of HTL and ETL doping on efficiency of this type of solar cells was demonstrated.

Solving the problem of searching for new scintillators based on available materials, we were the first to obtain and study a single crystal of CsI doped with divalent ytterbium ions. This work was directed to study of luminescence mechanism of Yb2+ ions and excitation transfer from crystalline matrix of CsI to dopant ions under VUV excitation. Using time-resolved spectroscopy, spin-allowed and spin-forbidden radiative transitions of ytterbium ions at room temperature were discovered. At 10 degrees, the emission of self-trapped excitons was detected. UV and VUV excitation spectra were obtained in the emission bands of ytterbium and self-trapped excitons. It was found that Yb2+ luminescence is excited in the excitonic region in the range of 10-45 eV. The mechanism of charge compensation of Yb2+ ions in a CsI crystal was also studied, the spectrum of the thermally stimulated depolarization current was measured, and the activation energies of the two observed peaks were calculated. These peaks belong to impurity-vacancy complexes in two different positions.It is concluded that Yb2+ ions are promising dopants for CsI scintillators and X-ray phosphors in combination with SiPM photodetectors.

Laser-induced breakdown spectroscopy (LIBS) of pharmaceutical drugs that contain paracetamol is investigated in air and argon atmospheres. Characteristic neutral and ionic spectral lines of various elements and molecular signatures of CN violet and C₂ Swan band systems are observed. The relative hardness of all drug samples is measured as well. Principal component analysis, a multivariate method, is applied in data analysis for demarcation purposes of the drug samples. The CN violet and C₂ Swan spectral radiances are investigated for evaluation of possible correlation of the chemical and molecular structures of the pharmaceuticals. Complementary Raman and Fourier-transform-infra-red spectroscopies are used record molecular spectra of the drug samples. The applicationof the above techniques for the drug screening are important for identification and mitigation of drugs that reveal additives that may cause adverse side-effects.

Propolis is a bee product widely used as a dietary supplement and included in sweets or baby foods due to its well-known antioxidant and nutritional properties that are directly correlated with its phenolic composition. For this reason, this study analysed the total contents of flavones and flavonols, flavanones and dihydroflavonols, and the antioxidant capacity by using the methods of ABTS and linoleic acid/β-carotene in 99 samples of propolis from Spain and Chile. A rapid method was developed for quantifying these parameters in raw propolis using near infrared (NIR) spectroscopy with an optical fibre probe of remote reflectance applied directly to the ground up sample. The models developed allow the determination of the total of flavones and flavonols (0-183 mg rutin/ g propolis), of the total of flavanones and dihydroflavonols (9-109 mg pinocembrin/ g propolis extract), and the antioxidant capacity by the ABTS method (0-3212 nmolesTrolox/ mg of propolis) and of linoleic acid/β-carotene (22-86% inhibition). The NIR spectroscopy models were applied in external validation to different samples of the calibration group, which led to the conclusion that the methods developed provide significantly identical data to the initial chemical data of reference.

Polyvinyl alcohol (PVA) is highly compatible polymer with biological environments. Specifically, it has been used as a trap for different types of microorganisms in Bio-MEMS, and its properties can be modified to act as an electrode for electrochemical analysis. This study presents a nano-composite developed with PVA, multiwall carbon nanotubes (CNTs) doped with nitrogen, which changes the electrical properties of the polymer and its viscosity to obtain nanofibers by electro-spinning. The proposed nanocomposite was characterized using Fourier transform-infrared and Raman spectroscopy techniques, confirming the presence of the CNTs immersed in the polymer. High-resolution transmission electron microscopy was used to obtain the micrographs that showed the characteristic interplanar distances of the multiwall CNT in the polymeric matrix with values of 3.63 Å. Finally, the CNx mats were exposed to various aqueous solutions in a po-tentiostat to demonstrate the effectiveness of the nanofibers for electrochemical analysis. The CNx-induced changes in the electrical properties of the polymer were identified using cyclic voltammograms, while the electrochemical analysis revealed supercapacitor behavior.

This paper presents results on tribological characteristics for polymer blends made of polybutylene terephthalate (PBT) and polytetrafluoroethylene (PTFE). This blend is relatively new in research as PBT has restricted processability because of its processing temperature near the degradation one. Tests were done block-on-ring tribotester, in dry regime, the variables being the PTFE concentration (0%, 5%, 10% and 15%wt) and the sliding regime parameters (load: 1 N, 2.5 N and 5 N, the sliding speed: 0.25 m/s, 0.5 m/s and 0.75 m/s, and the sliding distance: 2500 m, 5000 m and 7500 m). Results are encouraging as PBT as neat polymer has very good tribological characteristics in terms of friction coefficient and wear rate. SEM investigation reveals a quite uniform dispersion of PTFE drops in the PBT matrix.

This work investigates spatial and temporal distributions of hydroxyl, OH, in laser-plasma in laboratory air at standard ambient temperature and pressure. Of interest are determination of temperature and density of OH and establishment of a correlation of molecular OH emission spectra with shadow graphs for time delays of 50 to 100 microsecond, analogous to previous work on shadow graph and emission spectroscopy correlation for cynaide, CN, in gas mixtures and for time delays of the order of 1 microsecond. Wavelength- and sensitivity- corrected spatiotemporal data analysis focuses on temperature inferences using molecular OH emission spectroscopy. Near-ir radiation from a Q-switched laser device initiates optical breakdown in laboratory air. The laser device provides 6 nanosecond, up to 850 milli Joule pulses at a wavelength of 1064 nanometer, and focal irradiance in the range of 1 to 10 Tera Watt per centimeter-squared. Frequency doubled beams are utilized for capturing shadow graphs for visualization of the breakdown kernel at time delays in the range of 0.1 to 100 microsecond. OH emission spectra of the laser plasma, spatially resolved along the slit dimension, are recorded in the wavelength range of 298 nm to 321 nm, and with gate widths adjusted to 10 microsecond for the intensified charge-coupled device that is mounted at the exit plane of a 0.64 m Czerny-Turner configuration spectrometer. Diatomic OH signals occur due to recombination of the plasma and are clearly distinguishable for time delays larger than 50 microsecond, but are masked by spectra of N2 early in the plasma decay.

Current sources play an essential role in tissue excitation used in bioelectrical impedance spectroscopy. Most investigations use Howland current sources that, despite their practicality and simplified implementation, have operating frequency limitations and dependence on the load impedance due to theirs narrow output impedance, specially at higher frequencies. The objective of this work is to propose model for a robust current-controlled sinusoidal oscillator. The oscillator is based on fully analog electronics, which enables controlling oscillation phase and amplitude by using a voltage reference. The mathematical model is based on Pyragas control application to the classical harmonic oscillator. From the modelling process, it was build an oscillator topology based on second-generation current carriers and on transconductance amplifiers. The reference signal (Fsync) was a sinusoidal voltage source having a frequency of 1MHz and an amplitude of 1Vpp. The oscillator output current synchronized the oscillations’ phase and amplitude with Fsync, regardless of their magnitude before the control signal acted in the circuit at t≈13.5μs. SPICE simulations using ideal components have confirmed the successful operation of the proposed oscillator. This type of oscillator can be implemented in SOIC, then allowing oscillation control interface with logic circuits.

Observation of parity-violating effects in chiral molecules is a long-standing challenge of the molecular spectroscopy community. In the microwave regime, the difference in transition frequencies between enantiomers is predicted to be below the mHz level, which is considerably beyond current experimental capabilities. The most promising future efforts combine vibrational spectroscopy, buffer gas cooling, and carefully chosen molecular candidates with large predicted parity-violating shifts. Here, we demonstrate for the first time high-precision differential microwave spectroscopy, achieving sub-Hz precision by coupling a cryogenic buffer gas cell with a tunable microwave Fabry-Perot cavity. We report statistically limited sub-Hz precision of (0.08±0.72) Hz, observed between enantiopure samples of (R)-1,2-propanediol and (S)-1,2-propanediol at frequencies near 15 GHz. We confirm highly repeatable spectroscopic measurements compared to traditional pulsed-jet methods, opening up new capabilities in probing subtle molecular structural effects at the 10−10 level and providing a platform for exploring sources of systematic error in parity-violation searches. We discuss dominant systematic effects at this level and propose possible extensions of the technique for higher precision.

This article discusses laser-induced laboratory-air plasma measurements and analysis of hydroxyl (OH) ultraviolet spectra. New experiments with Q-switched laser pulses illustrate occurrence of molecular recombination spectra for time delays of the order of several dozen of microseconds after plasma initiation. The computation of the emission spectra utilizes line strength data that are communicated as a supplementary file. Applications of detailed OH computations include laser-induced plasma and combustion analyses, to name but two applications.

Orientational dependence of the IR absorbing amide bands of silk is demonstrated from two orthogonal longitudinal and transverse microtome slices only $\sim 100$~nm thick. A scanning near-field optical microscopy (SNOM) which preferentially probes orientation perpendicular to the sample's surface was used. Spatial resolution of silk-epoxy boundary was defined with a $\sim 100$~nm resolution while the spectra were collected by a $\sim 10$~nm tip. Ratio of the absorbance of the amide-II C-N at 1512~cm$^{-1}$ and amide-I C=O $\beta$-sheets at 1628~cm$^{-1}$ showed sensitivity of SNOM to the molecular orientation. SNOM characterisation is complimentary to the far-field absorbance which is sensitive to the in-plane polarisation. Volumes with cross sections smaller than 100~nm can be characterised for molecular orientation. A method of absorbance measurements at four angles of slice cut orientation, which is equivalent to the four polarisation angles absorbance measurement is proposed.

Solar neutrinos have played a central role in the discovery of the neutrino oscillation mechanism. They still are proving to be a unique tool to help investigate the fusion reactions that power stars and further probe basic neutrino properties. The Borexino neutrino observatory has been operationally acquiring data at Laboratori Nazionali del Gran Sasso in Italy since 2007. Its main goal is the real-time study of low energy neutrinos (solar or originated elsewhere, such as geo-neutrinos). The latest analysis of experimental data, taken during the so-called Borexino Phase-II (2011-present), will be showcased in this talk - yielding new high-precision, simultaneous wide band flux measurements of the four main solar neutrino components belonging to the "pp" fusion chain (pp, pep, ⁷Be, ⁸B), as well as upper limits on the remaining two solar neutrino fluxes (CNO and hep).

This work reports measurements of calcified gallstone elemental compositions using laser-induced optical emission spectroscopy. The experimental results support the importance of the magnesium concentration in gallstone growth. Granular stones reveal an increased magnesium concentration at the periphery of the granules, suggesting the inhibition of further growth. Non-granular gallstones reveal lower overall magnesium concentrations but with higher values near the center.

This study presents a comprehensive investigation of the formation, composition, and behaviour of oxide layers during the high-temperature oxidation of four different steel alloys (16Mo3, 13Cr, T24 and P91) at a uniform temperature of 650 °C. The research combines CALPHAD (CALculation of PHAse Diagrams) calculations, thermogravimetric analysis (TGA) and advanced microscopy techniques, including scanning electron microscopy (SEM) and electron backscatter diffraction (EBSD), to elucidate the complex mechanisms controlling oxidation kinetics and oxide layer development. CALPHAD calculations were used to determine the thermodynamically stable phases for each steel type at 650 °C. The results showed different phase compositions, highlighting the importance of steel composition in the formation of oxide layers. Each steel grade exhibited different kinetics, with 16Mo3 steel showing the highest oxidation rate, followed by 13Cr, T24 and P91. This variability highlights the role of steel composition, particularly chromium content, in determining oxidation behaviour. These results have significant implications for temporary overheating in industrial applications and contribute to a deeper understanding of oxidation processes in steels.

Apoptosis under severe hypoxia is induced through p53 phosphorylation and HIF-1α-dependent p53 accumulation via ATR activation by DNA damage response (DDR) activation through replication stress. We previously demonstrated that the topoisomerase I catalytic inhibitor, 3EZ, 20Ac-ingenol, specifically induced apoptosis in Jeko-1 and Panc-1 cells, both of which are cell lines that show cyclin D1 overexpression. After progression to the S phase facilitated by nuclear cyclin D1, in the presence of 3EZ, 20Ac-ingenol, an intra S phase checkpoint was induced in ATR activation as part of replication stress-induced DDR. In this study, we examined whether 3EE, 20Ac-ingenol induces a higher degree of p53 phosphorylation and additional HIF-1α and p53 accumulation in response to replication stress-induced DDR activation under the hypoxic condition than under the normoxic condition by controlling ATR activation. 3EE, 20Ac-ingenol induced p53 activation and HIF-1α-dependent p53 accumulation through cooperative ATR activation via induced DDR with the hypoxia in Panc-1 cells. The Jeko-1 cells showed slight HIF-1α accumulation under hypoxia, but this was not decreased by 3EE, 20Ac-ingenol, so that the cells remained resistant to hypoxia. 3EE, 20Ac-ingenol induces an intricate interplay between p53 and HIF-1α accumulation via ATR activations that results in high p53 accumulation, which advanced transient expression and early disappearance of HIF-1?. The strong p53 accumulation and consequent PTEN activation also decreased HIF-1α accumulation and PD-L1 expression, which resulted in intense apoptosis.

Pure titanium is limited to be used in biomedical applications due to its lower mechanical strength compared to its alloy counterpart. To enhance its properties and improve medical implants feasibility, advancements in titanium processing technologies are necessary. One such technique is equal channel angular pressing (ECAP) for its severe plastic deformation (SPD). This study aimed to surface modify commercially pure titanium using micro arc oxidation (MAO) technology and mineral solutions containing Ca and P. The composition and shape of the changed surface were characterized using X-ray diffraction (XRD) and scanning electron microscope (SEM), respectively. The weight % of Ca and P in the coating was determined using Energy Dispersive Spectroscopy (EDS), and the corrosion resistance was evaluated through potentiodynamic measurement. The behavior of human dental pulp cell and periodontal cell behavior was also studied through a biomedical experiment over a period of 1-, 3-, and 7-days using trypsin as the culture medium and ELISA as the observation method. This study showed that the mechanical grain refinement method and surface modification significantly improved the biomechanical properties of commercially pure (CP) Titanium. Although the results showed variations in the absorbance values of cells cultured on different surfaces, this study provides valuable insights into pulp cell behavior and advances the field of biomedical research.

Friction and wear take place on two solid surfaces in sliding contact as a result of the mechanical, thermal and chemical interactions with the participation of environmental species. Electron microscopy and the associated spectroscopic analyses are powerful in probing these mechanisms in spatial resolutions from micro to atomic scale. This article provides a review of the author’s work in the wear and friction mechanisms of PVD hard coatings in which various SEM- and TEM-based microscopic and spectroscopic techniques were employed. Understanding on the failure mechanisms and the origin of self-adaptive friction has been improved to nano-scale. Other related issues are also discussed, such as sample preparation techniques for cross-sectional electron microscopy, energy dispersive X-ray spectroscopy and electron energy loss spectroscopy.

Secondary metabolites are bioactive compounds produced by living organisms that can reveal symbiotic relationships in nature. In the work described here, soil-born entomopathogenic-nematodes associated with symbiotic bacteria (Xenorhabdus stockiae and Photorhabdus luminescens) extracted from solvent supernatant containing secondary metabolites showed significant inhibitory action against Escherichia coli, Staphylococcus aureus, Enterococcus faceium, Proteus vulgaris, Bacillus cereus, Bacillus subtilis. These secondary metabolites, characterized by Fourier transform infrared spectroscopy were found to be amine groups of proteins; hydroxyl and carboxyl groups of polyphenols; hydroxyl groups of polysaccharides, and carboxyl groups of organic acids. The major compounds identified by Gas chromatography-mass spectrometry analysis of ethyl acetate extracts of Xenorhabdus stockiae revealed the existence of Nonanoic acid derivatives, Paromycin, Pyrrolidinone, Octodecanal derivatives, Trioxa-5-aza-1-silabicyclo, 4-Octadecenal, Methyl ester, Oleic Acid and 1,2-benzenedicarboxylicacid. Additional extraction from Photorhabdus luminescens was expressed functional compounds such as Indole-3-acetic acid, Piperidinol derivatives, Phthalic acid, 1-Tetradecanol, Nemorosonol, 1-eicosanol and unsaturated fatty acids. These outcomes support the development of new alternative natural antimicrobial agents for pathogen suppression in the future.

This paper is focused on understanding multiscale modelling to obtain a bridge among different time and length scales of simulation techniques. These techniques are vital as it holds the potential to understand and predict the capabilities of polymer nanocomposites (PNCs). However, an appropriate approach in controlling the interfacial interaction between nanoparticle and polymer in nanocomposites structure is still needed to develop. In this review, an initial brief introduction to various trending simulation techniques has been discussed at all three levels of scale (nm, μm, mm). Later, descriptive study on fundamental issues such as thermodynamics, kinetics, mechanical properties, and morphology has been studied deeply. The multiscale modeling bridges the gaps of simulation between the different scales of models from molecular to mesoscale levels working over the broad range of length and timescale. Through the sequential, adaptive, and concurrent approaches, we can develop a system that may comprehend multiscale mode modeling adaptive resolution approach has recently added approach the molecule of the subject can shift their position freely in the domain and through this approach and studied the Brownian motion. Co-The co-current coach is also termed as handshaking path and it is linked aiming at different scale models. Covering the rigid techniques smoothly and linking them at different scales helps in normalizing the statistical behaviour.

Abstract Cholesterol has ruled the history of atherosclerotic cardiovascular diseases (CVD) for decades, and the transport of cholesterol by lipoproteins has become a cornerstone of our view of etiology of the disease. Discovery of the lipoprotein-specific transport of lipid oxidation products (LOP) has opened a new and exciting area in research of CVD by revealing strong connections between atherogenic LOP, lipoprotein transport functions and CVD. This review goes through the evidence in support of the lipoprotein-specific LOP transport and speculates of possible consequences of the proposed role of lipoprotein LOP transport as a risk factor. Association of lipoprotein LOP with known risk factors of CVD are largely parallel with those of cholesterol, and due to the common transport and cellular intake mechanisms the elucidation of independent effects of either cholesterol or LOP is difficult. Yet, unlike cholesterol, LOP can directly initiate and boost atherogenic processes. It therefore appears inevitable that increasing knowledge of the lipoprotein-specific LOP transport will affect the present view of the role of cholesterol in aetiology and as a risk factor of CVD.

This study aims at investigating the catalytic performance of Pd, Pd/Pt, and Pd/Au nanocatalysts toward the 2-propanol electro-oxidation reaction (2POR) in an alkaline medium. The catalyst components (Pd, Pt, and Au) were sequentially electrodeposited onto a glassy carbon (GC) electrode surface and further characterized using electrochemical (cyclic voltammetry (CV)) and materials (Field-emission scanning electron microscopy (FE-SEM) coupled with energy dispersive X-ray (EDX)) characterization methods. The Pd/Au/GC catalyst showed the highest catalytic activity in terms of the highest oxidation current (0.386 mA) and the highest stability in terms of the highest obtained current after 1800 s of continuous electrolysis. This behaviour was attributed to the enhancement in the charge transfer kinetics where the Pd/Au/GC catalysts acquired the lowest charge transfer resistance (Rct, 1.85 kΩ) during the 2POR.

Behavior of supported alloyed and de-alloyed platinum-copper catalysts, which contained 14% - 27% wt. of Pt, was studied in the reactions of methanol electrooxidation (MOR) and oxygen electroreduction (ORR) in 0.1 M HClO4 solutions. Alloyed PtCux/C catalysts were prepared by a multistage sequential deposition of copper and platinum onto a Vulcan XC72 dispersed carbon support. De-alloyed PtCux-y/C catalysts were prepared by PtCux/C materials pretreatment in acid solutions. The effects of the catalysts initial composition and the acid treatment condition on their composition, structure, and catalytic activity in MOR and ORR were studied. Functional characteristics of platinum-copper catalysts were compared with those of commercial Pt/C catalysts when tested, both in an electrochemical cell and in H2/Air membrane-electrode assembly (MEA). It was shown that the acid pretreatment of platinum-copper catalysts practically does not have negative effect on their catalytic activity, but it reduces the amount of copper passing into the solution during the subsequent electrochemical study. The activity of platinum-copper catalysts in the MOR and the current-voltage characteristics of the H2/Air PEMFC MEAs measured in the process of their life tests were much higher than those of the Pt/C catalysts.

Fatty acids and glucose are the main bioenergetic substrates in mammals that are alternatively used during the transition between fasting and feeding. Impairment of mitochondrial fatty acid oxidation causes mitochondrial myopathy leading to decreased physical performance. Here, we report that haploinsufficiency of ADCK2, a member of the aarF domain-containing mitochondrial protein kinase family, in human is associated with liver dysfunction and severe mitochondrial myopathy with lipid droplets in skeletal muscle. In order to better understand the etiology of this rare disorder, we generated a heterozygous Adck2 knockout mouse model to perform in vivo and cellular studies using integrated analysis of physiological and omics data (transcriptomics-metabolomics). The data show that Aldh2+/- mice exhibits impaired fatty acid oxidation, liver dysfunction, and mitochondrial myopathy in skeletal muscle resulting in lower physical performance. Significant decrease in CoQ biosynthesis was observed and supplementation with CoQ partially rescued the phenotype both in the human subject and mouse model. These results indicate that ADCK2 is involved in organismal fatty acid metabolism and in CoQ biosynthesis in skeletal muscle. We propose that patients with isolated myopathies and myopathies involving lipid accumulation be tested for possible ADCK2 defect as they are likely to be responsive to CoQ supplementation.