A non-destructive analysis of proximate parameters (moisture content, MC; volatile matter, VM; fixed carbon, FC; and ash content) for a variety of chipped and ground biomasses was investigated through a combination of thermogravimetric analysis (TGA) and near-infrared spectroscopy (NIRS) with partial least squares regression (PLSR). In this study, the thermogravimetric method was employed as a tool to determine the proximate analysis data of biomass samples through TG and DTG curves, which were generated by tracking changes in biomass mass loss over time or temperature. NIRS non−destructively scanned the chipped biomass in diffuse reflectance while ground biomass using transflectance mode, covering the wavenumber range of 3594.87 to 12,489.48 cm−1. The PLSR−based models: Full−PLSR, genetic algorithm (GA)−PLSR, successive projection algorithm (SPA)−PLSR, the spectral multi−preprocessing (MP) PLSR− 5 range method, and the MP PLSR−3 range method were developed. Model performance was assessed, compared, and selected based on the coefficient of determination in the prediction set (R2P), root mean square error in the validation set (RMSEP), and the ratio of prediction to deviation (RPD). Based on the comprehensive analysis of model performance, MC and FC models of chip biomass have demonstrated satisfactory performance which makes it applicable cautiously in any application, including research. The optimum models for MC and FC in chip biomass were constructed using GA−PLSR with 2nd derivative and Full−PLSR with a constant offset, resulting in R2P values of 0.8654 and 0.8773, RMSEP values of 0.85% and 2.12%, and RPD values of 2.9 and 3.0, respectively. Other parameters such as MC and FC in ground biomass as well as VM and ash content in both chip and ground biomass were found suitable for rough screening. The sensitivity of the selected model was assessed by calculating the limit of quantification (LOQ), and the results indicated that the calculated LOQ values for VM in both chip and ground biomass and FC in chip biomass are lower than the minimum reference values used during model development, signifying a high level of sensitivity. However, for the remaining parameters, the LOQ values surpass the established minimum reference value, suggesting the model could not predict the future samples with reference value lower than the calibration range. Nevertheless, enhancing the models by incorporation an ample number of representative biomass samples and consistently validating the models with unknown samples is imperative to ensure accurate predictions.

Metal complexes of mesoionic carbenes (MICs) of the triazolylidene-type and their derivatives have gained increasing attention in the fields of electrocatalysis and photochemistry. The redox-activity of these metal complexes is critical for their applications in both the aforementioned fields. Easy accessibility and modular synthesis open a wide field for the design of ligands, such as bidentate ligands. The combination of a MIC with a pyridyl unit in a bidentate ligand setup increases the π-acceptor properties of the ligands while retaining their strong σ-donor properties. The analogy with the well-established 2,2'-bipyridine ligand allows conclusions to be drawn about the influence of the mesoionic carbene (MIC) moiety in tetracarbonyl group 6 complexes in cyclic voltammetry and (spectro-)electrochemistry (SEC). However, the effects of the different connectivity in pyridyl-MIC ligands remains underexplored. Based on our previous studies, we present here a thorough investigation of the influence of the two different pyridyl-MIC constitutional isomers on the electrochemical and the UV-vis-NIR/IR/EPR spectroelectrochemical properties of group 6 carbonyl complexes. Moreover, the presented complexes were investigated for the electrochemical conversion of CO2 using two different working electrodes, providing a fundamental understanding of the influence of the electrode material in the precatalytic activation.

Polyanilines are a class of conductive polymers that have attracted significant interest in the field of organic electronics due to their unique properties. In this article, the fluorescence spectroscopy and photovoltaic properties of polyaniline-based thin films and copolymers are investigated. The study focuses on understanding the relationship between the composition and structure of polyanilines and their optical and electrical properties. The article discusses the results of experiments on the photoluminescent properties of S1-S9 copolymers in a DMSO solution and of thin-film photoresistors based on polyanilines. The findings reveal that the photovoltaic properties of the thin films depend on the conditions of their fabrication and their surface morphology. The solubility of polyanilines is excellent, making the production of electronic components compatible with modern printing technologies in organic electronics. The work also points out that the photoconductivity of polyanilines can be improved by incorporation of additional molecular groups into the polymer matrix. Overall, this study sheds light on the potential of polyanilines as promising materials for organic electronics and provides insights into how their properties can be optimized for specific applications.

We report a detailed investigation of vibrational modes, structure, and dynamics of glutathione (GSH) solutions using ultrasonic relaxation spectroscopy, FT-IR vibrational spectroscopy and electronic absorption measurements. The experimental data were analyzed in view of density functional theory (DFT) and molecular docking calculations. Three distinct Debye-type relaxation processes are resolved in the acoustic spectra, which are assigned to conformational changes between GSH conformers, self-association of GSH, and protonation processes. The standard volume changes for each process were estimated both experimentally and theoretically revealing a close resemblance among them. The higher the effect of the relaxation process in the structure, the greater the induced volume changes. From the temperature dependence of specific acoustic parameters, the thermodynamic characteristics of each process were determined. The experimental FT-IR spectra were compared with the corresponding theoretically predicted vibrational spectra revealing that the GSH dimers and extended conformers dominate the structure of GSH solutions in the high concentration region. The absorption spectra in the ultraviolet region confirmed the gradual aggregation mechanism that takes place in the aqueous GSH solutions. The results of the present study were discussed and analyzed in the framework of the current phenomenological status of the field.

A single-crystal of ytterbium-doped “mixed” yttrium-lutetium aluminium garnet with a stoichiometric composition of (Y0.601Lu0.233Yb0.166)3Al5O12 was grown by the Czochralski method and its structure, vibronic, spectroscopic and laser properties were studied. The stimulated-emission cross-section for Yb3+ ions was maximized to 2.53×10-20 cm2 at 1031 nm, the emission bandwidth is ~8 nm and the reabsorption-free luminescence lifetime of the 2F5/2 state is 1.063 ms. Pumped at 941 nm, the Yb-laser generated a maximum output power of 1.04 W at 1.03 and 1.05 μm with a high slope efficiency of 76.4% and a laser threshold of 76 mW. A continuous wavelength tuning over a range of 51.6 nm (1026.4 - 1078.0 nm) was also achieved. Power scaling is achieved using a 969 nm-diode pumped microchip cavity. A maximum output power of ~9 W is obtained at 1.05 μm with a slope efficiency of 76% and with an almost circular laser beam profile.

N-maleimide-derivatized phospholipids are often used to facilitate protein anchoring to membranes. In autophagy studies, this is applied to the covalent binding of Atg8, an autophagy protein, to a phosphatidylethanolamine (PE) in the nascent autophagosome. However, the question remains on how closely the N-maleimide PE derivative (PE-mal) mimicks the native PE in the bilayer. In the present paper, spectroscopic and calorimetric techniques have been applied to vesicles containing either PE or PE-mal (together with other phospholipids) to compare the properties of the native and derivatized forms of PE. According to differential scanning calorimetry, and to infrared spectroscopy, the presence of PE-mal did not perturb the fatty acyl chains in the bilayer. Fluorescence spectroscopy and microscopy showed that PE-mal did not alter bilayer permeability either. However, fluorescence emission polarization of Laurdan and DPH probes indicated an increased order, or decreased fluidity, in the bilayers containing PE-mal. In addition, infrared spectral data from the phospholipid phosphate region revealed a PE-mal-induced conformational change of the polar heads, accompanied by an increased hydration. Globally considered, the results suggest that PE-mal would be a reasonable substitute for PE in model membranes containing reconstituted proteins.

The growing interest in Na-ion batteries as a “beyond lithium” technologies for energy storage drives the research for high-performance and environment-friendly materials. Na2Ti3O7 (NTO) as an eco-friendly, low-cost anode material shows a very low working potential of 0.3 V vs Na+/Na but suffers from poor cycling stability, which properties can be significantly influenced by materials synthesis and treatment. Thus, in this work, the influence of the calcination time on the electrochemical performance and the reaction mechanism during cycling were investigated. NTO heat-treated for 48 h at 800 °C (NTO-48h) demonstrated enhanced cycling performance in comparison to NTO heat-treated for only 8 h (NTO-8h). The pristine material was thoroughully characterized by X-ray diffraction, laser granulometry, X-ray photoelectron spectroscopy, and specific surface area measurements. The reaction mechanisms induced by sodiation/desodiation and cycling were investigated by opernado XRD. Electrochemical impedance spectroscopy was used to evidence the evolution of the solid electrolyte interface layer (SEI) and modification of charge transfer resistances as well as the influence of cycling on capacity decay. The evolution of the crystallographic structure of NTO-48h revealed a more ordered structure and lower surface contamination compared to NTO-8h. Moreover, the residual Na4Ti3O7 phase detected after the sodium extraction step in NTO-8h seems correlated to the lower electrochemical performance of NTO-8h compared to NTO-48h.

Over the past decade, plasma waste treatment has become a more prominent technology due to increasing problems with waste disposal and realizing opportunities to generate valuable co-products. Plasma waste treatment extensively uses atmospheric pressure (RF) inductive coupled plasma (ICP) torches. In situ Optical Emission Spectroscopy (OES) is used to evaluate the developed RF ICP torch for Municipal Solid Waste (MSW) treatment and ascertain the plasma parameters to understand the physical mechanism involved. The argon plasma jet's electron temperature and plasma density outside the torch chamber are calculated using the Boltzmann plot and Stark broadening at different gas flow rates, and RF power. The expected electron temperature and plasma density behaviour were observed at a low gas flow rate. The electron temperature decreases with the RF power from 8089 K to 6097 K as demand for increasing the plasma density. An energy loss mechanism was revealed while raising the gas flow rate, as the electron temperature increases with RF power from 5750 K to 6221 K, and the plasma density decreases. This behaviour is due to the anomalous skin effect. Detecting and avoiding this phenomenon is essential as it negatively affects torch energy efficiency and waste treatment.

Bismuth sodium titanate thin films (BNT) were deposited on Pt/SiN substrates by Sol-Gel spin coating technique under O2 atmosphere. Microstructural, structural, and electrical properties of the obtained film were investigated. Scanning electron microscopy and atomic force microscopy micrographs were used to analyze the microstructure of the films. Furthermore, EDX analysis revealed a Na-deficient composition for the obtained film. X-ray diffraction and Raman spectroscopy allowed the identification of a pure perovskite BNT phase. Dielectric, ferroelectric, and leakage current measurements revealed good frequency stability of the dielectric constant and dielectric losses for BNT thin film. The results are discussed in terms of Na-deficiency effects on the defect structure of BNT. Further, the film showed attractive electrostatic energy storage properties with energy density that exceeds 1.04 J/cm3 under E = 630 kV/cm.

PdRe/Al2O3 catalysts are highly selective for hydrogenation of furfural to furfuryl alcohol (FAL). Moreover, synergy between the metals can result in greater specific activity (higher turnover frequency, TOF) than exhibited by either metal alone. Bimetallic catalyst structure depends strongly on the metal precursors employed and their addition sequence to the support. In this work, PdRe/Al2O3 catalysts were prepared by: (i) co impregnation (CI) and sequential impregnation (SI) of  Al2O3 using HReO4 and Pd(NO3)2, (ii) SI using NH4ReO4 and [Pd(NH3)4(NO3)2], (iii) HReO4 addition to a reduced and passivated Pd/Al2O3 catalyst, and (iv) impregnation with the double complex salt (DCS), [Pd(NH3)4(ReO4)2]. Raman spectroscopy and temperature-programmed reduction (TPR) evidence larger supported PdO crystallites in catalysts prepared using Pd(NO3)2 than [Pd(NH3)4(NO3)2]. Surface [ReO4]- species detected by Raman exhibit TPR peak temperatures from ranging 85 to 260°C (versus 375°C for Re/Al2O3). After H2 reduction at 400°C, the catalysts were characterized by chemisorption, temperature-programmed hydride decomposition (TPHD), CO diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), and scanning transmission electron microscopy (STEM) with energy-dispersive x-ray (EDX) spectroscopy. The CI catalyst containing supported Pd-Re alloy crystallites had a TOF similar to Pd/Al2O3 but higher (61%) FAL selectivity. In contrast, catalysts prepared by methods (ii-iv) containing supported Pd-Re nanoparticles exhibit higher TOFs and up to 78% FAL selectivity.

In this work, some micro-samples belonging to the open-air rock art site of Cueva de la Vieja (Alpera, Albacete, Spain) were analysed. These samples were collected after and before a desalination treatment carried out with the aim of removing a whitish layer of concretion that affected the painted panel. The diagnostic study was performed to study the conservation state of the panel and then to confirm the effectiveness of treatment. Micro energy dispersive X-ray fluorescence spectrometry, Raman spectroscopy and X-ray diffraction were employed for the characterization of the degradation product as well as that of mineral substrate and pigments. The micro-samples analysis demonstrated that the painted layer was settled on a dolomitic limestone with silicon aggregates and aluminosilicates as well as iron oxides. The whitish crust was composed by sulfate compounds like gypsum (CaSO4·2H2O) with minor amount of epsomite (MgSO4.7H2O). An extensive phenomenon of biological activity was demonstrated since, in almost all the samples analysed, the presence of calcium oxalates monohydrate (CaC2O4H2O) and dehydrate (CaC2O42H2O) were found. Probably the presence of both calcium oxalates had favoured the conservation of pictographs. In addition, some carotenoids pigments, scytonemin (C36H20N2O4) and astaxanthin (C40H52O4) were characterized both by Raman spectroscopy and by X-ray diffraction. Hematite was found as a pigment voluntarily used for the painting of the panels used in mix with hydroxyapatite and amorphous carbon. The results of the analyses of the samples taken after the cleaning treatment confirmed a substantial decrease in sulphate patina on the panel surface.

Vascular endothelial growth factor (VEGF) is a important biomarker with significant clinical importance. It plays a key role in angiogenesis, would healing, tumor growth, lung development, and in retinal diseases. Hence, detecting and quantifying VEGF is crucial in clinical diagnosis and prognosis of various diseases. In this work, a simple but highly cost-effective platform is developed for VEGF protein detection by using commercially available interdigitated sensors that are modified through surface chemistry tagged with DNA aptamer grafting. The dielectric characteristics between the fingers of sensor is modulated by the negatively charged aptamer-VEGF capture and the impedance is estimated using impedance analyzer. Impedance spectra tests was compared between pristine unmodified, functionalized monolayer surfaces and aptamer-grafted surfaces in order to evaluate the efficacy of VEGF detection. In our results, the sensitivity experiments as conducted had shown the ability of the interdigitated sensor to detect VEGF at a low concentration of 5 pM. The specificity of the functionalized sensor in detecting VEGF is further studied by comparing the impedance to platelet-derived growth factor (PDGF), and the results confirm the specificity of the sensor. Finally, an alternative illustration of impedance spectra is also proposed to improve the data visualization, and such presentation may be potential for intelligent VEGF detection.

The Bayer process is the maim method of alumina production worldwide. The use of low-quality bauxites for alumina production results in the formation of a significant amount of technogenic waste - bauxite residue (BR). The Bayer reductive method is one possible way to eliminate BR stockpiling, but it requires high-pressure leaching at temperatures higher than 220 °C. In this research, the possibility of boehmitic bauxite atmospheric pressure leaching at both the first and second stages or high-pressure leaching at the second stage with the simultaneous reduction of hematite was investigated. Bauxite and solid residue after NaOH leaching were characterized using XRD, SEM-EDS, and Mössbauer spectroscopy methods. The first stage of leaching under atmospheric pressure with the addition of Fe(II) species in a strong alkali solution (330-400 g L–1 Na2O) results in a partial reduction of the iron minerals and an extraction of more than 60% of Si and 5-25% of Al (depending on caustic modulus of solution) after 1 h. The obtained desilicated bauxite was subjected to atmospheric leaching at 120 °C in a strong alkali solution (350 g L-1) or high-pressure leaching at 160-220 °C using the Bayer process mother liquor in order to obtain a concentrate with a magnetite content higher than 83 wt. %.

The spike protein (S) of SARS-CoV-2 has been shown to bind to the human angiotensin-converting enzyme 2 (ACE2) receptor with much higher affinity compared to other coronaviruses. The binding interface between the ACE2 receptor plays a critical role in the entry mechanism of SARS-CoV-2 virus. There are specific amino acids involved in the interaction between S protein and ACE2 receptor. This specificity is critical for the virus to establish a systemic infection and cause COVID-19 disease. In the ACE2 receptor, the largest number of amino acids that play a crucial role in the mechanism of interaction and recognition with the S protein are located in the C-terminal part which represents the main binding region between ACE2 and S. This fragment is abundant in coordination residues such as aspartates, glutamates and histidine that could be targeted by metal ions. Zn²⁺ ion binds to the ACE2 receptor in its catalytic site and modulates its activity, but it could also contribute to the structural stability of the entire protein. The ability of the human ACE2 receptor to coordinate metal ions, such Zn²⁺, in the same region where it binds to the S protein could have a crucial impact in the mechanism of recognition and interaction of ACE2-S with consequences on their binding affinity that deserve to be investigated. To test this possibility, this study aims to characterize the coordination ability of Zn²⁺, and also Cu²⁺ for comparison, with selected peptide models of the ACE2 binding interface using spectroscopic and potentiometric techniques.

Lipoproteins are important cardiovascular (CV) risk biomarkers. This study aimed to investigate the associations of lipoprotein subclasses with micro- and macrovascular biomarkers to better understand how these subclasses relate to atherosclerotic CV diseases. One hundred fifty-eight serum samples from the EXAMIN AGE study, consisting of healthy individuals and CV risk patients, were analyzed by nuclear magnetic resonance (NMR) spectroscopy to quantify lipoprotein subclasses. Microvascular health was quantified by measuring retinal arteriolar and venular diameters. Macrovascular health was quantified by measuring carotid-to-femoral pulse wave velocity (PWV). Nineteen lipoprotein subclasses showed statistically significant associations with retinal vessel diameters and nine with PWV. These lipoprotein subclasses together explained up to 26% of variation (R²=0.26, F(29,121)=2.80, p<0.001) in micro- and 12% (R²=0.12, F(29,124)=1.70, p=0.025) of variation in macrovascular health. High-density (HDL-C) and low-density lipoprotein cholesterol (LDL-C) as well as triglycerides together explained up to 13% (R²=0.13, F(3,143)=8.42, p<0.001) of micro and 8% (R²=0.08, F(3,145)=5.46, p=0.001) of macrovascular variation. Lipoprotein subclasses seem to reflect micro- and macrovascular end organ damage more precisely as compared to only measuring HDL-C, LDL-C and triglycerides. Further studies are needed to analyse how the additional quantification of lipoprotein subclasses can improve CV risk stratification and CV disease prediction.

Raman Spectroscopy has long been anticipated to augment clinical decision making, such as classifying oncological samples. Unfortunately, the complexity of Raman data has thus far inhibited its routine use in clinical settings. Traditional machine learning models have been used to help exploit this information, but recent advances in deep learning have the potential to improve the field. However, there are a number of potential pitfalls with both traditional and deep learning models. We conduct a literature review to ascertain the recent machine learning methods used to classify cancers using Raman spectral data. We find that while deep learning models are popular, and ostensibly outperform traditional learning models, there are many methodological considerations which may be leading to an over-estimation of performance: primarily, small sample sizes which compound upon sub-optimal choices regarding sampling and validation strategies. Amongst several recommendations is a call to collate large benchmark Raman datasets, similar to those that have helped transform digital pathology, which researchers can use to develop and refine deep learning models.

Enzymatically active nanocomposites are a perspective class of bioactive materials that finds their application in numerous fields of science and technology ranging from biosensors and therapeutic agents to industrial catalysts. Key properties of such systems are their stability and activity under various conditions, the problems that are addressed in any research devoted to this class of materials. Сomprehension ща the principles that affect these properties play the most important role in the development of the field, especially when it takes to a new class of bioactive systems. Recently, a new class of enzymatically doped magnetite-based sol-gel systems emerged and paved the way for a variety of potent bioactive magnetic materials with improved thermal stability. Such systems already showed themself as perspective industrial and therapeutic agents, but are still under intense investigation and many aspects are still unclear. Here we made a first attempt to describe the interaction of biomolecules with magnetite-based sol-gel materials and to investigate facets of protein structure rearrangements occurring within the pores of magnetite sol-gel matrix using dedicate Fourier-transform infrared spectroscopy.

Rotational microwave jet spectroscopy studies of the monoterpenol α-fenchol have so far failed to identify its second expected torsional conformer, despite computational predictions that it is only very slightly higher in energy than the most stable conformer. Vibrational FTIR and Raman jet spectroscopy investigations reveal unusually complex OH and OD stretching spectra compared to other alcohols. Via modelling of the torsional states, observed spectral splittings are explained by delocalization of the hydroxy hydrogen atom through quantum tunneling between the two non-equivalent but accidentally near-degenerate conformers separated by a low and narrow barrier. The energy differences between the torsional states are determined to be only 16(1) and 7(1) cm$^{−1}hc$ for the protiated and deuterated alcohol, respectively, which further shrink to 9(1) and 3(1) cm$^{−1}hc$ upon OH or OD stretch excitation. Comparisons are made with the more strongly asymmetric monoterpenols borneol and isopinocampheol as well as with the symmetric, rapidly tunneling propargyl alcohol. Assigned are also for α-fenchol the third – in contrast localized – torsional conformer and the most stable dimer, as well as for propargyl alcohol the two most stable dimers.

A major limitation of near-infrared spectroscopy (NIRS) is its high sensitivity to the scalp and low sensitivity to the brain of adult humans. In the present work we use multi-distance hyperspectral NIRS (hNIRS) to investigate the optimal source-detector distances, range of wavelengths, and analysis techniques to separate cerebral responses to 30-s breath holds (BHs) from the responses in the superficial tissue layer in healthy adult humans. We observed significant responses to BHs in the scalp hemodynamics. Cerebral responses to BHs were detected in the cytochrome C oxidase redox (rCCO) at 4 cm without using data from the short-distance channel. Using the data from the 1 cm channel in the two-layer regression algorithm showed that hemodynamic and rCCO responses also occurred at 3cm. We found that the waveband 700-900 nm was optimal for the detection of cerebral responses to BHs in adults.

Senna alata (Linn) Roxb. plant is widely used to manage various infections in folkloric medicine. Methicillin-resistant Staphylococcus aureus (MRSA) infection continues to be a major global public health problem. This study aims to investigate the bioactive components of S. alata leaves active against MRSA. The leaves of S. alata were sequentially extracted and fractionated using standard methods and screened for activities against MRSA. The diethyl ether active thin layer chromatography (TLC) spot was subjected to infrared (IR) and gas chromatography-mass spectroscopic (GC-MS) studies. The aqueous extract and diethyl ether fraction of S. alata leaves elicited the highest activity against the MRSA. The GC-MS analysis of the fraction produced 15 eluates; only the sub-fraction 13 was effective. The TLC analysis of the sub-fraction 13 revealed three spots; only the second spot produced activity. The GC-MS result of the spot showed six peaks. The spectral results for peak 3 match the data from the IR study suggestive of 9-octadecenoic acid methyl ester. Senna alata leaves possess bioactive compounds closely related to 9-octadecenoic acid methyl ester with potent antibacterial activity against MRSA.

The application of electrospray ionization mass spectrometry (ESI-MS) as a direct method for detecting reactive intermediates is a technique of developing importance in the routine monitoring of solution-phase reaction pathways. Here, we utilize a novel on-line photolysis ESI-MS approach to detect the photoproducts of riboflavin in aqueous solution under mildly alkaline conditions. Riboflavin is a constituent of many food products, so its breakdown processes are of wide interest. Our on-line photolysis setup allows for solution-phase photolysis to occur within a syringe using UVA LEDs, immediately prior to being introduced into the mass spectrometer via ESI. Gas-phase photofragmentation studies via laser-interfaced mass spectrometry of deprotonated riboflavin, [RFH], the dominant solution-phase species under the conditions of our study, are presented alongside the solution-phase photolysis. The results obtained illustrate the extent to which gas-phase photolysis methods can inform our understanding of the corresponding solution-phase photochemistry. We determine that the solution-phase photofragmentation observed for [RFH] closely mirrors the gas-phase photochemistry, with the m/z 241 ion being the only major condensed-phase photoproduct. Further gas-phase photoproducts are observed at m/z 255, 212, and 145. The value of exploring both the gas- and solution-phase photochemistry to characterize photochemical reactions is discussed.

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

Protein oligomerzation is key to countless physiological processes, but also to abnormal amyloid conformations implicated in over 25 mortal human diseases. Angiogenin (h-ANG), a ribonuclease A family member, produces RNA fragments that regulate ribosome formation, the creation of new blood vessels and stress granule function. Too little h-ANG activity leads abnormal protein oligomerization resulting in Amyotrophic Lateral Sclerosis (ALS) or Parkinson’s disease. While a score of disease linked h-ANG mutants has been studied by X-ray diffraction, some elude crystallization. There is also debate regarding the structure that RNA fragments adopt after cleavage by h-ANG. Here, to better understand the beginning of the process that leads to aberrant protein oligomerization, the solution secondary structure and residue-level dynamics of WT h-ANG and two mutants: H13A and R121C, are characterized by multidimensional heteronuclear NMR spectroscopy under near physiological conditions. All three variants are found to adopt well folded and highly rigid structures in solution, although the elements of secondary structure are somewhat shorter than those observed in cystallography studies. R121C alters the environment of nearby residues only. By constrast, the mutation H13A affects local residues as well as nearby active site residues residues K41 and H119. The conformation characterization by CD and 1D 1H NMR spectroscopies of tRNAAla before and after h-ANG cleavage reveals a retention of most duplex structure and little or no G-quadruplex formation.

In this work, a deep characterization of the properties of K6Ta10.8O30 microrods has been performed. The starting material used to grow the microrods has been recovered from mining tailings coming from the Penouta Sn-Ta-Nb deposit, located in the north of Spain. The recovered material has been submitted to a thermal treatment to grow the microrods. Then, they have been characterized by scanning electron microscopy, X-ray diffraction, micro-Raman and micro-photoluminescence. The results of our study confirm that the K6Ta10.8O30 microrods have a tetragonal tungsten bronze-like crystal structure, which can be useful for ion-batteries and photocatalysis.

To assess cognitive impairment and affective symptoms and their association with damage to normal-appearing white matter (NAWM) in patients with clinically isolated syndrome (CIS), we compared neuropsychological test scores between patients with CIS and healthy controls, and examined correlations between these and proton magnetic resonance spectroscopy (1H-MRS) outcomes in patients with CIS. Forty patients with CIS and 40 healthy participants were tested with the set of neuropsychological tests, the Beck Depression Inventory (BDI) and the Hospital Anxiety and Depression Scale (HADS). Single-voxel 1H-MRS was performed on frontal and parietal NAWM of patients with CIS to assess ratios of N-acetyl-aspartate (NAA) to creatine (Cr), myo-inositol (mI), and choline (Cho), as well as mI/Cr and Cho/Cr ratios. Patients with CIS had lower cognitive performance, higher scores for the BDI and anxiety subscale of HADS than healthy controls. There were significant correlations between the following neuropsychological tests and metabolic ratios in the frontal NAWM: Stroop Color-Word Test and Cho/Cr, Symbol Digit Modalities Test and mI/Cr as well as NAA/mI, Go/no-go reaction time and NAA/Cho as well as NAA/mI, Californian Verbal Learning Test and NAA/Cr. BDI scores were related to frontal NAA/mI and parietal NAA/Cr and Cho/Cr ratios, whereas HADS-depression scores were associated with frontal NAA/Cr and NAA/mI, and parietal NAA/Cr and Cho/Cr ratios. HADS-anxiety correlated with parietal NAA/Cr ratio. This study suggests that neurochemical changes in the NAWM assessed with single-voxel 1H-MRS are associated with cognitive performance and affective symptoms in patients with CIS.

The paper focuses of the interaction between tungsten (W) wire and microwave field in carbon dioxide (CO2) atmosphere. Our experimental set-up uses a microwave plasma generator in order to generate the plasma from the metallic wires. The microwave plasma generator contain a cylindrical cavity - TM_011 propagation modes, commercial source (magnetron) having the 2.45 GHz frequency at 800 W microwave and power supply. In the focal point of the cylindrical cavity we have a high energy of the electromagnetic radiation. The metallic wires from this area will be vaporized and ionized having as effect CO2 dissociation. The electron temperature regarding metallic plasma produced was estimated using the ratio of atomic emission lines acquired by a high definition of the optical multichannel spectrometer. Determination of the CO2 dissociation quantity was estimated measuring of the carbon monoxide (CO) resulting of the CO2 dissociation process. We obtained a high electron temperature of the plasma and a strong dissociation of the CO2.

Many strategies have been developed for the synthesis of silicon carbide (SiC) thin films on silicon (Si) substrates by plasma-based deposition techniques, especially plasma enhanced chemical vapor deposition (PECVD) and magnetron sputtering, due to importance of these materials for microelectronics and related fields. A drawback is the large lattice mismatch between SiC and Si. The insertion of a thin aluminum nitride (AlN) buffer layer between them has been shown useful to overcome this problem. Herein, the high-power impulse magnetron sputtering (HiPIMS) technique was used to grow SiC thin films on AlN/Si substrates. Furthermore, the SiC films were also grown on Si substrates. Comparisons of the structural and chemical properties of SiC thin films grown on the two types of substrates allowed us to evaluate the influence of AlN buffer layer on such properties. The chemical composition and stoichiometry of the samples were investigated by Rutherford backscattering spectrometry (RBS) and Raman spectroscopy, while the crystallinity was characterized by grazing incidence X-ray diffraction (GIXRD). Our set of results evidenced the versatility of HiPIMS technique to produce polycrystalline SiC thin films at near room temperature only varying the discharge power. In addition, this study opens up a feasible route for the deposition of crystalline SiC films with a good structural quality using AlN buffer layer.

A fast and effective determination method of different species of vegetable seeds oil is vital in the plant oil industry. The near-infrared reflectance spectroscopy (NIRS) method was developed in this study to massively analyze the oil and moisture contents of Camellia gauchowensis Chang and C. semiserrata Chi seeds kernels. In the prediction models of NIRS, the levels of accuracy obtained were sufficient for C. gauchowensis Chang and C. semiserrata Chi, the correlation coefficient of which oil were 0.983 and 0.962, respectively, while which of moisture were 0.937 and 0.907, respectively. The near infrared spectrum of crush seeds kernels was more precise compared to intact kernels. Based on the calibration models of the two Camellia species, the NIRS predictive oil contents of C. gauchowensis Chang and C. semiserrata Chi seeds kernels were 48.71 ± 8.94% and 31.71 ± 7.39%, respectively, and the NIRS predictive moisture contents were 4.39 ± 1.08% and 3.49 ± 0.71%, respectively. Compared with the traditional chemical measurement, the rapid, precise measurement of oil and moisture of C. gauchowensis Chang and C. semiserrata Chi seeds kernels can be actualized by NIRS method.

This work examines atomic and molecular signatures in laser-induced plasma in standard ambient temperature and pressure environments, including background contributions to the spectra that depend on the laser pulse-width. Investigations include solids, gases, and nano-particles. Abel inversions of measured line-of-sight data reveal insight into the radial plasma distribution. For nominal 6 nanosecond laser pulses and for pulse-energies in the range of 100 to 800 milli-Joules, expansion dynamics and turbulence due to shock phenomena are elucidated to address local equilibrium details that are frequently assumed in spatially averaged emission spectroscopy. Chemical equilibrium computations reveal temperature dependence of selected plasma species. Specific interests include atomic hydrogen (H) and cyanide (CN). The atomic H spectra, collected following optical breakdown in ultra-high-pure hydrogen and 9:1 mixtures of ultra-pure hydrogen and nitrogen gases, indicate spherical shell structures and isentropic expansion of the plasma kernel over and above the usual shockwave. The recombination radiation of CN emanates within the first 100 nanoseconds for laser-induced breakdown in a 1:1 CO₂:N₂ gas mixture when using nanosecond laser pulses to create the micro-plasma. The micro-plasma is generated using 1064 nm, 150 mJ, 6 ns Q-switched Nd:YAG laser radiation. Measurements of the optical emission spectra utilize a 0.64 m Czerny-Turner type spectrometer and an intensified charge-coupled device.

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

A theoretical analysis of haemoglobin (Hb) concentration detection is presented in this work with the objective of achieving more sensitive detection and monitoring low concentrations. Surface-enhanced SPR spectroscopy on silver nanoparticles was employed for recording Hb concentrations less than 10 g/L. In this paper, Fe₃O₄@Au core-shell, nanocomposite spherical nanoparticle consisting of a spherical Fe₃O₄ core covered by Au shell, was used as an active material for biomolecules detection in the Surface Plasmon Resonance (SPR)-based biosensor in the wavelength 632.8 nm. We present the simulation of detection amplification technique through Attenuated Total Reflection (ATR) spectrum in the Kretschmann configuration. The system consists of a four-layer material i.e prism/Ag/Fe₃O₄@Au+Hb/air. Dielectric function determination of the core-shell nanoparticle (Fe₃O₄@Au) and the composite (Fe₃O₄@Au+Hb) was done by applying the Effective Medium Theory approximation and the calculation of the reflectivity is carried out by varying the size of core-shell (r₀). In this simulation, the refractive index of the BK7 prism is 1.51; the refractive index of Ag thin film is 0.13455+3.98651i with the thickness of 40 nm, and the refractive index of the composite is varied depending on the size of nanoparticle core-shell. Our results show that by varying the radius of the core and the shell thickness, the dip of the reflectivity (ATR) spectrum is shifted to the larger angle of incident light and the addition of core-shell in the conventional SPR-based biosensor leads to enhancement of the SPR biosensor sensitivity, for the core-shell radius 10 nm, the sensitivity increased by 1.35% for F = 0.1, and by 4.89% for F =0.8 compared to the sensitivity of the conventional SPR-based biosensor without core-shell addition.

We attempted to apply the optoelectronic sensor entitled 'OPT101' in intensive care unit clinics, based on its optoelectronic response characteristics in near-infrared wavelength range and near-infrared spectroscopy principle. The successful novel applications in our lab include early-diagnosis and therapeutic effect tracking of thrombus, noninvasive monitoring of patients' shock severity, and fatigue evaluation. This study also expects further improvements of the detector in noninvasive clinical applications.

κ Draconis is a binary system with a classical Be star as the primary component. Its emission-line spectrum consists of hydrogen lines, notably the Hα line with a peak intensity ratio (V/R) variations phase-locked with the orbital period P = 61.55 days. Among binaries demonstrating the Be phenomenon, κ Dra stands out as one of a few systems with a discernible mass of its secondary component. Based on more than 200 spectra obtained in 2014 − 2023, we verified the physical parameters and constructed the mass function. We used part of these data obtained in 2014 − 2021 to investigate regions in the circumstellar disk of the primary component that emit the Hα line using the Doppler tomography method. The results show that the disk has a non-uniform density distribution with a prominent enhancement at Vy≈ 99 km s−1 and Vx≈−6 km s−1 that corresponds to a cloud-like source of the double-peaked Hα line profile. We argue that this enhancement’s motion is responsible for the periodic variations of the Hα V/R ratio, which is synchronised in orbital phase with the radial velocity (RV) of absorption lines from the atmosphere of the primary component.

Nepal, primarily an agricultural country, heavily relies on agricultural residue and fuelwood for daily energy requirements. In 2022, total energy consumption was 640 PJ, with traditional sources accounting for 64.17%, and fuelwood comprising 58.53% of total fuel consumption. The estimated potential supply of agricultural residue is 26 million tonnes, yielding about 442 million GJ of energy in 2021. Biomass trading often emphasizes volume or weight, necessitating a rapid and non-destructive assessment of energy properties for mutual benefit, aiding in the identification, management, and utilization of biomass sources. In this study, 200 biomass samples were collected in two batches (126 and 74 samples) from various locations in Nepal. Using Partial Least Squares Regression (PLSR), a model was developed correlating higher heating value (HHV) from a bomb calorimeter and spectral data from Fourier Transform near-infrared spectroscopy (FT-NIRS) (3595 – 12,489 cm-1) sensor. PLSR models incorporated raw spectra, eight preprocessing techniques, the multi-preprocessing five-range method, and a genetic algorithm. Outliers in the first batch were identified, and the first batch divided into an 80% calibration set and a 20% validation set, while the second batch was designated as an unknown sample set. The optimum PLSR model, utilizing first derivative preprocessing, improved accuracy by 6.77%, with coefficients of determination in the calibration set, validation set, and unknown set as 0.9694, 0.9578, and 0.8089, respectively. Root mean square errors were 132.4790 J/g, 189.4800 J/g, and 360.8845 J/g for the calibration set (RMSEC), validation set (RMSEP), and unknown set (RMSEUN), respectively. The prediction to deviation ratio (RPD) for the validation set and unknown set was 4.9 and 2.4, respectively. The cross validation model of combined sample data of every sets showed the R2CV of 0.95 and RPDCV of 4.6 indicating the model could serve as a reliable and swift non-destructive alternative for evaluating biomass HHV using NIRS and ready for updating for industrial use. However, incorporating a larger number of representative samples is crucial to enhance accuracy and develop a more comprehensive global model for predicting biomass HHV.

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.

High-throughput research on bimetallic nanoparticles brought a vast overview of their characteristics and catalytic activities.¹ However, traditional bimetallic nano-allloy quantification methods serving catalyst preparations are not suitable for the fast and robust data output of high-throughput experiments. Hence, this work designed and validated a more fast, more neat, and reliable quantitative analysis using X-ray fluorescence spectroscopy for bimetallic nanoparticles synthesized by high-throughput setups. The results demonstrated this method to be accurate with high precision. Furthermore, the agreement to qualitative results from an energy-dispersive X-ray spectrometer equiped on a scanning electron microscope provided an option to quantify a bimetallic nano-alloy by just analyzing one of the two composing elements. Thus, this method is proved to be highly compatible with high-throughput experiments.

Blood testing is a crucial application in the field of clinical studies for disease diagnosis and screening, biomarkers discovery, organ function assessment, and personalized medication. Therefore, it is of utmost importance to collect precise data in a short time. In this study, we utilized Raman spectroscopy to analyze blood samples and extracted comprehensive biological information, including the primary components and compositions present in the blood. We conducted short-wavelength (532 nm green light) Raman scattering spectroscopy on blood samples, plasma, and serum, and subsequently analyzed the biological characteristics detected in each sample type. Our results indicated that whole blood had high hemoglobin content, which suggests that hemoglobin is a major component of blood. The characteristic Raman peaks of hemoglobin were observed at 690, 989, 1015, 1182, 1233, 1315, and 1562–1649 cm−1. Analysis of plasma and serum samples indicated the presence of β-carotene, which exhibited characteristic peaks at 1013, 1172, and 1526 cm−1. Additionally, in the field of medical blood testing, the novel 3D Silicon micro-channel device technology holds immense potential. It can serve as a substrate and helps to detect various diseases and biomarkers, providing real-time data to help medical professionals and patients better understand their health conditions. Changes in biological data collected in this manner could potentially be used to diagnose clinical diseases.

Currently, synthetic diamonds are finding new applications. Quantum devices can be created based on diamond plates with the desired concentration of defects in the structure of the crystal lattice. NV color centers can be used in quantum applications by irradiating plates with high-energy particles, followed by annealing at temperatures above 800°C to develop the spin-optical properties of the centers Diamond plates are subjected to electron irradiation and much less often to proton irradiation. As a result, synthetic diamond plates with NV centers ob-tained by proton irradiation are less studied, although proton irradiation makes it possible to obtain a layered structure of NV centers. In this work, single crystal diamond plates irradiated with protons were studied using polarization microscopy, IR spectroscopy and ODMR spectros-copy. It is shown that when creating NV centers, the distribution and concentration of C – defects in the sample, as well as mechanical stresses before and after irradiation (with subsequent an-nealing), can differ significantly from each other.

Petrosamine (1) – a colored pyridoacridine alkaloid from the Belizean sponge, Petrosia sp. that is also a potent inhibitor of acetylcholine esterase (AChE) – was investigated by spectroscopic and computational methods. Analysis of the petrosamine free energy landscapes, pKa and tautomerism revealed an accurate electronic depiction of the molecular structure of 1 as the di-keto form, with net charge of q = +1, rather than a dication (q = +2) under ambient conditions of isolation-purification. The pronounced solvatochromism (UV-vis) reported for 1, and related analogs, was investigated in detail and is best explained by charge delocalization and stabilization of the ground state (HOMO) of 1 rather than an equilibrium of competing tautomers. Refinement of the molecular structure of 1 by QM methods complements published computational docking studies to define the contact points in the enzyme active site that may improve design of new AChE inhibitors based on the pyridoacridine alkaloid molecular skeleton.

Food safety and quality are the first steps in the food chain. This work reports a low-cost and easy-to-use optoelectronic measurement system for improving feed chain quality and safety, based on near-infrared spectrometry (NIRS) technology. This is a significant challenge for dairy farm technicians and producers who need rapid and reliable knowledge of forage quality on their farms. In most cases, instrumentation suitable for these specifications is expensive and difficult to operate. The core of the measurement system is Texas Instruments´ NIRscan Nano Evaluation Module (EVM) spectrometer. This module has a large sensing area and high resolution suitable for forage samples. To evaluate the feasibility of the prototype to analyze agrifood samples, different ways of presenting the sample, intact or ground, were tested. The final objective of the research is not just to check the efficiency of the proposed system. It is also to determine the measurement system characteristics and how to improve them.

Background: In recent years, the assessment and guidance of cardiopulmonary resuscitation (CPR) quality using noninvasive and invasive monitoring techniques have been increasingly recommended. In this study, we introduce a new physiological monitoring system that simultaneously measures arterial pressure (AP), venous pressure (VP), and cerebral tissue oxygen saturation (SctO2) during CPR. Methods: This prospective observational study was conducted at a single center (Kagoshima City Hospital). Adult out-of-hospital patients aged ≥18 years with an intravenous femoral arterial line, venous line, and SctO2 monitor were included. We measured femoral arterial pressure (FAP) and femoral venous pressure (FVP) invasively if catheters were immediately inserted into the femoral artery and vein for potential candidates who require interventions such as extracorporeal cardiopulmonary resuscitation but did not receive such interventions as a result. Results: We observed several representative cases that provided the following insights: We presented several cases, including two patients with significant increases in FVP and low SctO2 values, and in both cases, return of spontaneous circulation (ROSC) was not achieved. In contrast, we also presented two cases in which CPR resulted in higher FAP compared to FVP and an upward trend in SctO2 values was observed, and both instances achieved ROSC. Conclusion: We presented a simultaneous physiological monitoring system that can monitor AP, VP, and SctO2 during CPR. Further case accumulations will be necessary to assess the variations in hemodynamic status during CPR and the association between each hemodynamic status and outcomes after cardiac arrest.

Graviera is a very popular yellow hard cheese produced in mainland Greece and the Aegean islands, and in three PDO (Protected Denomination of Origin) locations. Apart from geographic location, milk type and production practices are also factors that affect cheese composition, and make this dairy product unique in taste and aroma. In this work, 1H NMR spectroscopy in combination with chemometrics has been used to determine the metabolite profile (40 compounds) of graviera cheese produced in different geographic locations, with emphasis on cheeses produced on the island of Crete. Organic acids and amino acids were the main components quantified in the polar cheese fraction, while the fatty acid composition of the lipid fraction was also obtained. Analysis of Variance (Anova) of the dataset showed that γ-aminobutyric acid (GABA), conjugated linoleic acids (CLA) and linoleic acid differentiate gravieras produced in different areas of Crete, and that total amino acid content was higher in cheeses produced in eastern Crete. Targeted Discriminant Analysis models classified gravieras produced in mainland Greece, Cyclades and Crete based on differences in 1,2-diglycerides, sterols, GABA and fatty acid composition. Targeted and untargeted OPLS-DA models were capable of differentiating between gravieras produced in the island of Crete and hold promise as the basis for the authentication of PDO graviera products.

Hypoxic-ischemic encephalopathy (HIE) secondary to perinatal asphyxia occurs when the brain does not receive enough oxygen and blood. A surrogate marker for ‘intact survival’ is necessary for the successful management of HIE. The severity of HIE can be classified based on clinical presentation, including presence of seizures, using a clinical classification scale called Sarnat staging; however, Sarnat staging is subjective and the score changes over time. Furthermore, seizures are difficult to detect clinically and are associated with a poor prognosis. Therefore, a tool for continuous monitoring on the cot side is necessary, for example, electroencephalogram (EEG) that non-invasively measures the electrical activity of the brain from the scalp. Then, multimodal brain imaging, when combined with functional near-infrared spectroscopy (fNIRS), can capture the neurovascular coupling (NVC) status. In this study, we first tested the feasibility of a low-cost EEG-fNIRS imaging system to differentiate between normal, hypoxic, and ictal states in a perinatal ovine hypoxia model. Here, the objective was to evaluate a portable cot side device and autoregressive (ARX) modelling to capture the perinatal ovine brain states during a simulated HIE injury. So, ARX parameters were tested with a linear classifier using a single differential channel EEG, with varying states of tissue oxygenation detected using fNIRS, to label simulated HIE states in a perinatal ovine hypoxia model. Then, we showed the technical feasibility of the low-cost EEG-fNIRS device and ARX modeling with support vector machine classification for a human HIE case series with and without sepsis. The classifier trained with the ovine hypoxia data labelled ten severe HIE human cases (with and without sepsis) as “hypoxia” group and the four moderate HIE human cases as the “control” group. Furthermore, we showed the feasibility of experimental modal analysis (EMA) based on the ARX model to investigate the NVC dynamics using EEG-fNIRS joint-imaging data that differentiated six severe HIE human cases without sepsis from four severe HIE human cases with sepsis. In conclusion, our study showed the technical feasibility of EEG-fNIRS imaging, ARX modeling of NVC for HIE classification, and EMA that may provide a biomarker to detect sepsis effects on the NVC in HIE.

The preparation of transition metal salt ammine complexes having oxidizing anions is a great challenge due to the reaction between the ammonia and oxidizing anions during the synthesis of these materials. However, they have an important role in the development of new oxidants in organic chemistry and especially as precursors in the preparation of mixed metal oxides and alloys in controlled temperature thermal decomposition reactions. Therefore, the synthetic procedures to prepare the complexes of transition metal permanganate, pertechnetate, and perrhenate (VIIB group tetraoxometallates) salts with ammonia as ligand or co-ligand have been comprehensively reviewed. The available data about the structure and spectroscopic properties of these compounds, including the hydrogen bonds that act as redox reaction centers under their thermal decomposition are given and evaluated. Their thermal decomposition processes and products have been summarized. The available pieces of information about their role in organic oxidation reactions like the oxidation of benzyl alcohols, and regeneration of oxo-compounds from oximes and phenylhydrazones including the kinetics of these processes have also been collected.

The military taxonomy of class indices for chemical and biological warfare agents considers halogenated tear agents (CS) to be incapacitating causing local pain and discomfort with associated reflexe. The removal yield of the organic substances present in the water depends on the environmental conditions, on the chemical composition of the water and on the chemical substance dissolved in the water, which constitutes the substrate of the metabolic activities of the microorganisms that use these substances in the biochemical reactions of the cellular enzyme complexes. The two -CN groups in the malonic nitrile molecule are strongly electron-attracting and activate the CH2 group to which they are linked, and because of this, malononitrile has the role of a methylene component in condensation reactions with aldehydes or ketones. The results obtained after analyzing the degree of hydrolysis in the samples that contained the biological suspension indicated that no CBM metabolites were detected in any biological sample, regardless of the test concentration, analyzed 24 h after incubation. In the parallel samples, the aqueous solutions of CBM without biological treatment had metabolites in the samples., at 30 minutes the degree of hydrolysis is 0.21%, at 60 minutes, the degree of hydrolysis is 5.42%, after 90 minutes, the degree of hydrolysis is 6.19%, and after 24 hours. the degree of hydrolysis is 23.41%. Chemical substances in contact with microorganisms are used by them in the biochemical processes in which they are involved, the retention time and biodegradation capacity have led to an increased effect of the metabolism of toxic substances, in metabolic reactions, organic substances are the source of carbon and energy for biochemical processes. The tests performed indicate that the suspension of Chlorella sp. consumed the entire amount of CBM and metabolites from the analyzed samples The tests prove that the biological material can be used for the decontamination of the affected areas.

This review focuses on developments that quantify grain quality with a range of spectral sensors in an on-farm setting. If the application of sensor technologies were expanded and adopted on-farm, growers could identify the impact and manage the harvesting operation to meet a range of quality targets and provide an economic advantage to the farming enterprise.

Diffuse optical tomography (DOT) is an optical medical imaging method that can assess the structural properties of tissues and their functional characteristics, such as hemoglobin concentration, water content, as well as lipid concentration, via three-dimensional image reconstruction. This paper presents the theoretical basis and working principle of diffuse optical tomography. The paper explains how the optical properties of tissue can be imaged by photon migration techniques based on diffusion theory. The author presents the reasoning for near-infrared (NIR) imaging as the most effective technique in terms of quantitative recovery of spectroscopic optical parameters. This work also listed various advantages, applications, and challenges of DOT. The paper also briefly discusses current progress in near-infrared medical imaging and its future direction.

This work presents the first evidence that dissolved globular proteins change the arrangement of hydrogen bonds in water, with different proteins showing quantitatively different effects. Using ATR-FTIR (Attenuated Total Reflection – Fourier Transform Infrared) spectroscopic analysis of OH-stretch bands, we obtain quantitative estimates of the relative amounts of the previously reported four subpopulations of water structures coexisting in a variety of aqueous solutions. Where solvatochromic dyes can measure the properties of solutions of non-ionic polymers, the results correlate well with ATR-FTIR measurements. In protein solutions to which solvatochromic dye probes cannot be applied, NMR (Nuclear Magnetic Resonance) spectroscopy was used for the first time to estimate the hydrogen bond donor acidity of water. We found strong correlations between the solvent acidity and arrangement of hydrogen bonds in aqueous solutions for several globular proteins. Even quite similar proteins are found to change water properties in dramatically different ways.

Zinc protection of galvanized steel is initially dissolved in alkaline solutions. However, passive layer is formed over time which protects the steel from corrosion. The behavior of galvanized steel exposed to strong alkaline solutions (pH values of 12.7) with a fixed concentration of sulfate ion of 0.04M is studied. Electrochemical measurement techniques such as corrosion potential, linear polarization resistance and electrochemical impedance spectroscopy are used. Synergistic effect of sulfate ion is also studied together with other anions such as chloride Cl- or bicarbonate ion HCO3- and with other cations such as calcium Ca2+, ammonium NH4+ and magnesium Mg2+. Presence of sulfate ions can depassivate the steel, leading to corrosion density of 0.3 µA/cm2 at the end of the test. The presence of other ions in the solution increases this effect. The increase in corrosion density caused by cations and anions responds to the following order (greater to lesser influence): NH4+&gt;Ca2+&gt;Mg2+ and HCO3- &gt;Cl- &gt;SO42-.

As one of the representatives of emerging metallic transition metal dichalcogenides, niobium ditelluride (NbTe₂) has attracted intensive interest recently due to its distorted lattice structure and unique physical properties. Here, we report on the ultrafast carrier dynamics in NbTe₂ measured using time-resolved pump-probe transient reflection spectroscopy. A thickness-dependent carrier relaxation time is observed, exhibiting a clear increase in the fast and slow carrier decay rates for thin NbTe₂ flakes. In addition, pump power dependent measurements indicate that the carrier relaxation rates are power-independent, with the peak amplitude of the transient reflectivity increasing linearly with pump power. Isotropic relaxation dynamics in NbTe₂ is also verified by performing polarization-resolved pump-probe measurements. These results provide an insight into the light-matter interactions and charge carrier dynamics in NbTe₂ and will pave the way for its applications to photonic and optoelectronic devices.

Polyphosphate (polyP) accumulating organisms (PAOs) are the key agent to perform enhanced biological phosphorus removal (EBPR) activity, and intracellular polyP plays a key role in this process. Potential associations between EBPR performance and the polyP structure have been suggested, but are yet to be extensively investigated, mainly due to the lack of established methods for polyP characterization in the EBPR system. In this study, we explored and demonstrated that single-cell Raman spectroscopy (SCRS) can be employed for characterizing intracellular polyPs of PAOs in complex environmental samples such as EBPR systems. The results, for the first time, revealed distinct distribution patterns of polyP length (as Raman peak position) in PAOs in lab-scale EBPR reactors that were dominated with different PAO types, as well as among different full-scale EBPR systems with varying configurations. Furthermore, SCRS revealed distinctive polyP composition/features among PAO phenotypic sub-groups, which are likely associated with phylogenetic and/or phenotypic diversity in EBPR communities, highlighting the possible resolving power of SCRS at the microdiversity level. To validate the observed polyP length variations via SCRS, we also performed and compared bulk polyP length characteristics in EBPR biomass using conventional polyacrylamide gel electrophoresis (PAGE) and solution ³¹P nuclear magnetic resonance (³¹P-NMR) methods. The results are consistent with the SCRS findings and confirmed the variations in the polyP lengths among different EBPR systems. Compared to conventional methods, SCRS exhibited advantages as compared to conventional methods, including the ability to characterize in situ the intracellular polyPs at subcellular resolution in a label-free and non-destructive way, and the capability to capture subtle and detailed biochemical fingerprints of cells for phenotypic classification. SCRS also has recognized limitations in comparison with ³¹P-NMR and PAGE, such as the inability to quantitatively detect the average polyP chain length and its distribution. The results provided initial evidence for the potential of SCRS-enabled polyP characterization as an alternative and complementary microbial community phenotyping method to facilitate the phenotype-function (performance) relationship deduction in EBPR systems.

The effect of Zr addition on the melting temperature of the CoCrFeMnNi High Entropy Alloy (HEA), known as the “Cantor’s Alloy”, is investigated, together with its microstructure, mechan-ical properties and thermo-mechanical recrystallization process. The base and Zr-modified al-loys are obtained by vacuum induction melting of mechanically pre-alloyed powders followed by recrystallization. The alloys were characterized by X-ray diffraction, scanning and transmis-sion electron microscopy, thermal analyses, mechanical spectroscopy and indentation measures. The main advantages of Zr addition are: 1) a fast vacuum induction melting (VIM) process; 2) the lower melting temperature, due to Zr eutectics formation with all the Cantor’s alloy elements; 3) the good chemical alloy homogeneity; 4) the mechanical properties improvement of recrystallized grains with a coherent structure. The crystallographic lattice of both alloys resulted to be FCC. Results demonstrate that the Zr-modified HEA presents a higher recrystallization temperature and smaller grain size after recrystallization with respect to the Cantor’s alloy, with precipita-tion of a coherent second phase which enhance the alloy hardness and strength, while maintaining a good tensile ductility.

Q-switched laser radiation at wavelengths of 355 nm, 532 nm, and 1064 nm from a Nd: YAG laser was used to generate plasma in laboratory air at the target surface made of compressed nano-silver particles of size 95 ± 10 nm. The emitted resonance spectra from the neutral silver at wavelengths of 327.9 nm and 338.2 nm indicate existence of self-reversal in addition to plasma self-absorption. Both lines were identified in emission spectra at different laser irradiation wavelengths with characteristic dips at the un-shifted central wavelengths. These dips are usually associated with self-reversal. Under similar conditions, plasmas at the corresponding bulk silver target were generated. The recorded emission spectra were compared to those obtained from the nano-material target. The comparisons confirm existence of self-reversal of resonance lines that emerge from plasmas produced at nano-material targets. This work suggests a method for recovery of the spectral line shapes and discusses practical examples. In addition, subsidiary calibration efforts that utilize the Balmer series Hα-line reveal that other Ag I lines at 827.35 nm and 768.7 nm are optically thin under variety of experimental conditions and are well-suited as reference lines for measurement of the laser plasma electron density.

We investigate molecular beam epitaxy growth conditions of micrometers-thick In0.52Al0.48As designed for waveguide of InGaAs/InAlAs/InP quantum cascade lasers. Effect of growth temperature and V/III ratio on the surface morphology and defect structure were studied. The growth conditions which were developed for the growth of cascaded In0.53Ga0.47As/In0.52Al0.48As active region, e.g. growth temperature of TG=520°C and V/III ratio of 12, turned out to be not optimum for the growth of thick In0.52Al0.48As waveguide layers. It has been observed that after exceeding ~1µm thickness the quality of In0.52Al0.48As layers deteriorates. The in-situ optical reflectometry showed increasing surface roughness caused by defect forming, which was further confirmed by High Resolution X-Ray reciprocal space mapping, optical microscopy and atomic force microscopy. The presented optimization of growth conditions of In0.52Al0.48As waveguide layer led to the growth of defect free material, with good optical quality. This has been achieved by decreasing the growth temperature to TG=480 °C with appropriate increasing V/III ratio. At the same time the growth conditions of the cascade active region of the laser were left unchanged. The lasers grown using new recipe have shown lower threshold currents and improved slope efficiency. We relate this performance improvement to reduction of the electron scattering on the interface roughness and decreased waveguide absorption losses.

Bioimpedance measurements are used increasingly in health applications because bioelectric parameters have been associated with anatomical and physiological properties, thus enabling to distinguish medical conditions. For bone fracture diagnostics, nevertheless, there is no established non-invasive method. Ex vivo studies and In vivo bioimpedance procedures, both invasive and non-invasive, on mammalians long bones are associated with promising results. In this work, out of a total of 568 papers, we reviewd 59 articles that mention long bone integrity by electric properties, be it Bioimpedance Analysis, Electrical Impedance Spectroscopy or Electrical Impedance Tomography. The papers are described in three sections, “Ex vivo measurements”, “In vivo invasive measurements” and “In vivo non-invasive measurements”. This review allows to establish the basics to planning the development of new technology to detect bone fracture via bioimpedance measurements.

Although the need to assess hydration is well recognized, laboratory tests and clinical impressions are impractical and lack sensitivity to be clinically meaningful. Different approaches use bioelectrical impedance measurements to overcome some of these limitations and aid in classification of hydration status. One indirect approach utilizes single or multiple frequency bioimpedance in regression equations and theoretical models, respectively, with anthropometric measurements to predict fluid volumes (bioelectrical impedance spectroscopy; BIS) and estimate fluid overload based on deviation of calculated to reference extracellular fluid volume. Alternatively, bioimpedance vector analysis (BIVA) uses direct phase-sensitive measurements of resistance and reactance, measured at 50 kHz, normalized for height, then plotted on a bivariate graph, resulting in a vector with length related to fluid content normalized by standing height, and direction with phase angle that indexes hydration status. Comparison with healthy population norms enables BIVA to classify (normal, under- and over-) and rank (change relative to pre-treatment) hydration independent of body weight. Each approach has wide-ranging uses in evaluation and management of clinical groups with overhydration with an evolving emphasis on prognosis. This review discusses the advantages and limitations of BIS and BIVA for hydration assessment with comments on future applications.

In this work, we have studied the propagation of ultrasonic waves of lysozyme solutions characterized by different degrees of aggregation and networking. The experimental investigation has been performed by means of the Transient Grating (TG) spectroscopy as a function of temperature; this technique enables to measure the ultrasonic acoustic proprieties over a wide time window, ranging from nanoseconds to milliseconds. The fitting of the measured TG signal allows the extraction of several dynamic properties, here we focused on the speed and the damping rate of sound. The temperature variation induces in the lysozyme solutions a series of processes: protein folding-unfolding, aggregation and sol-gel transition. Our TG investigation shows how these self-assembling phenomena modulate the sound propagation, affecting both the velocity and the damping rate of the ultrasonic waves. In particular, the damping of ultrasonic acoustic waves proves to be a dynamic property very sensitive to the protein conformational rearrangements and aggregation processes.

This work communicates results from optical emission spectroscopy following laser-induced optical breakdown at or near nanomaterial. Selected atomic lines of silver are evaluated for consistent determination of electron density. Comparisons are presented with Balmer series hydrogen results. Of particular interest are measurements free of self-absorption effects. For several silver lines, asymmetries are observed in the recorded line profiles. Electron densities of interest range from 0.5 to 3 × 10¹⁷ cm^-3, for 5 nanosecond Q-switched Nd:YAG radiation at wavelengths of 1064, 532, and 355 nm, and for selected silver emission lines including 328.0, 338.2, 768.7, and 827.3 nm, and the hydrogen alpha Balmer series line at 656.3 nm. Line asymmetries are presented for the 328.0 nm Ag I line that is measured following generation of the plasma due to multiple photon absorption. This work explores electron density variations for different irradiance levels, and reports spectral line asymmetry of resonance lines for different laser fluence levels.

This brief review highlights some current issues in Galactic stellar nucleosynthesis, and some recent laboratory studies by the Wisconsin atomic physics group that have direct application to stellar spectroscopy, in order to advance our understanding of the chemical evolution of our Galaxy. The relevant publication history of the lab studies are summarized, and investigations into the abundances of neutron-capture and iron-peak elements in low metallicity stars are described. Finally, new initatives in near-infrared spectroscopy are briefly explored.

A study is reported on the electrochemical alloying-dealloying properties of Mg₂Sn intermetallic compounds. ¹¹⁹Sn Mössbauer spectra of β-Sn powder, thermally alloyed cubic-Mg₂Sn and an intermediate MgSn nominal composition are used as references. The discharge of a Mg/micro-Sn half-cell led to significant changes in spectra line shape that are explained by a multiphase mechanism involving the coexistence of c-Mg₂Sn, distorted Mg_2-δSn and Mg-doped β-Sn. Capacities and capacity retention were improved by using nanoparticulate tin electrodes. This material reduces significantly the diffusion lengths for magnesium and contains surface SnO and SnO₂, which are partially electroactive. The half-cell potentials were suitable to be combined versus MgMn₂O₄ cathodes. Energy density and cycling properties of the resulting full Mg-ion cells are also scrutinized.

Urea cycle disorders (UCDs) are common inborn errors of metabolism, with an incidence of one in 30,000 births. They are caused by deficiencies in any of six enzymes and two carrier proteins, the most common being Ornithine Transcarbamylase Deficiency (OTCD). OTCD results in impairment to excrete nitrogen, causing toxic buildup of ammonia with resultant encephalopathy. Hyperammonemia (HA) induces the conversion of glutamate to glutamine in the brain. Excess glutamine in the brain causes osmotic changes cerebral edema, changes in astrocyte morphology, and cell death. Acute symptoms of HA include vomiting, hyperventilation, seizures, and irritability. Long-term neurological changes include deficits in working memory and executive function. To date, there are no predictors of prognosis of infants with neonatal onset OTCD outside of plasma ammonia level at presentation and duration of hyperammonemic coma. We provide a comprehensive analysis of a 16-year-old male with neonatal onset of OTCD as an example of how brain biomarkers may be useful to monitor disease course and outcome. This male presented at 8 days post natal with plasma ammonia and glutamine of 677 and 4024 micromol/L and had a missense mutation in Exon 4 (p.R129H). Treatment included protein restriction, sodium benzoate, and citrulline, arginine, and iron. He suffered recurrent acute hyperammonemic episodes despite compliance, triggered by infections or catabolic stressors. We discuss the long-term effects of the hyperammonemic episodes by following MRI based disease biomarkers.

Bacterial infections and resistance to antibiotic drugs represent the highest challenges to public health. The search for new and promising compounds with anti-bacterial activity is a very urgent matter. In order to promote the development of platforms enabling to the discovery of compounds with anti-bacterial activity, Fourier Transformed Mid-Infrared (FT-MIR) spectroscopy associated with the machine learning algorithms were used to predict the impact of compounds extracted from Cynara cardunculus against Escherichia coli cells. According to the plant tissue (seeds, dry and fresh leaves, and flowers) and the solvents (ethanol, methanol, acetone, ethyl acetate, and water), compounds with different compositions concerning, phenol content, antioxidant, and antimicrobial activity were obtained. Principal component analysis of spectra, allowed to discriminate compounds that inhibit the E. coli growth, according to the conventional assay. The supervised classification models enabled the prediction of the compound's impact on the E. coli growth, with the accuracy for the test data: Partial least squares-discriminant analysis of 94%; Support vector machines of 89%; k-Nearest neighbor of 72%; and a Backpropagation network of 100%. According to the promising results, the integration of FT-MIR spectroscopy with machine learning presents a high potential to promote the discovery of new compounds with antibacterial activity, thereby streamlining the drug exploratory process.

This study investigated the characteristics of radio-frequency middle-pressure argon plasma used in the atomic layer deposition (ALD) of Al2O3 films. Based on the electrical characteristics, that is current, voltage, and phase shift between them, and stability of plasma plume, the optimum plasma power, allowing reliable switching on the plasma for any step of an ALD cycle, was determined. Spectral measurements were performed to determine the gas temperature and reactive species that could be important in the ALD process. The density of metastable argon atoms was estimated using tunable laser absorption spectroscopy. It was concluded that plasma heating of substrates did not affect film growth and proposed that the crystallization-enhancing effect of plasma was due to the action of OH radicals, produced in the plasma.

The fine structure of Apricot pectin polysaccharides is discussed from both literature and recent work we have performed. Structural characterization utilized 1D and 2D homo- and hetero-nuclear NMR spectroscopy including results from High Performance Size Exclusion Chromatography (HP-SEC), HP Anion-Exchange Chromatography with Pulsed Amperometric Detection (HPAEC-PAD) and FTIR spectroscopy. The purified pectin fraction (F1AP) was found to be composed of D-galacturonic acid, L-rhamnose, D-arabinose and D-galactose in a 1.0 : 0.1 : 0.36 : 0.12 molar ratio, respectively, which is consistent with a pectin RG-1 branched with arabinogalactan side chain polysaccharides, and has a weight-average molecular weight of approximately 1588.2 kDa. The slope of the hydrodynamic radius versus the molar mass was 0.57, indicating the presence of coil conformations. The results from HPAEC-PAD, HPSEC and NMR spectroscopy (1H, 13C, zTOCSY, HSQC, HSQCTOXY and HMBC) demonstrated that F1AP fine fraction F1AP1, derived from original F1AP, has a backbone of (1→4)-linked -D-galacturonic acid and -L-rhamnopyranosyl residues branched with arabinogalactan of multiply glycosidic linkages of T- α-Araf, 3-α-Araf, 5-α-Araf, T- α -Arap, 2- α-Arap side chains, having methyl and acetylated groups, and has high molecular weights (1945 kDa). While the other F1A6 fraction consists predominately of an HG region of pectin polysaccharides with low molecular weights (117.5 kDa), less aggregated. The F1AP1 polysaccharide was highly viscous and its hydrodynamic radius was 64,3 nm. The exponent b of Rh-Mw (conformation plot) was determined to be 0.48, indicating a compact flexible coil conformation of the macromolecule in solution. However, the F1AP6 fraction of apricot fruits belong to backbone of repeats units of [-(1→4)-α-D-GalpA-1]n – both HG and partly contents RG-II polysaccharides, bearing heterosugar sidechains, including α-Ara, α -Rha and β-Gal residues and adopt more stiffness rod like conformation.

Particle acceleration, and the thermalisation of energetic particles, are fundamental processes across the universe. Whilst the Sun is an excellent object to study this phenomenon, since it is the most energetic particle accelerator in the Solar System, this phenomenon arises in many other astrophysical objects, such as active galactic nuclei, black holes, neutron stars, gamma ray bursts, solar and stellar coronae, accretion disks and planetary magnetospheres. Observations in the Extreme Ultraviolet (EUV) are essential for these studies but can only be made from space. Current spectrographs operating in the EUV use an entrance slit and cover the required field of view using a scanning mechanism. This results in a relatively slow image cadence on the order of minutes to capture inherently rapid and transient processes, and/or in the spectrograph slit `missing the action'. The application of image slicers for EUV integral field spectrographs is therefore revolutionary. The development of this technology will enable observations of EUV spectra from an entire 2D field of view in seconds, over two orders of magnitude faster than what is currently possible. The Spectral Imaging of the Solar Atmosphere (SISA) instrument is the first integral field spectrograph proposed for observations at 180A combining the image slicer technology and curved diffraction gratings in a highly efficient and compact layout, while providing important spectroscopic diagnostics for characterization of solar coronal and flare plasmas. SISA's characteristics, main challenges and the on-going activities to enable the image slicer technology for EUV applications are presented in this paper.

Antarctica and its surrounding environment are considered untouched and thought that it is free from microplastics (MPs) pollution. However, recent studies and science projects have reported MPs in both water and sediment in the South Polar Regions. The reports state that the MP’s pollution occurs in this region due to fishing, tourism, and research activities by the nearby countries and nature's circulation is also part of it. The Antarctic Treaty System (ATS) has received attention on MP’s pollution and initiated research on it. MPs are tiny plastic particles with a size of less than 5 mm. It has two types, 1. Primary MPs have been manufactured directly for various applications like cosmetics and scrubbing etc 2. The secondary MPs are generated by photochemical degradation of large plastics.Although several studies have been done there is a quite gap in our understanding of the concentration, characteristics, and impact of plastics on the ecosystem of the Antarctic Region. The impact of MP’s pollution in this region may be very high. The presence of MP is a serious issue that is affecting not only the aquatic environment but also humans. It is an alarming situation that causes environmental damage. The main objective of this paper is to review MP's introduction, occurrence, sources, harmful effects, and detection methods. This review highlighted the various methodologies and analyses like density separation, microscope observation of MP’s properties Fourier-transform infrared spectroscopy (FTIR), and Raman spectrometer respectively, and urged for more research in the future and gave several recommendations to maintain the pristine region near Antarctica.

Amorphous germanium films on non-refractory glass substrates were annealed by ultrashort near-infrared (1030 nm, 1.4 ps) and mid-infrared (1500 nm, 70 fs) laser pulses. Crystallization of germanium irradiated at a laser energy density (fluence) range from 25 to 400 mJ/cm2 under single-shot and multi-shot conditions was investigated using Raman spectroscopy. The dependence of the fraction of the crystalline phase on the fluence was obtained for picosecond and femtosecond laser annealings. The regimes of almost complete crystallization of germanium films over the entire thickness are obtained (from the analysis of Raman spectra with excitation of 785 nm laser). The possibility of scanning laser processing is shown, which can be used to create films of micro and nanocrystalline germanium on flexible substrates.

Laser-induced periodic surface structures (LIPSS) have gained significant attention due to their ability to modify the surface morphology of materials at the micro-nanoscale and show great promise for surface functionalization application. In this study, we specifically investigate the formation of LIPSS in silicon substrates and explore their impact on Surface-Enhanced Raman Spectroscopy (SERS) applications. This study reveals a stepwise progression of LIPSS formation in silicon, involving three distinct stages of LIPSS: 1) integrated Low-Spatial-Frequency LIPSS (LSFL) and High-Spatial-Frequency LIPSS (HSFL), 2) principally LSFL and 3) LSFL at the edge of the irradiated spot, elucidating the complex interplay between laser fluence, pulse number, and resulting surface morphology. Furthermore, from an application standpoint, these high-quality multi-scale periodic patterns lead to the next step of texturing the entire silicon surface with homogeneous LIPSS for SERS application. The potential of LIPSS-fabricated silicon substrates for enhancing SERS performance is investigated using thiophenol as a test molecule. The results indicate that the Au-coated combination of LSFL and HSFL substrate showcased the highest enhancement factor (EF) of 1.38 × 10^6. This pronounced enhancement is attributed to the synergistic effects of Localized Surface Plasmon Resonance (LSPR) and Surface Plasmon Polaritons (SPPs), intricately linked to HSFL and LSFL characteristics. These findings contribute to understanding LIPSS formation in silicon and their applications in surface functionalization and SERS, paving the way for sensing platforms.

Cyclic olefin copolymer (COC) is a novel type of thermoplastic polymer gaining the attention of the scientific community in electronic, optoelectronic, biomedicine and packaging applications. Despite the benefits in the use of COC like undoubted optical transparency, chemical stability, good water-vapor barrier and biocompatibility, its original hydrophobicity restricts its wider applicability and optimization of its performances. Presently, we report on the optical, and morphological properties of the films of COC covered with Ti in selected areas. The layer of Ti on COC was deposited by pulsed lased deposition processing. The Ti/COC film was characterized by UV-Vis spectroscopy indicating that its transmittance in the visible region decreased by about 20% with respect to the pristine polymer. The quality of the deposited Ti was assessed with the morphology by scanning electron (SEM) and atomic force microscopies (AFM). The modification of the wettability was observed by the sessile drop method indicating a reduction of the native hydrophilicity.

Using optical characterization, it is evident that the spin state of the spin crossover molecular complex [Fe{H2B(pz)2}2(bipy)] (pz = tris (pyrazol-1-1y)-borohydride, bipy = 2,2’-bipyridine) depends on the ferroelectric polarization of an adjacent thin film of the polymer ferroelectric polyvinylidene fluoride-hexafluoropropylene (PVDF-HFP). The UV-Vis spectroscopy reveals that room temperature switching of [Fe{H2B(pz)2}2(bipy)] molecules in bilayers of PVDF-HFP/[Fe{H2B(pz)2}2(bipy)] as a function of ferroelectric polar polarization. The electric polarity dependence of bilayers of PVDF-HFP/[Fe{H2B(pz)2}2(bipy)] shows a strong dependence on the thickness of the PVDF-HFP layer. The PVDF-HFP/[Fe{H2B(pz)2}2(bipy)] interface may affect polarization retention in the PVDF-HFP thin film limit.

Paleoclimate information is key to understanding the climate system and predicting future climate. Currently, stable isotope analysis of whole molecules in tree rings is among the most advanced paleoclimate tools. Still, it only enables reconstructions of one climate parameter at a time (univariate climate reconstruction), a fundamental limitation. Here, we investigated whether this limitation can be overcome by analysing isotope variability at the level of intramolecular carbon positions in tree-ring glucose. We found that drought governs isotope variability at glucose C-1 to C-3, whereas radiation governs isotope variability at glucose C-5 to C-6. These isotope-climate relationships are statistically and mechanistically robust. According to cross-validation analysis, they can be reconstructed with high accuracy and precision. Thus, intramolecular isotope analysis enables multivariate climate reconstructions (proof of concept).

Individual differences in the responsiveness of the brain to transcranial electrical stimulation (tES) is increasingly demonstrated in large variability in the tES effects. Anatomically detailed computational brain models have been developed to address this variability; however, static brain models are not ‘realistic’ in accounting for the dynamic state of the brain. Therefore, human-in-the-loop optimization is proposed in this perspective article based on an extensive systems analysis of the tES neurovascular effects. First, modal analysis was conducted using a physiologically detailed neurovascular model that found stable modes in the 0 Hz to 0.05 Hz range for the pathway for vessel response through the smooth muscle cells, measured with functional near-infrared spectroscopy (fNIRS). tES effects in the 0 Hz to 0.05 Hz range can also be measured with functional magnetic resonance imaging (fMRI)-tDCS data with a maximum TR=10sec. Therefore, we investigated an open-source fMRI-tDCS dataset that used a TR=3.36sec. We found that both the anodal tDCS condition and sham tDCS condition had similar Finite Impulse Response at the region of interest underlying the anode and a remote location, which indicated a global hemodynamic effect of sham tDCS beyond the intended transient sensations. Here, transient sensations can have arousal effects on the hemodynamics so we conducted a healthy case series for black box modeling of fNIRS-pupillometry of short-duration tDCS effects. The block exogeneity test rejected the claim that tDCS is not a 1-step Granger-cause of the fNIRS total hemoglobin changes (HbT) and pupil dilation changes (p<0.05). Also, grey-box modeling using fNIRS of the tDCS effects in chronic stroke showed HbT response to be significantly different (paired-sample t-test, p<0.05) between the ipsilesional and the contralesional hemisphere for primary motor cortex tDCS and cerebellar tDCS which was subserved by the smooth muscle cells. Here, our perspective is that various physiological pathways subserving tES effects can lead to state-trait variability that can be challenging for clinical translation. Therefore, we conducted a case study on human-in-the-loop optimization using our reduced dimension model and a stochastic, derivative-free Covariance Matrix Adaptation Evolution Strategy. Future studies need to investigate human-in-the-loop optimization of tES for reducing inter-subject and intra-subject variability in tES effects.

Resveratrol is a well-known natural polyphenol with a plethora of pharmacological activities. As a potent antioxidant, resveratrol is highly oxidizable, and readily reacts with reactive oxygen species (ROS). Such a reaction not only leads to a decrease in ROS levels in a biological environ-ment but may also generate a wide range of metabolites with altered bioactivities. Inspired by this notion, in the current study, our aim was to take a diversity-oriented chemical approach to study the chemical space of oxidized resveratrol metabolites. Chemical oxidation of resveratrol and a bioactivity-guided isolation strategy using xanthine oxidase (XO) and radical scavenging activities led to the isolation of a diverse group of compounds, including a chlorine-substituted compound (2), two iodine-substituted compounds (3 and 4), two viniferins (5 and 6), an eth-oxy-substituted compound (7) two ethoxy-substituted dimers (8 and 9). Compounds 4, 7, 8 and 9 are reported here for the first time. All compounds without ethoxy-substitution exerted stronger XO inhibition than their parent compound, resveratrol. By enzyme kinetic and in silico docking studies compounds 2, 3 and 4 were identified as potent competitive inhibitors of the enzyme while the viniferins acted as mixed-type inhibitors. Further, compounds 2 and 9 had better DPPH scavenging activity and oxygen radical absorbing capacity than resveratrol. Our results suggest that the antioxidant activity of resveratrol is modulated by the effect of a cascade of chemically stable oxidized metabolites, several of which have significantly altered target specificity as compared to their parent compound.

In this review, photoinduced electron transfer processes in specifically designed assembled ar-chitectures have been investigated on the basis of recent results reported from our laboratories. A convenient and useful way to study these kinds of systems has been described in order to under-stand the rules that drive to a light induced charge separation and its subsequent decay to the ground state, also with the aim of offering a tutorial for young researchers. Assembled systems of covalent or supramolecular nature have been presented and some functional multicomponent systems for the conversion of light energy into chemical energy have been discussed.

Urban air quality is increasingly being studied as a fraction of the world's population is now living in megacities. In this study, particulate matter (PM) along Taft Avenue, Manila, Philippines, is investigated in terms of its ability to induce genetic damage on human peripheral blood lymphocytes (PBL). Size-segregated roadside air samples were obtained from 2015-2016 near the university gate and analyzed using in vitro micronucleus and cytokinesis-block proliferation tests. While cellular proliferation was unaffected by 0 – 0.1 kg·m-3 of PM1.0 and PM2.5, PBL cells treated with PM2.5 displayed significantly higher micronucleus count (p = 0.03) compared to the cells treated with PM1.0. Atomic Absorption Spectroscopy revealed greater amounts of Cd, Ca, Pb, K, Na, and Zn in PM2.5 compared to PM1.0. The results indicate the differences in composition of the two size fractions of air particulates are associated with their genotoxicities.

A novel approach to the remote-control system for the compact multi-crystal energy-dispersive spectrometer for x-ray emission spectroscopy (XES) applications has been developed. This new approach is based on asynchronous communication between software components and on reactive design principles. In this paper, we identify the challenges we have faced, our solution to them as well as the implementation and future development prospects. The main motivation of this work was the development of a new holistic communication protocol that can be implemented to control various hardware components.

In this contribution, we present a high-speed multiplex grating spectrometer based on a spectral coding approach that is founded on principles of compressive sensing. The spectrometer employs a single-pixel InGaAs detector to measure the signals encoded by an amplitude spatial light modulator (digital micromirror device, DMD). This approach leads to a speed advantage and multiplex sensitivity advantage atypical for standard dispersive systems. Exploiting the 18.2 kHz pattern rate of the DMD, we demonstrate 4.2 ms acquisition times for full spectra with a bandwidth of 450 nm (5250 cm-1 – 4300 cm-1; 1.9 µm – 2.33 µm). Due to the programmability of the DMD, spectral regions of interest can be chosen freely, thus reducing acquisition times further, down to the sub-millisecond regime. The adjustable resolving power of the system accessed by means of computer simulations is discussed, quantified for different measurement modes, and verified by comparison with a state-of-the-art Fourier-transform infrared spectrometer. We show measurements of characteristic polymer absorption bands in different operation regimes of the spectrometer. The theoretical multiplex advantage of 8 was experimentally verified by comparison of the noise behavior of the spectral coding approach and a standard line-scan approach.

Extra virgin olive oil (EVOO) is the highest quality of olive oil and is characterized by highly beneficial nutritional properties. The large increase in both consumption and fraud, for example through adulteration, creates new challenges and an increasing demand for developing new quality assessment methodologies that are easier and cheaper to perform. As of today, the determination of olive oil quality is performed by producers through chemical analysis and organoleptic evaluation. The chemical analysis requires the advanced equipment and chemical knowledge of certified laboratories, and has therefore a limited accessibility. In this work a minimalist, portable and low-cost sensor is presented, which can perform olive oil quality assessment using fluorescence spectroscopy. The potential of the proposed technology is explored by analyzing several olive oils of different quality levels, EVOO, virgin olive oil (VOO), and lampante olive oil (LOO). The spectral data were analyzed using a large number of machine learning methods, including artificial neural networks. The analysis performed in this work demonstrates the possibility of performing classification of olive oil in the three mentioned classes with an accuracy of 100%. These results confirm that this minimalist low-cost sensor has the potential of substituting expensive and complex chemical analysis.

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.

Chymotrypsin is an important proteolytic enzyme in human digestion system that cleaves milk proteins, through hydrolysis reaction, which makes it interesting subject to study activity of milk proteases. In this work, we compared detection of chymotrypsin by spectrophotometric, dynamic light scattering (DLS) and quartz crystal microbalance (QCM) methods and determined the limit of chymotrypsin detection (LOD), 0.15 ± 0.01 nM for spectrophotometric, 0.67 ± 0.05 nM for DLS and 1.40 ± 0.30 nM for QCM methods, respectively. We discuss peculiarities and give perspective for implementation of detection methods and note that while the optical detection methods are simple to implement, the QCM method is more robust for sample preparation. We give an overview on methods and instruments for detection of chymotrypsin and other milk proteases.

New pharmaceutically acceptable salts of trazodone for the treatment of central nervous system disorders are synthesized and described. Each salt (trazodone hydrogen bromide and trazodone 1-hydroxy-2-naphthoate) was obtained by two or three different methods leading to the same crystalline form. Although trazodone salts are poorly crystalline, single-crystal X-ray diffraction data for trazodone 1-hydroxy-2-naphthoate were collected and analyzed as well as compared to the previously described crystal structure of commercially available trazodone hydrochloride. The powder samples of all new salts were characterized by Fourier transform infrared spectroscopy and 13C solid-state nuclear magnetic resonance spectroscopy. Spectroscopic studies were supported by gauge including projector augmented wave (GIPAW) calculations of carbon chemical shielding constants. The main goal of our research was to find salts with better physicochemical properties and to make an attempt to associate them with both the anion structure and the most prominent interactions exhibited by the protonated trazodone cation. The dissolution profiles of trazodone from tablets prepared from various salts with lactose monohydrate were investigated. The studies revealed that salts with simple anions show a fast release of the drug while the presence of more complex anion, more strongly interacting with the cation, effects a slow-release profile of the active substance and can be used for the preparation of the tables with a delay or prolonged mode of action.

Room-temperature phosphorescent (RTP) materials have been attracted tremendous interest owing to their unique material characteristics and potential applications for state-of-the-art optoelectronic devices. Recently, we have reported a synthesis and fundamental photophysical properties of new RTP materials based on benzil, i.e., fluorinated monobenzil derivative and fluorinated and non-fluorinated bisbenzil derivative analogues [Yamada, S. et al, Beilstein J. Org. Chem. 2020, 16, 1154–1162.]. To further understand their RTP properties, here we investigated the excited-state dynamics and photostability of the derivatives by means of time-resolved and steady-state photoluminescence spectroscopies. For these derivatives, clear RTP emissions with lifetimes on the microsecond timescale were identified. Among them, the monobenzil derivative was found to be the most efficient RTP material, showing both the longest lifetime and highest amplitude RTP emission. Time-resolved photoluminescence spectra measured at 77 K and density functional theory calculations revealed the existence of a second excited triplet state in the vicinity of the first excited singlet state for the monobenzil derivative, indicative of the presence of a fast intersystem crossing pathway. A discussion of the correlation between the excited state dynamics, emission properties, and conformational flexibility of the three derivatives is presented.

Optical biopsy describes a range of medical procedures in which light is used to investigate disease in the body, often in hard-to-reach regions via optical fibres. Optical biopsies can reveal a multitude of diagnostic information to aid therapeutic diagnosis and treatment with higher specificity and shorter delay than traditional surgical techniques. One specific type of optical biopsy relies on Raman spectroscopy to differentiate tissue types at the molecular level and has been used successfully to stage cancer. However, complex micro-optical systems are usually needed at the distal-end to optimise the signal-to-noise properties of the Raman signal collected. Manufacturing these devices remains a critical challenge, particularly in a way suitable for large scale adoption. In this paper, we describe a novel fibre-fed micro-optic system designed for efficient signal delivery and collection during a Raman spectroscopy based optical biopsy. Crucially, we fabricate the device using a direct-laser-writing technique known as ultrafast laser assisted etching which is scalable and allows components to be aligned passively. The Raman probe has a sub-millimetre diameter and offers confocal signal collection with 71.3 ± 1.5% collection efficiency over a 0.8 numerical aperture. Proof of concept spectral measurements were performed on mouse intestinal tissue and compared with results obtained using a commercial Raman microscope.

The interfacial polymerization (IP) of piperazine (PIP) and trimesoyl chloride (TMC) has been extensively utilized to synthesize nanofiltration (NF) membranes. However, it is still a huge challenge to monitor the IP reaction, because of the fast reaction rate and the formed ultra-thin film. Herein, two effective strategies were applied to reduce the IP reaction rate: (1) the introduction of hydrophilic interlayers between the porous substrate and the formed polyamide layer, and (2) the addition of macromolecular additives in the aqueous solution of PIP. As a result, in situ Fourier transform infrared (FT-IR) spectroscopy was firstly used to monitor the IP reaction of PIP/TMC with hydrophilic interlayers or macromolecular additives in the aqueous solution of PIP. Moreover, the formed polyamide layer growth on the substrate was studied in a real-time manner. The in situ FTIR experimental results confirmed that the IP reaction rates were effectively suppressed and that the formed polyamide thickness was reduced from 138 ± 24 nm to 46 ± 2 nm according to TEM observation. Furthermore, an optimized NF membrane with excellent performance was consequently obtained, which included boosted water permeation of about 141–238 (L/m²·h·MPa) and superior salt rejection of Na₂SO₄ > 98.4%.

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

A focal plane array (FPA) detector was used for hyperspectral imaging in the infrared (IR) spectral region using thermal and synchrotron light sources. FPA Fourier-transform IR (FTIR) imaging microspectroscopy will be able to monitor real time changes at specific absorption bands when combined with high brightness synchrotron source. In this study, several types of samples with unique structural motifs were selected and used for assessing the capability of the FPA-FTIR imaging technique. It was shown that the time required for polariscopy at IR wavelengths can be substantially reduced by the FPA-FTIR imaging approach. By using natural and laser fabricated polymers with sub-wavelength features, alignment of absorbing molecular dipoles was revealed as well as higher order patterns (laser fabricated structures). Micro-spectroscopy of absorber orientation reveals alignment patterns even when they are not spatially resolved.

Printed electronic devices are attracting significant interest due to their versatility and low cost; however, quality control during manufacturing is a significant challenge, preventing the widespread adoption of this promising technology. We show that terahertz (THz) radiation can be used for the in situ inspection of printed electronic devices, as confirmed through a comparison with conventional electrical conductivity methods. Our in situ method consists of printing a simple test pattern exhibiting a distinct signature in the THz range that enables the precise characterization of {the static} electrical conductivities of the printed ink. We demonstrate that contactless dual-wavelength THz spectroscopy analysis, which requires only a single THz measurement, is more precise and repeatable than the conventional four-point probe conductivity measurement method. Our results open the door to a simple strategy for performing contactless quality control in real time of printed electronic devices at any stage of its production line.

Photoacoustic spectroscopy allows the identification of specific molecules in gases. We evaluate the spectral resolution and detection limits for a PAS system in the broadband infrared wavelength region 3270 nm ≲ λ ≲ 3530 nm driven by a continuous wave optical parametric oscillator with P ≈ 1.26 W by measuring the absorption of diluted propane, ethane and methane test gases at low concentrations c ~ 100 ppm for ~1350 discrete wavelengths λ_i. The resulting spectra I_PAS(λ_i) were compared to the high resolution cross section data σ_FTIR obtained by Fourier Transform Infrared Spectroscopy from the HITRAN database. Deviations as little as 7.1(6)% for propane, 8.7(11)% for ethane and 15.0(14)% for methane with regard to the average uncertainty between I_PAS(λ_i) and the expected reference values based on σ_FTIR were recorded. The wavelengths λ_res of the characteristic absorption lines can be pinpointed with a high relative accuracy <5 × 10⁻⁵ corresponding to a resolution of λ_res ~ 0.16 nm. Detection limits range between 7.1 ppb (ethane) to 13.6 ppb (methane) coinciding with high experimental signal-to-noise ratios. Moreover, using EUREQA, an artificial intelligence program, simulated mixed gas samples at low limits of detection could be deconvoluted. These results justify a further development of PAS technology to support, e.g., biomedical research.

The development of efficient luminescent systems, such as microcavities, solid state lasers, integrated optical amplifiers, optical sensors is the main topic in glass photonics. The building blocks of these systems are glass-ceramics activated by rare earth ions because they exhibit specific morphologic, structural and spectroscopic properties. Among various materials that could be used as nanocrystals to be imbedded in silica matrix, tin dioxide presents some interesting peculiarities, e.g. the presence of tin dioxide nanocrystals allows increase in both solubility and emission of rare earth ions. Here, we focus our attention on Er³⁺ - doped silica – tin dioxide photonic glass-ceramics fabricated by sol-gel route. Although the SiO₂-SnO₂:Er³⁺ could be fabricated in different geometrical systems: thin films, monoliths and planar waveguides we herein limit ourselves to the monoliths. The effective role of tin dioxide as luminescence sensitizer for Er³⁺ ions is confirmed by spectroscopic measurements and detailed fabrication protocols are discussed.

For a given set of plasma parameters, along a single series (Lyman, Balmer etc) the lines with higher principal quantum number(n) lines get progressively wider, closer to each other, and start merging for a certain critical n. In the present work four different codes(with further options) are used to calculate the entire Balmer series for moderate and high electron densities. Particular attention is paid to the relevant physics, such as the cutoff criteria, strong and penetrating electron collisions.

Background: Lithium di-silicate dental ceramics bonding, realized by using different resins, is strictly dependent on micro-mechanical retention and chemical adhesion. The aim of this in vitro study was to investigate the capability of a 1070 nm fiber laser for their surface treatment. Methods: Samples were irradiated by a pulsed fiber laser at 1070 nm with different parameters (Peak Power from 5 kW to 5 kW, RR 20 kHz, speed from 10 to 50 mm/s, total Energy Density from 1.3 to 27 kW/cm²) and the thermal elevation during the experiment was recorded by a Fiber Bragg Grating (FBG) temperature sensor. Subsequently, the surface modifications were analysed by optical microscope, Scanning Electron Microscope (SEM) and Energy Dispersive X-ray Spectroscopy (EDS). Results: With a Peak Power of 5 kW, RR of 20 kHz and speed of 50 mm/s, the microscopic observation of the irradiated surface showed increased roughness with small areas of melting and carbonization. EDS analysis revealed that, with these parameters, there are no evident differences between laser-processed samples and controls. Thermal elevation during laser irradiation ranged between 5 °C and 9 °C. Conclusions: 1070 nm fiber laser can be considered as a good device to increase the adhesion of Lithium di-silicate ceramics.

Food pathogens contaminate food products that allow their growth on the shelf and also under refrigerated conditions. Therefore, it is of utmost importance to lower the limit of detection (LOD) of the method used and to obtain the results within hours to few days. Biosensor methods exploit the available technologies to individuate and provide an approximate quantification of the bacteria present in a sample. The main bottleneck of these methods depend on the aspecific binding to the surfaces and on a change in sensitivity when bacteria are in a complex food matrix in respect to bacteria in a liquid food sample. In this review we introduce Surface Plasmon Resonance (SPR), new advancements in SPR techniques, and Electrochemical Impedance Spectroscopy (EIS), as label-free biosensing technologies for the detection of L. monocytogenes in foods. The application of the two methods has made possible the detection of L. monocytogenes with LOD of 1 log CFU/mL. Further advancement are envisaged through the combination of biosensor methods with immunoseparation of bacteria from larger volumes.

This paper presents the design and implementation of a multichannel bio-impedance spectroscopy system on field programmable gate arrays (FPGA). The proposed system is capable of acquiring multiple signals from multiple bio-impedance sensors, process the data on the FPGA and store the final data in the on-board Memory. The system employs the Digital Automatic Balance Bridge (DABB) method to acquire data from biosensors. The DABB measures initial data of a known impedance to extrapolate the value of the impedance for the device under test. This method offers a simpler design because the balancing of the circuit is done digitally in the FPGA rather than using an external circuit. Calculations of the impedance values for the device under test were done in the processor. The final data is sent to an onboard Flash Memory to be stored for later access. The control unit handles the interfacing and the scheduling between these different modules (Processor, Flash Memory) as well as interfacing to multiple Balance Bridge and multiple biosensors. The system has been simulated successfully and has comparable performance to other FPGA based solutions. The system has a robust design that is capable of handling and interfacing input from multiple biosensors. Data processing and storage is also performed with minimal resources on the FPGA.

The extent of micro-phase separation in polyurethanes (PUs) depended on the molecular weight, the chemical nature and the structure of the polyol/soft segments. Balanced properties in PUs were obtained by using blends of polyols during synthesis. No previous studies have been devoted to understand the interactions between the soft segments that affect the properties of the PUs. In this study, different blends of two polyols of different nature (polyester – PE - and polycarbonate diol - CD) and similar molecular weight were prepared and their structural, thermal, surface, viscoelastic and self-adhesion properties were assessed. PE showed larger number of structural repeating units and higher number of polar groups than CD, but the carbonate-carbonate interactions in CD were stronger than the ester-ester interactions in PE. The blending of CD and PE imparted synergic structural properties, particularly in the ones containing less than 50 % PE, they were associated to the disrupt of carbonate-carbonate interactions in CD and the formation of new ester-carbonate and hydroxyl-carbonate interactions. Therefore, higher glass transition temperatures, a new diffraction peak at 2θ = 24°, one additional thermal degradation at 426-436 °C, and less steeper decline of the storage moduli to lower temperature were found in CD+PE blends with less than 50 wt.% PE. Furthermore, the different interactions between the polyol chains in the blends were also evidenced on their surface properties, and all CD+PE blends showed self-adhesion property which seemed related to the existence of ester-carbonate and carbonate-carbonate interactions.

Addressing within field spatial variability for nitrogen management to avoid over and under-use of nitrogen is crucial for optimizing crop productivity and ensuring environmental sustainability. In this study we investigated the economic, environmental and agronomic benefits of variable rate nitrogen application in potato (Solanum tuberosum). An online visible and near infrared (vis-NIR) spectroscopy sensor we utilized to predict soil moisture content (MC), pH, total organic carbon (TOC), extractable phosphorus (P), potassium (K), magnesium (Mg), and cation exchange capacity (CEC) using a partial least squares regression (PLSR) models. The crop's normalized difference vegetation Index (NDVI) from Sentinel-2 satellite images was incorporated to online measured soil data to derive fertility management zones (MZs) maps, after homogenous raster and clustering analyses. The MZs maps were categorized into high fertile (VR-H), medium-high fertile (VR-MH), medium-low fertile (VR-ML), and low fertile (VR-L) zones. A parallel strip experiment compared variable rate nitrogen (VR-N) with uniform rate (UR) treatments, adjusting nitrogen levels based on fertility zones as: 50% less for VR-H, 25% less for VR-MH, 25% more for VR-ML, and 50% more for VR-L zones compared to the UR treatment. Results showed that the VR-H zone received a 50% reduction in N fertilizer input and demonstrated a significantly higher crop yield compared to the UR treatment. This implies a potential reduction in negative environmental impact by lowering fertilizer costs while maintaining robust crop yields. In total, the VR -N treatment received an additional 1.2 Kg/ha of nitrogen input, resulting in a crop yield increase of 1.89 tons/ha. The relative gross margin for the VR-N treatment compared to the UR treatment 374.83 €/ha, indicating substantial profitability for the farmer. To further optimize environmental benefits and profitability, additional research is needed to explore site-specific application of all farm resources through precision agricultural technologies.

Parkinson’s Disease (PD) is a debilitating neurodegenerative disease, causing loss of motor function, and in some instances, cognitive decline and dementia, in those affected. The quality of life can be improved, and disease progression delayed through early interventions, however, current methods of confirming a PD diagnosis are extremely invasive. This prevents their use as a screening tool for the early onset stages of PD. We propose a surface imprinted polymer (SIP) electroimpedance spectroscopy (EIS) biosensor for detecting α-Synuclein (αSyn) and its aggregates, a biomarker that appears in saliva and blood during the early stages of PD as the blood brain barrier degrades. The surface imprinted polymer stamp is fabricated by low temperature melt stamping polycaprolactone (PCL) on interdigitated EIS electrodes. The result is a low-cost, small footprint biosensor that is highly suitable for non-invasive monitoring of the disease biomarker. The sensors were tested with αSyn dilutions in deionized water, and in constant ionic concentration matrix solutions with decreasing concentrations of αSyn to remove the background effects of concentration. The device response confirmed the specificity of these devices to the target protein of monomeric αSyn. The sensor limit of detection was measured to be 5 pg/L and its linear detection range was 5 pg/L – 5 µg/L. This covers the physiological range of αSyn in saliva and makes this a highly promising method of quantifying αSyn monomers for PD patients in the future. The SIP surface was regenerated, and the sensor reused to demonstrate its capability for repeat sensing as a potential continuous monitoring tool for the disease biomarker.

Natural dyes offer a bio-based opportunity to support attractive coloration to textile fabrics made from natural fibers like cotton, wool, hemp and many other materials. They can be part of a strategy to realize fully bio-based textile materials and clothing. Following this statement, the actual study investigates the use of wood extracts for dyeing of cotton fabrics. Actually extract powders of Logwood (Haematoxylon campechianum L.), Brazilwood (Caesalpinia spp.), and Quebracho wood (Schinopsis lorentzii) are used. The dyeing process is modified using different mordants based on iron and aluminum salts. These mordants are applied in pre-, meta- or post-mordant procedures. Color and fastness properties of prepared textile samples are determined by spectroscopic measurements, color measurements, washing procedures and Xenotest for measuring the light fastness. Finally, a broad range of different colorations can be realized by different combinations of wood extracts and mordanting procedures. A good wash fastness is reached for some color shades. For reaching good wash fastness, pre- and meta-mordanting procedures are more advantageous compared to post-mordanting. However, the light fastness of realized samples is only moderate to low. In conclusion, it can be stated that dyes from wood extracts are excellent materials to dye natural fibers if they are combined with the right mordanting agent in pre- or meta-mordanting procedures. The actual study is therefore a good proof-of-concept for the realization of fully bio-based colored textile materials.

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.

The silane (3-Aminopropyl)triethoxysilane (APTES), possesses one terminal amine group and three ethoxy groups extending from each silicon atom, serving as a crucial interface adherent between organic and inorganic materials. In corrosion prevention, APTES is frequently employed as a primer, with subsequent topcoat as an extra protective layer. This topcoat is particularly useful in covering sites where APTES may exhibit poor bonding, such as those involving Cu or Cu-rich alloying elements. In our study, we applied a thin layer of APTES to cleaned AA2024-T3 samples using concentrated vapor deposition, followed by spin-coating with a diluted PS/acetone solution. Through combinatorial experimentation, we investigated the impact of APTES on the corrosion resistance of the coating system on AA2024-T3. Our findings indicate that a higher surface energy of the APTES primer contributes to better corrosion resistance in the overall coating system. This improvement can be attributed to enhanced wettability achieved by the PS/acetone solution on the cured APTES primer, leading to a more uniform coverage of the dried PS topcoat. Additionally, our research revealed that, in the early stages of exposure to the corrosion solution, a thinner APTES primer enhances protection against corrosion. This effect is attributed to hydrolytic stability mechanisms, and the interactions between hydrolyzation/condensation in soaked APTES and the dissolution of naturally formed aluminum oxide pre-existing in the bare samples. Finally, we observed that an APTES primer subjected to additional heat treatment before topcoating exhibits superior performance in corrosion resistance.

In the last ten years, plasma waste treatment has gained increasing prominence as a technology in response to growing challenges in waste disposal and the recognition of opportunities for generating valuable by-products. The efficiency and outcomes of this process are intricately linked to the characteristics of the plasma involved, such as plasma enthalpy and heat flux. We employed an experimental radio frequency inductively coupled plasma (RF-ICP) torch operating at atmospheric pressure to generate plasma. Utilizing optical emission spectroscopy (OES), we measured plasma parameters, specifically the effective electron temperature (Teff) and plasma density (ne), while varying argon gas flow rates and RF powers. Our investigations revealed that both flow rate and RF power exert significant control over plasma parameters, and we observed an unusual phenomenon within this range of discharge pressures. Consequently, both the plasma's enthalpy and the heat flux it generates are influenced by variations in both flow rate and RF power.