Spectroscopic Examination Research Articles

Physicochemical Properties of Seed Oil Blends and Their Potential for the Creation of Synthetic Oleosomes with Modulated Polarities.

There is an increasing demand within the pharmaceutical and cosmetic industries for biofriendly lipid-based active ingredient delivery systems. Micelles, liposomes, and lipid nanoparticles are currently the most used systems despite their limitations. Oleosomes, also known as lipid droplets, are promising alternatives to the existing strategies. Oleosomes are typically found in plant cells and are characterized by a nonpolar triacylglycerol core surrounded by a phospholipid monolayer punctuated with the protein oleosin. Producing oleosomes synthetically allows the customization of their lipid content, size, protein content, and oil core characteristics, expanding their versatility. Herein we demonstrate a proof of concept for the use of synthetic oleosomes to sequester polar molecules by modulating their core polarity with blends of sunflower and castor oils. The physical properties (density, refractive index, and permittivity) of the oil blends are characterized and demonstrate ideal mixing of the oils, which is supported by molecular dynamics simulations. Spectroscopic examination of the oil blends using fluorescent probes shows that the polarity of oil blends increases as the fraction of castor oil increases. Finally, we show that the uptake of a polar fluorescent probe (NBD-glucose) into synthetic oleosomes is enhanced by increasing the polarity of the oil core, but large charged molecules are excluded from the core regardless of polarity. These experiments show that synthetic oleosomes with tunable oil cores can expand the range of molecules that can be loaded into a biofriendly package as desired for biotechnology applications.

Unravelling structural insights into ligand-induced photoluminescence mechanisms of sulfur dots.

Sulfur dots (S-QDs) hold promise as a new category of metal-free, luminescent nanomaterials, yet their practical application faces challenges primarily due to a limited understanding of their structure and its impact on their optical properties. Herein, by employing a spectrum of aliphatic and aromatic ligands, we identify the surface structure and composition of S-QDs while delineating the pivotal role of ligands in inducing photoluminescence. Thiol-functionalized ligands, such as 4-mercapto benzoic acid and glutathione, notably promote the formation of both green and blue luminescent S-QDs, boosting a high quantum yield of up to 56%. Further investigation on the synthesis of S-QDs with 4-mercapto benzoic acid unveils the dual role of H2O2: etching sulfur powder and oxidizing the -SH group to -SO2H. These oxidized ligands passivate the S-QD surface through hydrogen bonding. Electrospray ionization mass spectrometry analysis unveils the presence of distinct sulfur species such as [S4(C6H5SO2H)4(H2O)2H]+ and [S6(C6H5SO2H)6(H2O)3H]+, while XPS analysis confirms the existence of zerovalent sulfur and oxidized sulfur species including SO32- and SO42-. Further detailed spectroscopic examination demonstrates that S-QDs predominantly exist as aggregated entities, with the emission wavelength correlating with the degree of aggregation. The absence of photoluminescence in aggregations devoid of ligands underscores the critical role of ligands in the photoluminescence genesis of S-QDs.

Female-age-dependent changes in the lipid fingerprint of the mammalian oocytes.

Can oocyte functionality be assessed by observing changes in their intracytoplasmic lipid droplets (LDs) profiles? Lipid profile changes can reliably be detected in human oocytes; lipid changes are linked with maternal age and impaired developmental competence in a mouse model. In all cellular components, lipid damage is the earliest manifestation of oxidative stress (OS), which leads to a cascade of negative consequences for organelles and DNA. Lipid damage is marked by the accumulation of LDs. We hypothesized that impaired oocyte functionality resulting from aging and associated OS could be assessed by changes in LDs profile, hereafter called lipid fingerprint (LF). To investigate if it is possible to detect differences in oocyte LF, we subjected human GV-stage oocytes to spectroscopic examinations. For this, a total of 48 oocytes derived from 26 young healthy women (under 33 years of age) with no history of infertility, enrolled in an oocyte donation program, were analyzed. Furthermore, 30 GV human oocytes from 12 women were analyzed by transmission electron microscopy (TEM). To evaluate the effect of oocytes' lipid profile changes on embryo development, a total of 52 C57BL/6 wild-type mice and 125 Gnpat+/- mice were also used. Human oocytes were assessed by label-free cell imaging via coherent anti-Stokes Raman spectroscopy (CARS). Further confirmation of LF changes was conducted using spontaneous Raman followed by Fourier transform infrared (FTIR) spectroscopies and TEM. Additionally, to evaluate whether LF changes are associated with developmental competence, mouse oocytes and blastocysts were evaluated using TEM and the lipid dyes BODIPY and Nile Red. Mouse embryonic exosomes were evaluated using flow cytometry, FTIR and FT-Raman spectroscopies. Here we demonstrated progressive changes in the LF of oocytes associated with the woman's age consisting of increased LDs size, area, and number. LF variations in oocytes were detectable also within individual donors. This finding makes LF assessment a promising tool to grade oocytes of the same patient, based on their quality. We next demonstrated age-associated changes in oocytes reflected by lipid peroxidation and composition changes; the accumulation of carotenoids; and alterations of structural properties of lipid bilayers. Finally, using a mouse model, we showed that LF changes in oocytes are negatively associated with the secretion of embryonic exosomes prior to implantation. Deficient exosome secretion disrupts communication between the embryo and the uterus and thus may explain recurrent implantation failures in advanced-age patients. Due to differences in lipid content between different species' oocytes, the developmental impact of lipid oxidation and consequent LF changes may differ across mammalian oocytes. Our findings open the possibility to develop an innovative tool for oocyte assessment and highlight likely functional connections between oocyte LDs and embryonic exosome secretion. By recognizing the role of oocyte LF in shaping the embryo's ability to implant, our original work points to future directions of research relevant to developmental biology and reproductive medicine. This research was funded by National Science Centre of Poland, Grants: 2021/41/B/NZ3/03507 and 2019/35/B/NZ4/03547 (to G.E.P.); 2022/44/C/NZ4/00076 (to M.F.H.) and 2019/35/N/NZ3/03213 (to Ł.G.). M.F.H. is a National Agency for Academic Exchange (NAWA) fellow (GA ULM/2019/1/00097/U/00001). K.F. is a Diamond Grant fellow (Ministry of Education and Science GA 0175/DIA/2019/28). The open-access publication of this article was funded by the Priority Research Area BioS under the program "Excellence Initiative - Research University" at the Jagiellonian University in Krakow. The authors declare no competing interest. N/A.

Spectroscopic study of wemple-didomenico empirical formula and taucs model to determine the optical band gap of dye-doped polymer based on chitosan: Common poppy dye as a novel approach to reduce the optical band gap of biopolymer

This study investigates the effect of a natural dye extracted from common poppy (Papaver rhoeas) waste flowers on the optical properties of chitosan (CS) films. The extraction of natural dyes from waste flowers can be considered a new field for research in green chemistry. CS films are flexible and biodegradable but have low optical activity and band gap, limiting their applications in optical devices. The doped CS polymer with different concentrations of Papaver rhoeas dye exhibited enhanced optical properties. Also, 30 % glycerol was added as a plasticizer to omit film brittleness. The FTIR examinations is helpful to propose a mechanism that explains the interaction of the dye with the host polymer. The UV–vis spectroscopic examination establish that the optical characteristics of the films can be modified by adjusting the dye concentration. Furthermore, optical absorption properties are described using the Tauc non-direct transition model, revealing an approximate optical band gap of 1.64 eV. This band gap defines the energy required for electron transitions, elucidating the material’s electronic characteristics. The extinction coefficient (k) and refractive index (n) of the CS-doped films’ shows a dispersion behavior at visible regions of EM radiation. The Wemple-DiDomenico single oscillator model was used to investigate the n dispersion and determine the oscillator energy equivalent to the optical band gap. Additionally, calculations have been performed on optical dielectric properties and optical conductivity. The Urbach energy was measured and used to detect the structure of the films. The findings underscore the potential applications of these natural dye-doped CS films in eco-friendly materials and optical devices.

C=C Dissociative Imination of Styrenes by a Photogenerated Metallonitrene.

Photolysis of a platinum(II) azide complex in the presence of styrenes enables C=C double bond cleavage upon dissociative olefin imination to aldimido (PtII-N=CHPh) and formimido (PtII-N=CH2) complexes as the main products. Spectroscopic and quantum chemical examinations support a mechanism that commences with the decay of the metallonitrene photoproduct (PtII-N) via bimolecular coupling and nitrogen loss as N2. The resulting platinum(I) complex initiates a radical chain mechanism via a dinuclear radical-bridged species (PtII-CH2CHPhN•-PtII) as a direct precursor to C-C scission. The preference for the PtI mediated route over styrene aziridination is attributed to the distinct nucleophilicity of the triplet metallonitrene.

Growth, characterization, spectroscopic examination and computational analysis of optical properties of 3-Carboxypropanaminium DL-tartrate single crystal

Growth, characterization, spectroscopic examination and computational analysis of optical properties of 3-Carboxypropanaminium DL-tartrate single crystal

Advancing photocatalytic degradation under visible light with TiO2/g-C3N4 nanohybrid mechanistic insights

In this study, we presents a novel method for bolstering the photocatalytic effectiveness of crystalline titanium dioxide (TiO2) through the integration of graphitic carbon nitride (g-C3N4), creating a series of TiO2/g-C3N4 nanohybrids (TiCN-NHs). Leveraging an economical and scalable pyrolysis technique, we crafted different ratios of these nanohybrids (TiCN-NHs-1, TiCN-NHs-2, TiCN-NHs-3, and TiCN-NHs-4) to optimize their performance in harnessing visible light for photocatalysis. Detailed spectroscopic examinations were performed to dissect the nanohybrids’ structural and morphological nuances, alongside their chemical interactions and states. The primary evaluation of these nanohybrids’ photocatalytic prowess was the degradation of a selected colored organic contaminant under visible light exposure. The TiCN-NHs showcased an unprecedented photocatalytic degradation efficiency, surpassing that of p-TiO2 and bulk b-g-C3N4 by twelvefold and eightfold, respectively, under comparable conditions. This dramatic increase in photocatalytic activity is credited to the harmonious interface between TiO2 and g-C3N4 within the nanohybrids, fostering a diminished bandgap and promoting efficient charge separation. Additionally, photoluminescence and density of state analyses, specifically focusing on valence band spectra under visible light irradiation, further confirmed these findings. The synergistic effects observed in TiCN-NHs not only enhance photocatalytic degradation rates but also spotlight the potential of these nanohybrids in solar energy conversion and environmental cleanup applications, offering a promising avenue for future research in sustainable technologies.

Highly sensitive microfluidic sensor using integrated optical fiber and real-time single-cell Raman spectroscopy for diagnosis of pancreatic cancer

Pancreatic cancer is notoriously lethal due to its late diagnosis and poor patient response to treatments, posing a significant clinical challenge. This study introduced a novel approach that combines a single-cell capturing platform, tumor-targeted silver (Ag) nanoprobes, and precisely docking tapered fiber integrated with Raman spectroscopy. This approach focuses on early detection and progression monitoring of pancreatic cancer. Utilizing tumor-targeted Ag nanoparticles and tapered multimode fibers enhances Raman signals, minimizes light loss, and reduces background noise. This advanced Raman system allows for detailed molecular spectroscopic examination of individual cells, offering more practical information and enabling earlier detection and accurate staging of pancreatic cancer compared to conventional multicellular Raman spectroscopy. Transcriptomic analysis using high-throughput gene screening and transcriptomic databases confirmed the ability and accuracy of this method to identify molecular changes in normal, early, and metastatic pancreatic cancer cells. Key findings revealed that cell adhesion, migration, and the extracellular matrix are closely related to single-cell Raman spectroscopy (SCRS) results, highlighting components such as collagen, phospholipids, and carotene. Therefore, the SCRS approach provides a comprehensive view of the molecular composition, biological function, and material changes in cells, offering a novel, accurate, reliable, rapid, and efficient method for diagnosing and monitoring pancreatic cancer.

Peptide-Directed Synthesis of Aggregation-Induced Emission Enhancement-Active Gold Nanoclusters for Single- and Two-Photon Imaging of Lysosome and Expressed αvβ3 Integrin Receptors.

This study explores the synthesis and characterization of aggregation-induced emission enhancement (AIEE)-active gold nanoclusters (AuNCs), focusing on their near-infrared luminescence properties and potential applications in biological imaging. These AIEE-active AuNCs were synthesized via the NaBH4-mediated reduction of HAuCl4 in the presence of peptides. We systematically investigated the influence of the peptide sequence on the optical features of the AuNCs, highlighting the role of glutamic acid in enhancing their quantum yield (QY). Among the synthesized peptide-stabilized AuNCs, EECEE-stabilized AuNCs exhibited the maximum QY and a pronounced AIEE effect at pH 5.0, making them suitable for the luminescence imaging of intracellular lysosomes. The AIEE characteristic of the EECEE-stabilized AuNCs was demonstrated through examinations using transmission electron microscopy, dynamic light scattering, zeta potential analysis, and single-particle imaging. The formation of the EECEE-stabilized AuNCs was confirmed by size-exclusion chromatography and mass spectrometry. Spectroscopic and electrochemical examinations uncover the formation process of EECEE-stabilized AuNCs, comprising EECEE-mediated reduction, NaBH4-induced nucleation, complex aggregation, and subsequent cluster growth. Furthermore, we demonstrated the utility of these AuNCs as luminescent probes for intracellular lysosomal imaging, leveraging their pH-responsive AIEE behavior. Additionally, cyclic arginylglycylaspartic acid (RGD)-modified AIEE dots, derived from cyclic RGD-linked peptide-induced aggregation of EECEE-stabilized AuNCs, were developed for single- and two-photon luminescence imaging of αvβ3 integrin receptor-positive cancer cells.

The mysteries of DNA preservation in bone: A comparative study of petrous bones and metacarpal epiphyses using ATR-FTIR spectroscopy

A comparative analysis of 26 petrous bones and epiphyses of metacarpals from the Second World War era revealed no significant differences in DNA yield or success in STR typing. This unexpected parity in DNA preservation between the petrous bone, a renowned source of endogenous DNA in skeletal remains, and the epiphyses of metacarpals, which are porous and susceptible to taphonomic changes, is surprising. In this study, we introduced ATR-FTIR spectroscopy as an approach to unravel the correlation between bone molecular structure and DNA preservation. Metacarpals and petrous bones with same taphonomic history were sampled and prepared for DNA analyses. While one portion of the sample was used for DNA analysis, the other underwent ATR-FTIR spectroscopic examination. The normalized spectra and FTIR indices between the epiphyses of metacarpals and petrous bones were compared. Because the taphonomic history of the remains used is relatively short and stable, the ATR-FTIR spectroscopy unveiled subtle structural differences between the two bone types. Petrous bones exhibited higher mineralization, whereas epiphyses contained more organic matter. The unexpected preservation of DNA in the epiphyses of metacarpals can likely be attributed to the presence of soft tissue remnants within the trabeculae. Here observed differences in the molecular structure of bones indicate there are different mechanisms enabling DNA preservation in skeletal tissues.

2-Hydroxyglutarate as an MR spectroscopic predictor of an IDH mutation in gliomas.

The mutated enzyme isocitrate dehydrogenase (IDH) 1 and 2 has been detected in various tumor entities such as gliomas and can convert α-ketoglutarate into the oncometabolite 2-hydroxyglutarate (2-HG). This neuro-oncologically significant metabolic product can be detected by MR spectroscopy and is therefore suitable for noninvasive glioma classification and therapy monitoring.This paper provides an up-to-date overview of the methodology and relevance of 1H-MR spectroscopy (MRS) in the oncological primary and follow-up diagnosis of gliomas. The possibilities and limitations of this MR spectroscopic examination are evaluated on the basis of the available literature.By detecting 2-HG, MRS can in principle offer a noninvasive alternative to immunohistological analysis thus avoiding surgical intervention in some cases. However, in addition to an adapted and optimized examination protocol, the individual measurement conditions in the examination region are of decisive importance. Due to the inherently small signal of 2-HG, unfavorable measurement conditions can influence the reliability of detection. · MR spectroscopy enables the non-invasive detection of 2-hydroxyglutarate.. · The measurement of this metabolite allows the detection of an IDH mutation in gliomas.. · The choice of MR examination method is particularly important.. · Detection reliability is influenced by glioma size, necrotic tissue and the existing measurement conditions.. · Bauer J, Raum HN, Kugel H et al. 2-Hydroxyglutarate as an MR spectroscopic predictor of an IDH mutation in gliomas. Fortschr Röntgenstr 2024; DOI 10.1055/a-2285-4923.

Chemical bath deposited CdTe thin film: Optical, electrical, and photoresponse aspects

Owning a narrow bandgap, remarkable optical and electrical properties with notable stability has made cadmium telluride (CdTe) an immensely vital semiconductor to develop cutting-edge optoelectronics. Taking these properties in to account, CdTe thin film is deposited employing the chemical bath deposition (CBD) technique. The X-ray diffraction analysis of the as-deposited thin film unveiled the composite crystalline structure, incorporating cubic, hexagonal, and tetragonal phases. The energy dispersive X-ray analysis and X-ray photoelectron spectroscopy ascertained the chemical composition of CdTe thin film. Distinctive Raman peaks are detected at 141 and 167 cm−1, signifying the presence of Cd-Te bond in the deposited thin film. The comprehensive evaluation of scanning electron micrographs emphasized the firm adhesion of the film to the substrate and displayed a uniform overlay of microstructures resembling rods. The observations from atomic force microscopy unveiled uniform grain structure with topographical features of hills and valleys. The UV-Visible spectroscopic examination elucidated that the as-deposited thin films exhibits a direct optical bandgap value of 1⋅59 eV. Temperature-dependent analysis of d.c. electrical resistivity exhibited a descending pattern, substantiating thin film's semiconducting attributes. The investigation into the photoresponse attributes of the thin film is accomplished by subjecting it to a polychromatic light, green and red monochromatic light source with an intensity of 50 mW/cm² employing three different biasing voltages. The thin film demonstrated maximum photocurrent for red light source than polychromatic and green light with maximum responsivity of 59⋅4 μA/W and detectivity of 17⋅7 × 106 Jones. These findings provide valuable insights on the photoresponse behavior of CBD deposited CdTe thin film in its as-deposited form.

Designing Organic π-Conjugated Molecules for Crystalline Solid Solutions: Adamantane-Substituted Naphthalenes.

We showcase herein organic crystalline solid solutions (CSSs) based on the simplest polycyclic aromatic hydrocarbon (PAH) scaffold, naphthalene, stabilized by dispersion forces induced by adamantane substitution. High thermal stability of the host and guest molecules synthesized by cross-coupling of dibromonaphthalene derivatives and 4-(1-adamantyl)phenyl boronic ester enabled formation of crystals by sublimation. We could generate binary monocrystalline solid solution systems proven by X-ray crystallography, the first system of designed CSSs stabilized exclusively via dispersion forces with structural evidence. These observations are additionally supported by lattice energy calculations and spectroscopic examinations. For the generation of CSSs, it is of utmost importance that the host and guest molecules have similar lattice energies and spatial compatibility. We anticipate that the thermostable organic CSS design demonstrated herein would be beneficial for functional materials and further investigation towards materials with unique properties.

Enhancement in the Electrocatalytic and Optoelectronic Performance of Cost-Effective Counter Electrode VO2 for Dye-Sensitized Solar Cell (DSSC)

Dye-sensitized solar cells (DSSCs) have garnered significant attention in the scientific community for more than two decades due to their cost-effectiveness, convenient manufacturability, little toxicity, and straightforward preparation methodology. In this study, we present a cost-effective alternative to the platinum electrode for DSSCs, which serves as the counter electrode. The utilization of vanadium oxide nanoparticles as counter electrodes (CEs) in DSSCs has been the subject of research due to its enhanced stability, cost-effectiveness, and favorable photovoltaic characteristics. The device has been fabricated in configuration of fluorine-doped tin oxide (FTO)||TiO2||ruthenium (II) dye (N719)||iodide—triiodide electrolyte||VO2 (counter electrode)||FTO and investigate their photovoltaic performance. The utilization of X-ray diffraction (XRD) analysis has provided insights into the crystalline properties of VO2, indicating that it exists in a crystalline phase with a crystalline size measuring 43.19 nm and a lattice strain of 1.68 × 10−3. The utilization of a field emission scanning electron microscope (FESEM) that is equipped with an energy dispersive X-ray spectrum reveals a dense microstructure characterized by a uniform distribution of vanadium (V) and oxygen (O) across the whole surface. The Raman spectroscopic examination of VO2 reveals the existence of many Raman bands, thereby confirming the presence of the monoclinic phase. Cyclic voltammetry measurements were employed to investigate the catalytic activity of the CE toward the electrolyte. The photovoltaic performance of the manufactured device was examined by I–V measurement, revealing a notable open circuit voltage (Voc) and efficient power conversion efficiency when compared to the other materials that were evaluated.

Simulation and practical investigation of carbonic anhydrase stability in an industrial solvent system of methyl diethanolamine for carbon dioxide capture

Carbonic anhydrase owing to its potential as an industrial biocatalyst for carbon dioxide sequestration from flue gas has attracted considerable attention in solving global warming problems. A large body of research has been conducted to increase the thermal stability of carbonic anhydrase from different sources against the harsh operational conditions of CO2 capture systems. In contrast to cost-intensive protein engineering methods, solvation with aqueous-organic binary mixtures offers a convenient and economical alternative strategy for retention of protein structure and stability. This study aimed to examine the stabilizing effect of methyl diethanolamine (MDEA) as a component of an aqueous-organic solvent mixture on human carbonic anhydrase II (HCA II) at extreme temperatures. Computational and also spectroscopic examinations were employed for tracking conformational changes and stability evaluation of HCA II in 50:50 (vol %) water: MDEA binary mixture at high temperature. Molecular dynamic (MD) simulation studies predicted the high thermal stability of HCA II in the presence of MDEA. UV absorbance spectra confirmed the thermo-stabilizing effect of the binary solvent mixture on HCA II. While the enzymatic activity of HCA II at 25 °C in the presence of 10, 25, and 50 (vol%) of MDEA was substantially increased, no obvious effect on retention of HCA II activity in the water-MDEA binary solvent mixture at 85 °C was seen. It is shown that the solvation of HCA II in the presence of MDEA could result in the prevention of aggregate formation in high temperatures but not functional stability. Communicated by Ramaswamy H. Sarma

Interionic bonding in aqueous phosphonium ionic liquid solutions exhibiting LCST behavior with high phase separation temperatures

Phosphonium-derived ionic liquids have emerged as a powerful class of thermoresponsive materials with sought after Lower Critical Solution Temperature (LCST) phase separation with applications across a broad range of fields. Herein, we report the spectroscopic examination of phosphonium salts bearing the general structure [X][P444n] wherein systematic structural variations were designed to gain a fundamental understanding behind the impact of alkyl chain length, anion size, and effective nuclear charge on their temperature-dependent phase separation behavior. Using variable temperature 1H, 31P, and 19F NMR, the bonding changes which drive LCST phase separation for the assembled thermoresponsive ILs were elucidated. For the first time, spectroscopic evidence revealed a delicate balance between the interdependence of alkyl chain length and anion size on phase separation that formed the basis of new LCST design principles.

Biotransformation of Ursonic Acid by Aspergillus ochraceus and Aspergillus oryzae to Discover Anti-Neuroinflammatory Derivatives.

Biotransformation of ursonic acid (1) by two fungal strains Aspergillus ochraceus CGMCC 3.5324 and Aspergillus oryzae CGMCC 3.407 yielded thirteen new compounds (4, 5, 7-10, and 13-19), along with five recognized ones. The structural details of new compounds were determined through spectroscopic examination (NMR, IR, and HR-MS) and X-ray crystallography. Various modifications, including hydroxylation, epoxidation, lactonization, oxygen introduction, and transmethylation, were identified on the ursane core. Additionally, the anti-neuroinflammatory efficacy of these derivatives was assessed on BV-2 cells affected by lipopolysaccharides. It was observed that certain methoxylated and epoxylated derivatives (10, 16, and 19) showcased enhanced suppressive capabilities, boasting IC50 values of 8.2, 6.9, and 5.3 μM. Such ursonic acid derivatives might emerge as potential primary molecules in addressing neurodegenerative diseases.

Calculate of Plasma Parameters Produce from Copper Target using Boltzmann-Plots Method

This research shows the optical emission spectroscopy (OES) of copper (Cu) plasma. Copper plasma was induced using a Q-switched Nd: YAG pulsed laser with the following parameters: fundamental wavelength (1064[Formula: see text]nm), energy range (400–600) mJ, frequency (6) Hz and laser pulses (10–30 pulses). Many characteristics of plasma, such as electron temperature ([Formula: see text]), electron density ([Formula: see text]), Debye length ([Formula: see text]) and plasma frequency ([Formula: see text]), have been determined via spectroscopic examination. Electron temperature ([Formula: see text]) ranged from (1.47–1.759)[Formula: see text]eV, and electron number density ([Formula: see text]) ranged from (6.3–11.4) [Formula: see text][Formula: see text]cm3. The picture of the site of laser bombardment of copper (Cu) metal displays three diameters or circles, each of which has a distinct hue. The laser’s interaction with the copper metal is seen via laser ablation, and the influence of the increasing energy of the laser is seen here during the spectroscopic diagnostic and the process of metal bombardment, leading to the formation of a crater.

Highly efficient adsorbent for removing uranium (VI) from water based on a novel phosphate esterification hyper-cross-linked polymer

There is a strong need for the development of effective uranium sorbents. Here, the Friedel-Crafts reaction was performed in a simple one-step manner followed by phosphate esterification to prepare porous hyper-cross-linked Bisphenol F (PHCP-BF) for prospective utilization in the removal of U(VI) from wastewater. PHCP-BF has pores with a size of 2.6 nm and a significant BET surface area (up to 387.31 m2/g). It was extensively investigated how a variety of environmental conditions (e.g., pH, contact time, temperature, etc.) affected the treatment results. In terms of adsorption capacity, uranium possessed a maximum of 120 mg/g (pH = 7), which is twice that of the original material HCP-BF (59.39 mg/g). According to the modeling results, with the Langmuir isotherm and a pseudo-second-order kinetic model, the data matched the sorption data very well. It was found that PHCP-BF possessed good selectivity for uranium, which was considerably greater than that of other co-existing metals. After three cycles, PHCP-BF still maintained a certain adsorption capacity. In light of several spectroscopic examinations, the mechanism of uranium removal by PHCP-BF is the chelated of P = O with U (VI). The results obtained suggest that PHCP-BF can be used effectively to remove uranium from water.

New Bis-1,3,4-Thiadiazoles Based on Fumaric Acid: Preparation, Structure Elucidation, Antibacterial Activities, and Quantum-Chemical Studies

New bis-1,3,4-thiadiazoles 1–7 were obtained by the reaction of fumaric acid and N-(alkyl/aryl/cyclic)thiosemicarbazides in the presence of phosphorous oxychloride. The structures of all compounds were elucidated by FT-IR, 1H NMR, and 13C NMR and elemental analysis. Antibacterial activity of the compounds was studied for eight selected bacteria. Compounds 2–7 exhibited effect on Klebsiella pneumoniae. However, none of the compounds effect on Pseudomonas aeruginosa, Staphylococcus epidermidis, Salmonella enterica serovar Kentucky, Serratia marcescens. Self-consistent reaction force (SCRF) calculations were performed in DMSO medium to examine solvent energies using CPCM and SMD models. 6-31G(d) and 6-311++G(2d,2p) basis sets were used for DFT calculations. Besides electronic parameters such as electronegativity, electrophilicity and spectroscopic examinations of the compounds, QTAIM, local electron affinities, and Fukui analyses were also performed. Theoretical approaches supporting the experimental observations revealed that compounds containing aromatic and cyclic groups exhibit stronger antibacterial behavior than compounds containing aliphatic groups.