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This paper presents the results of the use of MFI zeolite as a catalyst modified with tin and iron. Sn‐MFI and Fe‐MFI catalysts were obtained by ion exchange under hydrothermal conditions with and without ammonium exchange. Catalytic materials were characterized with the use of analytical techniques such as X‐ray diffraction (XRD), Brunauer–Emmett–Teller method (BET), diffuse reflectance spectroscopy in the ultraviolet‐visible range (DRS UV–visible), hydrogen temperature programmed reduction (H2‐TPR), or Fourier transform infrared (FTIR) spectroscopy. The one‐pot catalytic conversion of fructose was performed at 220 °C for 1–5 h. Based on the results, the influence of time and material selection on the products obtained can be seen. Lactic acid (LAC) was obtained with a yield of 68.7% (after 2 h) and levulinic acid (LA) with a yield of 70.9% (after 5 h) with the participation of MFI. In turn, formic acid with a yield of 28.5% (after 5 h) was obtained with the participation of Fe‐MFI. [ABSTRACT FROM AUTHOR]

BACKGROUND: Most microorganisms that cause food decay and the lower the shelf life of foods are fungi. Nanotechnologies can combat various diseases and deal with the application of nanomaterial to target cells or tissues. In this study selenium nanoparticles (Se‐NPs) were synthesized using ascorbic acid and characterized by ultraviolet–visible spectroscopy, transmission electron microscopy (TEM), X‐ray diffraction and zeta potential. The different concentrations of As/Se‐NPs were tested against various fungi, including Alternaria linicola, Alternaria padwickii, Botrytis cinerea, Bipolaris sp., Cephalosporium acremonium, Fusarium moniliform and Fusarium semitectum. This study tested the influence of coated As/Se‐NPs on healthy strawberry fruits and those infected with Botrytis cinerea during 16 days of storage, with regard to shelf life, decay percentage, weight loss, total titratable acidity percentage, total soluble solids content (TSS) and anthocyanin content. RESULTS: Energy‐dispersive X‐ray analysis showed only two elements: selenium and oxygen. TEM images showed that the nanoparticles ranged in size between 26 to 39 nm and were rhombohedral in shape. Se‐NPs showed antifungal activity against all tested fungi, the most effective being against Botrytis cinerea, Cephalosporium acremonium and Fusarium semitectum. During storage periods of strawberries fruits coated with As/Se‐NPs, the shelf life was increased, and the number of decaying fruits was less than in control (uncoated) and coated infected fruits. The decline in weight loss was lower in coated fruits than in control fruits. CONCLUSION: These findings demonstrated that As/Se‐NPs could effectively maintain the postharvest quality of strawberries, even when the fruit was infected with B. cinerea. © 2024 Society of Chemical Industry. [ABSTRACT FROM AUTHOR]

The development of in situ techniques to quantitatively characterize the heterogeneous reactions is essential for understanding physicochemical processes in aqueous phase. In this work, a new approach coupling in situ UV–vis spectroscopy with a two‐step algorithm strategy is developed to quantitatively monitor heterogeneous reactions in a compact closed‐loop incorporation. The algorithm involves the inverse adding‐doubling method for light scattering correction and the multivariate curve resolution‐alternating least squares (MCR‐ALS) method for spectral deconvolution. Innovatively, theoretical spectral simulations are employed to connect MCR‐ALS solutions with chemical molecular structural evolution without prior information for reference spectra. As a model case study, the aqueous adsorption kinetics of bisphenol A onto polyamide microparticles are successfully quantified in a one‐step UV–vis spectroscopic measurement. The practical applicability of this approach is confirmed by rapidly screening a superior adsorbent from commercial materials for antibiotic wastewater adsorption treatment. The demonstrated capabilities are expected to extend beyond monitoring adsorption systems to other heterogeneous reactions, significantly advancing UV–vis spectroscopic techniques toward practical integration into automated experimental platforms for probing aqueous chemical processes and beyond. [ABSTRACT FROM AUTHOR]

In the United States, illicit fentanyl is often trafficked as blue tablets mimicking the legitimate M‐30 oxycodone tablet produced by Mallinckrodt. The analysis of dyes extracted from seized fentanyl tablets could provide a useful tool for law enforcement to establish linkages between cases and could prove useful for attributing a seizure to a given trafficking organization. Fentanyl tablet seizures associated with a particular drug trafficking organization (DTO), either through investigative or intelligence information, were used as the sample set for this study. The blue dye from the tablets was isolated by solid phase extraction and then qualitatively and quantitatively analyzed via ultraviolet‐visible spectroscopy. This research revealed that the illicit tableting facilities use a different dye than several known pharmaceutical companies. The concentration of dye in individual tablets within a seizure proved to be very minimal, and the small sample size made it difficult to draw linkages from case to case. Analysis of the dyes could not effectively differentiate between the drug trafficking organizations in the tested population due to each DTO using the same dye; however, it is important to note that the dye found was consistent between illicit tablets. [ABSTRACT FROM AUTHOR]

In this investigation, the impact of reducing agent concentration on the synthesis of zinc oxide nanoparticles (ZnO NPs) was examined. During the synthesis, an assessment of ionic conductivity was carried out, revealing a significant increase in conductivity prior to the introduction of the reducing agent, followed by a sharp decrease upon its addition. Characterization of the ZnO NPs involved ultraviolet‐visible spectroscopy, scanning electron microscopy, Fourier‐transform infrared spectroscopy, and, X‐ray diffraction analysis. The outcomes suggest that the characteristics of the ZnO NPs are influenced by the concentration of the reducing agent during the synthesis process. Notably, the ZnO NPs synthesized with a higher concentration of reducing agent exhibited a narrower optical band gap and increased surface energy. Furthermore, employing a concentration of 0.5 v/v resulted in the rapid production of NPs with relatively uniform sizes. Conversely, concentrations below 0.5 v/v lead to slow formation, while concentrations exceeding 0.5 v/v yielded non‐uniform NPs. [ABSTRACT FROM AUTHOR]

In this study five different complexes of Cu(II) were synthesized for the purpose of environmentally notorious mercury sensing and preliminary biological screening. Pyridine‐2,6‐dicarboxylic acid (also known as dipicolinic acid, and abbreviated as H2DPA), 3‐phenyl pyrazole (3‐ppz), 4‐iodo‐1H‐pyrazole (4‐ipz), 4‐nitropyrazole (4‐npz), 4‐bromopyrazole (4‐bpz), and 4‐chloropyrazole (4‐cpz) were chosen as potential ligands. The synthesized complexes labelled as 1–5, namely [Cu(DPA)(3‐ppz)], [Cu(DPA)(4‐ipz)], [Cu(DPA)(4‐npz)], [Cu(DPA)(4‐bpz)], [Cu(DPA)(4‐cpz)], were proposed based on spectroscopic data (FTIR, TGA, and UV‐visible spectroscopy). These complexes feature C=O functionalities that are not involved in coordination and may be used for further applications. The isolated complexes were utilized for detecting Hg(II) ions in water samples. Various concentrations of Hg(II) ions were prepared for detection purposes, and changes in absorption concerning complexes 1–5 were determined using UV‐Visible spectroscopy. It was found that complexes 3 and 4 exhibit efficient sensing abilities towards Hg(II) ions. The antibacterial activities of complexes 1–5 were assessed against S. typhi and E. coli. The complexes 1 and 3 displayed good antibacterial activities against S. typhi (13.67, and 13.56 mm, respectively) while complexes 1, 2 and 4 were found to be efficient against E. coli (11.6, 12.66, 11.31 mm, respectively). The absorption maxima of 2,2‐diphenyl‐1‐picryhydrazyl (DPPH) at 517 nm, considerably shifted upon addition of complexes 1–5. The results reveal that the complexes possess potential free radical scavenging abilities. [ABSTRACT FROM AUTHOR]

Orienting polymer semiconductors is desirable to optimize device characteristics, provide insight into microstructure, and magnify subtle phase behavior. Here, a combination of uniaxial strain and subsequent heating of the donor–acceptor (DA) polymer PBnDT‐FTAZ is discovered to lead to exceptional optical dichroic ratios of up to 38 (and close to 50 near the polymer's absorption edge). This alignment is achieved due to the existence of a previously undetected thermotropic liquid crystal (LC) mesophase. The LC transition, not discernable through calorimetry, is uncovered through a combination of in situ UV–vis spectroscopy, X‐ray scattering, and dynamic mechanical analysis (DMA). Comparing PBnDT‐FTAZ to the non‐fluorinated PBnDT‐HTAZ and the homo polymer PBnDT, all of which show similar thermal transitions, reveals that exceptional alignment is only found in PBnDT‐FTAZ. This is attributed to the PBnDT‐FTAZ film having two distinct liquid crystal populations, and the polymer templating to a highly aligned, high‐clearing temperature population when heated. The DMA thermal relaxation behavior observed here is also seen in other DA conjugated polymers suggesting that such thermotropic LC mesophases may be common in these materials. These findings demonstrate a polymer semiconductor with remarkable alignment and uncover phase behavior with broad implications for process‐structure‐property relationships in polymer semiconductors. [ABSTRACT FROM AUTHOR]

Visible‐light‐induced difunctionalization of alkenes is a powerful strategy for constructing complex molecules. Herein, we disclose a three‐component 1,2‐alkylpyridylation of alkenes under mild and photosensitizers‐free conditions. UV‐vis absorption spectroscopy studies and NMR titration experiments indicate that the formation of an EDA complex between 4‐alkyl‐DHPs and 4‐cyanopyridines. Primary, secondary, and tertiary C(sp3)‐centered radicals were formed by homolytic cleavage of 4‐alkyl‐DHPs. Gram‐scale synthesis and late‐stage functionalization of medicinally relevant molecules showed the synthetic potential of our methodology. [ABSTRACT FROM AUTHOR]

A highly efficient hydrogel derived from D-Mannitol xanthate has been successfully synthesized using a free-radical solution copolymerization technique. An equimolar mixture of acrylonitrile (AN) and acrylic acid (AA) has been reacted with D-Mannitol xanthate (DMX) under inert atmosphere. Three distinct grades of D-Mannitol xanthate-based hydrogels viz. DMXHGs-1, DMXHGs-2, and DMXHGs-3, were prepared. Extensive analyses were conducted on the hydrogels using various methods such as UV, FT-IR, SEM, XRD, GPC, TGA and ΔpHPZC. The maximum swelling ratio of DMXHGs-3 was found to be 52122%, 50434% and 48576% for 24 h with water retention ratio of 80.98%, 78.64% and 79.22% for 30 h in distilled, tap and gray water respectively. These findings indicate the DMXHGs-3 hydrogel has remarkable swelling and water retention capacity. Comprehensive investigations were carried out to evaluate the hydrogel's remarkable adsorption capacity to act as an adsorbent for effectively removing hazardous metal ions. The highest removal percentages of 95.5% and 94.4% and maximum adsorption capacities of 523.56 mg g-1 and 462.96 mg g-1 were observed with DMXHGs-3 hydrogel for Cu2+ and Co2+ ions, respectively. Metal ion removal experiments were conducted by varying several parameters including dosage, pH, temperature, concentration, and time. The quantification of Cu2+ and Co2+ was accomplished using UV–visible spectroscopy. Present studies demonstrate the suitability of D-mannitol xanthate-based hydrogels for the efficient removal of toxic metal ions from wastewater [ABSTRACT FROM AUTHOR]

We synthesized a pyrene‐based sensitive fluorescent chemosensor, TPA‐Cl ((E)‐N,N,N‐trimethyl‐2‐oxo‐2‐(2‐(pyren‐1‐ylmethylene)hydrazinyl)ethan‐1‐aminium chloride), to detect hypochlorite in a perfect aqueous solution. TPA‐Cl showed high selectivity for hypochlorite through fluorescence color change from sky blue to blue. The detection limit for hypochlorite was calculated as 0.27 μM, which is a quite low value. Moreover, the presence of other anions or ROS hardly hindered the sensing of hypochlorite by TPA‐Cl. Furthermore, TPA‐Cl could be applied successfully as a test kit for the simple recognition of hypochlorite. Surprisingly, TPA‐Cl is the first pyrene‐based fluorescent chemosensor that can detect ClO− by using the TPA‐Cl‐coated test kit. Moreover, TPA‐Cl could achieve the quantification of ClO− in various environmental water samples. The hydrolytic cleavage and oxidation mechanism of TPA‐Cl by hypochlorite was elucidated through UV–vis and fluorescent spectroscopy, 1H NMR titration, ESI‐MS analysis and DFT calculation. [ABSTRACT FROM AUTHOR]

Noncovalent cofacial porphyrin dimers have attracted interest due to their potential use as host materials or catalysts. In this study, we introduce a novel coordination‐directed cofacial porphyrin dimer from a meso‐tetraphenylporphyrin derivative modified with 2,2′‐bipyridine moieties at the meta positions of the phenyl groups. Spectroscopic investigation has shed light on the binding processes and the structure of the dimer in solution in detail. Initial Zn2+ ion binding to the porphyrin hinders the subsequent Zn2+ binding and the binding of the second porphyrin. However, once the dimer is formed, additional Zn2+ binding is notably enhanced, resulting in a pronounced S‐shaped binding curve. The detailed structure of the dimer in solution was established based on UV‐vis spectroscopy, various 1H NMR spectroscopy techniques and mass spectrometry. Simulations of ring‐current‐induced chemical shift changes provided evidence for the face‐to‐face porphyrin structure with tetrahedral coordination of the bipyridine ligands. The X‐ray single crystal structure provided conclusive evidence for the structure of the face‐to‐face dimer, which remarkably resembles the model structure from the 1H NMR simulation. The stability of the dimer structure makes it promising for further exploration of this motif in developing new supramolecular structures and for their potential applications as host compounds and catalysts. [ABSTRACT FROM AUTHOR]

Amyloid fibrillation kinetics of proteins associated with neurodegenerative diseases has been extensively studied using Raman spectroscopy. The normalization factor for the spectra is crucial for obtaining correct kinetics of Raman indicators, especially vibrational band intensities. Here, we compared the concentration dependences between the absorption at 280 nm in UV–vis spectroscopy and the phenylalanine (Phe) Raman band intensity at 1003 cm−1 in amyloid fibrillation kinetics of lysozyme. The former exhibits better performance as normalization factor. Using this new normalization factor, the effect of pH value on the transformation of hen egg‐white lysozyme (HEWL) tertiary and secondary structures was studied subsequently. With increasing acidity, the unfolding of tertiary structures and the transformation of secondary structures are significantly accelerated. Notably, the populations of various secondary structures in the final state remain in the pH < 2.0 solutions, indicating that the branching ratios of "on‐pathway" to amyloid fibrils and "off‐pathway" to gel‐like aggregates are independent on the pH value in the range of 1.1–1.9. [ABSTRACT FROM AUTHOR]

Mitochondria play a crucial role in mediating apoptosis and have emerged as a promising therapeutic target for the treatment of cancer. Nevertheless, exploration of mitochondrial apoptosis as a mechanism for anticancer activity in vitro remains notably sparse. Herein, the ligands 4′,4″′‐(phenylazanediyl)bis(([1,1′‐biphenyl]‐4‐carboxylic acid)) (H2L1) and 4′,4″′‐(phenylazanediyl)bis(3‐fluoro‐[1,1′‐biphenyl]‐4‐carboxylic acid) (H2L2) were synthesized and further combined with organotin precursors and auxiliary ligands (4,4′‐bipy = 4,4′‐bipyridine, 4,4′‐bpe = 4,4′‐vinylenedipyridine) to give eight organotin complexes [(Ph3Sn)2L] (1a and 2a), [(Et3Sn)2L]n (1b and 2b), [(n‐Bu3Sn)2L(4,4′‐bipy)]n (1c and 2c), [(n‐Bu3Sn)2L(4,4′‐bpec)]n (1d and 2d). The complexes were characterized by X‐ray single crystal diffraction, NMR (1H, 13C, and 119Sn), IR, and UV–Vis spectroscopy. The complexes exhibited strong anticancer activity against the four cancer cells and a certain degree of broad‐spectrum with the IC50 ranging from 0.25 to 22.43 μM. Furthermore, complexes 2a and 2b were selected as representatives to further investigate their anticancer mechanisms. The results suggested that these complexes could target mitochondria after cellular uptake, thereby inducing intracellular ROS production, leading to MMP collapse and activation of caspase‐3, that is, these complexes potentially exert their anticancer effects through the mitochondria‐mediated apoptotic pathway. [ABSTRACT FROM AUTHOR]

The properties of natural polyphenol curcumin in water solutions of cationic Gemini surfactants decamethoxin and ethonium, which have similar positively charged nitrogen hydrophilic head groups but different spacer sizes and lengths of hydrophobic tails have been investigated in a wide range of concentrations by using UV–Vis spectroscopy and quantum‐chemical calculations. It was found that curcumin dissolves in the organized micellar media of these surfactants in the enol tautomeric form and its solubility increases 400 times compared to water. The binding constants of curcumin with decamethoxin and ethonium were determined by the solubility method. Significant differences in the influence of premicellar concentrations of cationic Gemini surfactants on the solubility and tautomeric transformations of curcumin were revealed. In contrast to decamethoxin, ethonium at a concentration below the CMC promotes a significant increase in the solubility of curcumin and a shift in the tautomeric equilibrium towards the formation of its keto form. [ABSTRACT FROM AUTHOR]

The optimization of nanomaterial synthesis using numerous synthetic variables is considered to be an extremely laborious task because conventional combinatorial explorations are prohibitively expensive. In this work, an autonomous experimentation platform developed for the bespoke design of metal nanoparticles (NPs) with targeted optical properties is reported. This platform operates in a closed‐loop manner between the batch synthesis module of metal NPs and the UV–vis spectroscopy module, based on the feedback of the AI optimization modeling. With silver (Ag) NPs as a representative example, it is demonstrated that the Bayesian optimizer implemented with the early stopping criterion can efficiently produce Ag NPs at room temperature precisely possessing the desired absorption spectra within only 200 iterations (when optimizing among five aqueous synthetic reagents). In addition to the outstanding material developmental efficiency, the analysis of synthetic variables further reveals a novel chemistry involving the quantitative effects of citrate in Ag NP synthesis. The amount of citrate is key to controlling the competition between spherical and plate‐shaped NPs and, as a result, affects the shapes of the absorption spectra as well. This study highlights both capabilities of the platform to enhance search efficiencies and to provide novel chemical knowledge by analyzing datasets accumulated from autonomous experimentations. [ABSTRACT FROM AUTHOR]

Radical polymers are actively being investigated in different applications such as batteries. In order to store higher energy, radical polymers with high redox potential are searched. This work describes the synthesis of 2,2,5,5‐tetramethylpyrrolin−N−oxyl methacrylate monomer (PROXYL−methacrylate) and its polymerization to get a PolyPROXYL−methacrylate (PPMA) by free radical polymerization. The structures of the monomer and the percentage of redox active groups of the polymer were determined by mean of NMR and UV‐Vis spectroscopy, respectively. Cyclic voltammetry of the novel redox polymer revealed a half‐wave potential (E1/2) of 3.7 V vs Li+/Li stable at different scan rates, which was ascribed to the efficient swelling and insoluble properties of PPMA. The polyPROXYL−methacrylate polymer exhibits higher nominal redox potential than the reference radical polymer polyTEMPO−methacrylate (PTMA). Li−metal lab‐scale cells fabricated with the PPMA cathode active material performed at different C‐rates (up to 50 C) with reversible charge/discharge and a specific capacity output of 80 mAh g−1 at 1 C, along with 96 % capacity retention after more than 100 cycles. Finally, the comparison between PPMA and PTMA redox polymers evidenced the superior performances of the PROXYL with respect to TEMPO in terms of energy density and half‐wave potential. [ABSTRACT FROM AUTHOR]

Metal complexes have pivotal applications in catalysis, photochemistry, and biological systems. Due to their unique chemical properties, metal complexes occupy a coveted place in the field of drug design. The present study includes the synthesis of symmetrical oxamides (O1–O11) and their copper complexes (C1–C11) that have potential to inhibit α‐glucosidase and lipoxygenase enzymes. To elucidate the structures of these compounds, spectroscopic investigations including mass spectrometry, 1H‐NMR spectroscopy, UV‐Visible spectroscopy and IR spectroscopy were adapted along with CHN elemental analysis. The spectroscopic investigations suggested that the synthesized complexes to be square planar with metal to ligand ratio 1 : 2. All compounds were scanned for potential inhibitory studies against α‐glucosidase and lipoxygenase enzyme. Their structure activity relationships (SAR) were also established. It was found that all synthesized compounds are strong inhibitors of α‐glucosidase when compared to standard 1‐deoxynojirimycin. It was noteworthy that presence of substituent played a significant role for the enhancing potential inhibitory skills of the compounds. The results obtained were also compared with molecular docking studies. A similar inhibition trend was observed between experimental inhibitory activity and docking energies. The current work presents a special class of Cu(II) coordination complexes from the perspective of their biological as well as structural features. [ABSTRACT FROM AUTHOR]

Inspired by natural enzymes, this study presents a nickel-based molecular catalyst, [Ni||(N2S2)]Cl2 (NiN2S2, N2S2=2,11-dithia[3,3](2,6)pyridinophane), for the photochemical catalytic reduction of CO2 under visible light. The catalyst was synthesized and characterized using various techniques, including liquid chromatography-high resolution mass spectrometry (LCHRMS), UV-Visible spectroscopy, and X-ray crystallography. The crystallographic analysis revealed a slightly distorted octahedral coordination geometry with a mononuclear Ni2+ cation, two nitrogen atoms and two sulfur atoms. Photocatalytic CO2 reduction experiments were performed in homogeneous conditions using the catalyst in combination with [Ru(bpy)3]Cl2 based molecular catalyst, [Ni||(N2S2)]Cl2 (NiN2S2, N2S2=2,11-dithia[3,3](2,6)pyridinophane), for the photochemical catalytic reduction of CO2 under visible light. The catalyst was synthesized and characterized using various techniques, including liquid chromatography-high resolution mass spectrometry (LCHRMS), UV-Visible spectroscopy, and X-ray crystallography. The crystallographic analysis revealed a slightly distorted octahedral coordination geometry with a mononuclear Ni2+ cation, two nitrogen atoms and two sulfur atoms. Photocatalytic CO2 reduction experiments were performed in homogeneous conditions using the catalyst in combination with [Ru(bpy)3]Cl2 (bpy=2,2'-bipyridine) as a photosensitizer and 1,3-dimethyl-2-phenyl-2,3-dihydro-1H-benzo[d]imidazole (BIH) as a sacrificial electron donor. The catalyst achieved a high selectivity of 89% towards CO and a remarkable turnover number (TON) of 7991 during 8 h of visible light irradiation under CO2 in the presence of phenol as a co-substrate. The turnover frequency (TOF) in the initial 6 h was 1079 h-1, with an apparent quantum yield (AQY) of 1.08 %. Controlled experiments confirmed the dependency on the catalyst, light, and sacrificial electron donor for the CO2 reduction process. These findings demonstrate this bioinspired nickel molecular catalyst could be effective for fast and efficient photochemical catalytic reduction of CO2 to CO. [ABSTRACT FROM AUTHOR]

In this study, a series of H‐bonded arylamide foldamers bearing benzoselenadiazole ends with solvent‐responsive properties have been synthesized. In dichloromethane or dimethyl sulfoxide solvents, the molecules exhibit meniscus or linear structures, respectively, which can be attributed to the unique intramolecular hydrogen bonding behavior evidenced by 1D 1H NMR and 2D NOESY spectra. UV‐vis spectroscopy experiments show that the absorption wavelength of H‐bonded arylamide foldamers are significantly red‐shifted due to the presence of benzoselenadiazole group. In addition, the crystal structures reveal that effective intermolecular dual Se ⋅ ⋅ ⋅ N interactions between benzoselenadiazole groups induce further assembly of the monomers. Remarkably, supramolecular linear and double helices structures are constructed under the synergistic induction of intramolecular hydrogen bonding and intermolecular chalcogen bonding. Additionally, 2D DOSY diffusion spectra and theoretical modelling based on density functional theory (DFT) are performed to explore the persistence of intermolecular Se ⋅ ⋅ ⋅ N interactions beyond the crystalline state. [ABSTRACT FROM AUTHOR]

The sulfonamide‐derived compounds have demonstrated various pharmaceutical properties. However, the exploration of certain properties, such as phosphatase inhibition and anti‐thyroid activities, has been limited in the existing literature. The present study aimed to investigate these specific activities for the Schiff base (Z)‐4‐(4‐oxopent‐2‐en‐2‐ylamino)benzenesulfonamide. The compound underwent thorough physicochemical characterization, including FTIR, Raman, and UV‐Vis spectroscopy, along with theoretical DFT calculations. It exhibited inhibitory activity against intestinal alkaline phosphatase, showing an IC50 value of 37.0±1.0 μM, with kinetic studies indicating a mixed mode of inhibition. Additional insights into the inhibition process were gained through fluorescence spectroscopy and molecular docking studies. The potential anti‐thyroid activity was explored through charge‐transfer studies with iodine, revealing a strong interaction (Kc=2.16±0.05×104 M−1), suggesting a role in reducing the iodination process of triiodothyronine (T3) and thyroxine (T4). Moreover, the compound showed strong, spontaneous, and reversible binding to albumin, indicating potential pharmaceutical relevance. ADME properties were also calculated, confirming favorable drug‐likeness. This study provides valuable insights into the multifaceted pharmaceutical properties of the investigated sulfonamide‐derived compound, encouraging further exploration of its therapeutic potential. [ABSTRACT FROM AUTHOR]

In present study, a series of MnAlxFe2−xO4 (x = 0.1, 0.2, 0.3) ferrite nanoparticles are synthesized via auto‐combustion method and investigated for the structural, optical, and antifungal characteristics. X‐ray diffraction and transmission electron microscopy are employed to analyze the structure and morphology, revealing alterations in the lattice parameters and crystallite size (24.83–17.95 nm) due to Al doping. The optical properties of the synthesized nanoparticles are examined through UV–visible spectroscopy, indicating a decrease in the bandgap energy (1.44–1.33 eV) with the incorporation of Al3+ ions. Additionally, the antifungal activity of the Al‐doped MnFe2O4 nanoparticles is assessed against two selected fungal strains, i.e., Aspergillus niger (MTCC 282) and Candida albicans (MTCC 227). The findings contribute to the understanding of the multifaceted properties of Al‐doped MnFe2O4, highlighting its potential applications in diverse fields such as sensors, and biomedical research. [ABSTRACT FROM AUTHOR]

The development of reaction pathways and ancillary ligand scaffolds is essential in the pursuit of higher nuclearity rare earth metal clusters that are relevant in storage materials and catalysis. Guanidinate anions represent attractive ligands due to their high degree of customizability allowing for facile alterations of both their steric and electronic properties. Here, we demonstrate an unprecedented bridge splitting reaction that shifts chloride anions in favor of a bridging neutral pyrazine to give pyrazine‐bridged dinuclear guanidinate rare earth complexes, [{(Me3Si)2NC(NiPr)2}2RECl]2(μ‐pyz) (RE =Y (1) and Er (2), pyz=pyrazine). Each six‐coordinate metal center is ligated by two guanidinates, one chloride ligand, and one nitrogen atom from the bridging pyrazine unit. The molecules were characterized by X‐ray crystallography, IR, NMR, and UV‐Vis spectroscopy. DFT calculations conducted on 1 provide insight into both the bonding picture and the mechanism of complex formation. This type of reaction constitutes a seminal application of a bridge splitting mechanism to the rare earth metals. [ABSTRACT FROM AUTHOR]

A macrocyclic azobenzene with unique thermal stability, demonstrating potential for use in optical data storage material is presented: The Z‐isomer of this novel photoswitch exhibits unparalleled thermal stability, with a thermal half‐life surpassing 120 years at 25 °C. This stability is attributed to the strategic fluorination at two ortho‐ and both para‐positions. Comparative analyses involving its non‐fluorinated counterpart, ortho‐only‐fluorinated variant, and open‐chain analog are performed. Employing NMR and UV–vis spectroscopy, X‐ray diffraction, alongside Arrhenius, Eyring, and DFT calculations, revealed insights into its extraordinary stability. Furthermore, when incorporated into poly(methylmethacrylate), this material showcase efficient switching with visible light in the solid state, emphasizing its potential for optical data storage applications. [ABSTRACT FROM AUTHOR]

A series of rigid polystyrene‐based photoelastomers, named sty‐PM‐x, with bionic catechol pendants were synthesized through atom transfer radical polymerization (ATRP) and deprotection techniques. These polymers were characterized using nuclear magnetic resonance spectroscopy, gel permeation chromatography, and thermogravimetric analysis. Additionally, photophysical properties of the polymers were investigated using UV‐visible absorption spectroscopy and fluorescence emission spectroscopy. Mechanical properties were evaluated through tensile tests, while interfacial adhesion was determined through cross‐cut tests. Experimental results reveal that photoelastomers, sty‐PM‐x, exhibit excellent photophysical properties, stretchability, and interfacial adhesion. This discovery provides a new perspective for the preparation of stretchable organic electroluminescent materials. [ABSTRACT FROM AUTHOR]

In this paper, we have examined eight new first‐row transition metal complexes (1–8). Mutli‐donor ligands based on barbituric and thiobarbituric acids were used in complexation reactions. The synthesized complexes were analyzed using FT‐IR and UV–vis spectroscopy, elemental (CHN) analysis, and single‐crystal X‐ray diffraction analysis. These complexes exhibited significant urease enzyme inhibition with IC50 values in the range of 13.73 ± 1.08–43.21 ± 1.50 μM. We observed excellent binding orientation of these complexes in the active site of Urease. The molecular docking results correlate well with in vitro observations. [ABSTRACT FROM AUTHOR]

Herein, the Polyvinyl pyrrolidone (PVP)‐assisted CdS/PbI2 heterojunction UV–visible photodetector is constructed by the sol–gel spin coating method. The X‐ray diffraction, scanning electron microscopy, and energy dispersive spectrometer demonstrate the synthesis and successful complexation of PVP, CdS, and PbI2. The UV–visible absorption spectroscopy and UV photoelectron spectroscopy measurements of CdS and PbI2 are carried out to prove that the CdS and PbI2 form a type II heterojunction. Compared with pure CdS film photodetector, the CdS (PVP)/PbI2 heterojunction photodetector has self‐powered characteristics, and exhibits excellent photoconductivity in the UV–visible with higher switching ratios, detection rates, and faster response times of 1.1 × 105, 9.77 × 1011 Jones, and 20 ms, respectively, which has great potential in the field of UV–visible self‐powered photodetector. [ABSTRACT FROM AUTHOR]

The synthesis and structural characterization of three families of coordination complexes synthesized from 4′‐phenyl‐2,2′:6′,2′′‐terpyridine (8, Ph‐TPY), 4′‐(4‐chlorophenyl)‐2,2′:6′,2′′‐terpyridine (9, ClPh‐TPY) and 4′‐(4‐methoxyphenyl)‐2,2′:6′,2′′‐terpyridine (10, MeOPh‐TPY) ligands with the divalent metals Co2+, Fe2+, Mn2+ and Ni2+ are reported. The compounds were synthesized from a 1:2 mixture of the metal and ligand, resulting in a series of complexes with the general formula [M(R‐TPY)2](ClO4)2 (where M = Co2+, Fe2+, Mn2+ and Ni2+, and R‐TPY = Ph‐TPY, ClPh‐TPY and MeOPh‐TPY). The general formula and structural and supramolecular features were determinated by single‐crystal X‐ray diffraction for bis(4′‐phenyl‐2,2′:6′,2′′‐terpyridine)nickel(II) bis(perchlorate), [Ni(C21H15N3)2](ClO4)2 or [Ni(Ph‐TPY)2](ClO4)2, bis[4′‐(4‐methoxyphenyl)‐2,2′:6′,2′′‐terpyridine]manganese(II) bis(perchlorate), [Mn(C22H17N3O)2](ClO4)2 or [Mn(MeOPh‐TPY)2](ClO4)2, and bis(4′‐phenyl‐2,2′:6′,2′′‐terpyridine)manganese(II) bis(perchlorate), [Mn(C21H15N3)2](ClO4)2 or [Mn(Ph‐TPY)2](ClO4)2. In all three cases, the complexes present distorted octahedral coordination polyhedra and the crystal packing is determined mainly by weak C—H...π interactions. All the compounds (except for the Ni derivatives, for which FT–IR, UV–Vis and thermal analysis are reported) were fully characterized by spectroscopic (FT–IR, UV–Vis and NMR spectroscopy) and thermal (TGA–DSC, thermogravimetric analysis–differential scanning calorimetry) methods. [ABSTRACT FROM AUTHOR]

In this study, the best conditions for synthesizing the cobalt oxide nanofibers using the electrospinning method was investigated. For this purpose, the effect of various factors such as solvent, calcination temperature, and polymer concentration on the crystal structure, morphology, and size of the synthesized samples was evaluated. An extensive characterization of the products was performed using x‐ray diffractometry, scanning electron microscopy, ultraviolet‐visible spectroscopy, and photoluminescence. X‐ray diffractometry results of fabricated samples at different temperatures confirm cobalt oxide synthesis. Scanning electron microscopy analysis shows that the best fibers are synthesized from a polymer solution prepared at room temperature with a dual solvent of deionized water and ethanol under a calcination temperature of 600 °C. Also, some shifts were observed by examining the optical properties using ultraviolet‐visible and photoluminescence spectroscopy. These results show that the proper selection of reaction conditions in the electrospinning method can be very effective for the synthesis of cobalt oxide fibers with morphology in nanometer sizes. [ABSTRACT FROM AUTHOR]

In this paper, Zr:Dy:LiNbO3 crystals are prepared by traditional pull‐up method, in which Zr4+ doping concentrations are 0, 1, 2, and 4 mol%, respectively. In this paper, the defective structure of Zr:Dy:LiNbO3 crystals and their resistance to photodamage under different Zr4+ concentration doping are studied. Firstly, the influence of Zr4+ doping concentration on the defective structure of Zr:Dy:LiNbO3 crystal and the occupancy of doped ions under different Zr4+ concentrations are tested and discussed by infrared (IR) absorption spectroscopy and ultraviolet‐visible near‐infrared (UV–vis–NIR) absorption spectroscopy. The Judd–Ofelt theoretical analysis results show that when the concentration of doped Zr4+ is 2 mol%, the spectral quality factor (X) of Dy3+ in lithium niobate crystals is significantly improved compared with that of Dy3+ in other crystals. Secondly, resistance to photodamage of Zr:Dy:LiNbO3 crystals is studied and analyzed by the light scattering exposure energy flow threshold method. The results show that when the concentration of doped Zr4+ ions reaches 4 mol%, the exposure energy value is increased by 210 times compared with the no doping, which greatly improves the anti‐photodamage performance of the crystal. [ABSTRACT FROM AUTHOR]

Among the various nanoparticles, excessively paramagnetic iron oxide nanoparticles assume an outstanding job in biomedicine, mostly as Nano clinical imaging and treatment. These nanoparticles' effective working relies on superficial alteration utilizing different specialists. Among them, polyethylene glycol (PEG)—biocompatible polymer is primarily used attributable to its unmistakable qualities. In this examination, the impact of PEG covering on the counter bacterial and against proliferative properties of iron oxide nanoparticles has been considered. PEG‐covered nanoparticles were incorporated by co‐precipitation technique portrayed by UV–visible spectroscopy, Fourier change infrared spectroscopy, electron microscopy, X‐ray diffraction, and vibrating test magnetometer thinks about which uncovers exceptionally stable crystalline, circular, nanoparticles with high polarization impact. Hostile to the bacterial movement was examined against Staphylococcus aureus, and Pseudomonas aeruginosa uncovers PEGlated IONps displayed upgraded action against both tried endure lower fixations. A higher zone of restraint was construed from PEGlated IONps treatment. Hostile to proliferative activity was contemplated against the PC3 cell line (Prostate cancer). PEGlated IONps prompted the most extreme decrease in cell suitability and changed the cell design by chronicle fracture and build‐up of atomic material. PEGlated IONps treatment uncovered a high rate of receptive oxygen species (ROS), which brought about apoptosis or necrotic cell demise. The present discoveries suggest that PEGlated IONps synthesized in this examination could be utilized as potential bioactive operators against medication‐safe pathogenic bacterial strains and malignant growth cells. [ABSTRACT FROM AUTHOR]

Hydrophobic self‐cleaning surfaces exhibit low surface energy. The low surface interaction allows the water droplets to roll off easily. In this work, transparent hydrophobic coating was fabricated using precursors Polydimethylsiloxane (PDMS), Isobutyltriethoxysilane (iTES), and Pluronic F127 (PF‐127), as pore generator. PDMS/PF‐127 and iTES/PF‐127 composite films were fabricated by acid catalyzed sol gel technique. UV‐visible spectroscopy analysis revealed enhancement of optical transparency by 3% for PDMS/PF‐127 than iTES/PF‐127 composite surface. Transparency of PDMS/PF‐127 was maintained throughout visible region proving film stability. Porous nature was confirmed by Field Emission Scanning Electron Microscopy analysis. Water contact angle of 107° for PDMS/PF‐127 and 103° for iTES/PF‐127 was obtained. 3D laser profilometery analysis revealed PDMS/PF‐127 coated surface was rougher than iTES/PF‐127 composite film. Sand particles sprinkled on coated surface buckled upon contact with water, exhibiting self‐cleaning ability. [ABSTRACT FROM AUTHOR]

Understanding the intricate interplay between proteins and ligands is pivotal for rational drug development. This study investigates the binding of Ofloxacin to Hb using diverse biophysical techniques: fluorescence spectroscopy, UV‐visible spectroscopy, molecular docking, molecular dynamics simulations, and electrochemical analysis. Spectrophotometric data confirm a static quenching mechanism in ofloxacin‐Hb binding. Notably, ofloxacin‐Hb binding exhibits a significant change in free energy (−17.134 kJ/mol) and strong affinity via molecular docking was also observed (−8.2 kcal/mol). Molecular dynamics simulations validated these results, showing a change in free energy of −91.093 kJ/mol with minimal error of 13.508 kJ/mol, supporting a plausible interaction. Additionally, cyclic voltammetry elucidated dynamic interactions between Hb and ofloxacin. This comprehensive approach provides insights into drug‐protein binding dynamics, crucial for refining drug development strategies. [ABSTRACT FROM AUTHOR]

The evolution of multifunctional materials is an outstanding research area, which aims to improve the versatility of materials according to their broad domains of usage. Focus interest was paid here to the orthophosphate compound, in particular, the olivine NaMnPO4 material. This compound was synthesized by a solid‐state method and investigated using numerous techniques. Primary room‐temperature structural analysis evidences the sample synthesized in the orthorhombic structure and its phase purity. The sample's average grain size was calculated to be around 420 nm. Further, the band gap for our material was found to be (Eg=4.4 eV) by optical analysis of UV‐visible spectroscopy, revealing that our compound is a potential candidate for optoelectronic applications. The electrical behavior study's main results confirm the ferroelectric character of the sample and support the aim of deepening the knowledge of the material according to its thermally stimulated conduction processes through impedance spectroscopy. Electrical studies revealed the dominant transport processes across various temperature and frequency ranges, leading to the NSPT model. The frequency dependency relates to frequency‐dispersive dielectric spectra, conduction mechanisms, and relaxation phenomena. The obtained results show perspective and suggest that the material under study has a wide range of potential electronic applications. [ABSTRACT FROM AUTHOR]

The evolution of multifunctional materials is an outstanding research area, which aims to improve the versatility of materials according to their broad domains of usage. Focus interest was paid here to the orthophosphate compound, in particular, the olivine NaMnPO4 material. This compound was synthesized by a solid‐state method and investigated using numerous techniques. Primary room‐temperature structural analysis evidences the sample synthesized in the orthorhombic structure and its phase purity. The sample's average grain size was calculated to be around 420 nm. Further, the band gap for our material was found to be (Eg=4.4 eV) by optical analysis of UV‐visible spectroscopy, revealing that our compound is a potential candidate for optoelectronic applications. The electrical behavior study's main results confirm the ferroelectric character of the sample and support the aim of deepening the knowledge of the material according to its thermally stimulated conduction processes through impedance spectroscopy. Electrical studies revealed the dominant transport processes across various temperature and frequency ranges, leading to the NSPT model. The frequency dependency relates to frequency‐dispersive dielectric spectra, conduction mechanisms, and relaxation phenomena. The obtained results show perspective and suggest that the material under study has a wide range of potential electronic applications. [ABSTRACT FROM AUTHOR]

Knowing the diffusion coefficients of antioxidants in packaging materials is essential to assess their effectiveness in protecting materials against oxidation, but also to prevent their eventual migration to food. In this work, the diffusion of a commercial phenolic antioxidant (Irganox 1035) was measured experimentally in pristine high‐density polyethylene (HDPE) and in HDPE nanocomposite filled with 3 wt% of nanoclays (Cloisite® 15A). Diffusion experiments were performed using the Roe's method between 60 and 100°C. The local concentration of Irganox1035 in each film was measured by UV–Vis spectroscopy from the UV absorbance at 282 nm. The adjustment of the experimental data by Fick's second law allowed us to deduce the values of the diffusion coefficient of Irganox1035 at each temperature and to show that the temperature dependence of this coefficient obeys an Arrhenius' law. It is shown that the incorporation of 3 wt% of Cloisite®15A into HDPE significantly hinders the diffusion of Irganox 1035 and increases its activation energy. Several mechanistic assumptions could explain this result, first the increase in the tortuosity of diffusion paths, but also the possible establishment of strong intermolecular interactions between the antioxidant and some chemical groups on the nanofiller surface, or even the formation of an interphase with reduced molecular mobility around the nanofillers. [ABSTRACT FROM AUTHOR]

The synthesis and extensive characterization of nine aryl sulfur diimides (SDIs, Ar−NSN−Ar) are presented with a robust computational and experimental investigation of the fundamental properties of these important members of the thiazyl family of compounds, with particular attention paid to their highly tunable electrochemical behaviour. This is the first work to undertake a systematic comparison of the electrochemical profiles of a coherent series of SDIs to demonstrate and quantify the response of their reduction potentials to substituent electron‐donating and ‐withdrawing properties. This effect is found to be not only exceptionally strong, but also correlates very closely with computed orbital energies. Electron paramagnetic resonance spectroscopy is used to determine the nature, localization, and qualitative lifetimes of the radical anions of SDIs. This work also addresses significant misconceptions about physical properties of SDIs. Experimental data and modern computational methods are employed to provide a resolute answer to the long‐standing contention of the solution‐state conformations of SDIs, and to correct historical mistakes in the assignment of infrared spectroscopic data. High‐quality crystal structures of all SDIs in this work showcase the utility of the recently introduced structural refinement software NoSpherA2, enabling full anisotropic refinement of H‐atoms with accurate C−H bond lengths. [ABSTRACT FROM AUTHOR]

Deprotonation of our pentadentate N‐Heterocyclic Carbene (NHC) ligand with lithium diisopropylamine in tetrahydrofuran and subsequent salt metathesis with CrCl3THF3 readily forms the complex PhCC4MeCrCl (1), a S=3/2 species in moderate yield. DFT calculations reveal three singly occupied molecular orbitals with π‐backbonding character to the square‐capping framework, UV‐Vis spectroscopy reveals 3 bands ascribed to d‐to‐d transitions, and cyclic voltammetry reveals an irreversible and quazi‐reversible reduction events as well as an irreversible oxidation event. We attempted to exchange the chloride ligand of 1 through salt‐metathesis with lithium phenylacetylide without success, the absence of reactivity is rationalized considering our XRD and DFT results. [ABSTRACT FROM AUTHOR]

The coordination capability of two N,C,N pincer coordinated stibinidenes, i. e. bis(imino)‐ [2,6‐(DippN=CH)2C6H3]Sb (1) or imino‐amino‐ [2‐(DippN=CH)‐6‐(DippNHCH2)C6H3]Sb (2) toward palladium(II) and platinum(II) centers was examined. In the course of this study, seven new square‐planar bis(stibinidene) complexes were synthesized and characterized by NMR, IR, Raman, UV‐vis spectroscopy and single crystal (sc)‐X‐ray diffraction analysis. In all cases, both stibinidene ligands 1 or 2 adopt trans positions, but differ significantly in the torsion angle describing mutual orientation of aromatic rings of the stibinidenes along the Sb−Pd/Pt−Sb axes. Furthermore, majority of complexes form isomers in solution most probably due to a hindered rotation around Sb−Pd/Pt bonds caused by bulkiness of 1 and 2. This phenomenon also seems to be influenced by the absence/presence of a pendant −CH2NH− group in 1/2 that is able to form intramolecular hydrogen bonds with the adjacent chlorine atom(s) attached to the metal centers. The whole problem was subjected to a theoretical study focusing on the role of hydrogen bonds in structure architecture of the complexes. To describe the UV‐vis spectra of these highly coloured complexes, TD‐DFT calculations were employed. These outline differences between the stibinidene ligands, the transition metals as well as between the charge of the complexes (neutral or anionic). [ABSTRACT FROM AUTHOR]

Diarsene [L(MeO)GaAs]2 (L=HC[C(Me)N(Ar)]2, Ar=2,6‐iPr2C6H3, 4) reacts with MeOTf and MeNHC (MeNHC=1,3,4,5‐tetra‐methylimidazol‐2‐ylidene) to the diarsene [L(TfO)GaAs]2 (5) and the carbene‐coordinated diarsene [L(MeO)GaAsAs(MeNHC)Ga(OMe)L] (6). The NHC‐coordination results in an inversion of the redox properties of the diarsene 4, which shows only a reversible reduction event at E1/2=−2.06 V vs Fc0/+1, whereas the carbene‐coordinated diarsene 6 shows a reversible oxidation event at E1/2=−1.31 V vs Fc0/+1. Single electron transfer reactions of 4 and 6 yielded [K[2.2.2.]cryp][L(MeO)GaAs]2 (8) and [L(MeO)GaAsAs(MeNHC)‐Ga(OMe)L][B(C6F5)4] (9) containing the radical anion [L(MeO)GaAs]2⋅− (8⋅−) and the NHC‐coordinated radical cation [L(MeO)GaAsAs(MeNHC)Ga(OMe)L]⋅+ (9⋅+), respectively, while the salt‐elimination reaction of the triflate‐coordinated diarsene 5 with Na[B(C6F5)4] gave [LGaAs]2[B(C6F5)4]2 (11) containing the dication [LGaAs]22+ (112+). Compounds 1–11 were characterized by 1H and 13C NMR, EPR (8, 9), IR, and UV‐Vis spectroscopy and by single crystal X‐ray diffraction (sc‐XRD). DFT calculations provided a detailed understanding of the electronic nature of the diarsenes (4, 6) and the radical ions (8⋅−, 9⋅+), respectively. [ABSTRACT FROM AUTHOR]

Linear alpha olefins (LAOs) are produced industrially via ethylene oligomerization using catalytic methods. The cost‐effective separation process has sparked significant interest in the selective oligomerization of ethylene to produce alpha‐olefins, including 1‐hexene (1‐C6), in multi‐product commercial processes. In addition, the utilization of immobilized catalysts is crucial because of their reduced environmental impact, ease of catalyst separation, recyclability, and transportability. Furthermore, the use of immobilized catalysts simplifies the purification process, making it easier to isolate pure products. In the present study, mesoporous silica (MS) was first modified with ionic liquids (ILs) consisting BF4− and Br− counter‐anions to prepare IL‐BF4@MS and IL‐Br@MS, respectively. Then 12 catalysts were synthesized through immobilization of the half‐sandwich catalysts with different bridges on the surface of MS, IL‐Br@MS, and IL‐BF4@MS and characterized by BET, TGA, and SEM–EDX‐Mapping analyses. UV–Visible spectroscopy showed a tetrahedral structure for the synthesized complexes. The activity and selectivity of the catalysts for the production of 1‐hexene were studied under specific conditions, including an ethylene pressure of 8 bar, a temperature of 40 °C, and an Al/Ti ratio of 1:2000. The C1‐IL‐BF4@MS immobilized catalyst with cyclohexane middle bridge immobilized on MS modified with IL‐BF4 revealed the highest activity (1199 kg 1‐C6 molTi−1·h−1) at a catalyst concentration of 1.5 μmol. The lowest activity (138 kg 1‐C molTi−1·h−1) was obtained for both C3@MS and C4@MS catalysts. [ABSTRACT FROM AUTHOR]

Iodine is a promising candidate among the cathode materials in zinc‐ion battery. However, iodine cathode suffers from serious shuttle effect by spontaneous generated polyiodide species. In this work, we developed a CoNi(CN)4/CNT interlayer to prevent shuttle effect by adsorption‐catalysis process. The adsorption of the iodine species on CoNi(CN)4/CNT interlayer is justified by UV‐vis spectroscopy and X‐ray photoelectron spectroscopy, where the concentration of polyiodides is significantly reduced, and the binding energy of cobalt, nickel, and nitrogen is remarkably reduced by binding with polyiodides. The zinc‐iodine dual‐plating battery shows significantly higher areal capacity and cycle stability with CoNi(CN)4/CNT. Moreover, battery with impressive areal capacity of 3.6 mAh cm−2 and negligible fading over 100 cycles is also achieved, which outperforms state‐of the art literatures on zinc‐iodine batteries. [ABSTRACT FROM AUTHOR]

The hybrid nanoparticles of nickel and copper oxide are optimized by varying synthetic conditions such as precursor salt concentration, rate of reagent addition, pH, and temperature. The resulting nanoparticles are characterized by using UV‐Visible and fluorescence spectroscopy, hydrodynamic size, zeta potential, polydispersity index, SEM, EDX, XRD, and FTIR spectroscopy. The control over composition and physical properties of these hybrid oxides are analyzed through careful variations in the synthetic parameters. UV‐Vis analysis demonstrated the successful synthesis of NiO‐CuO hybrid nanoparticles at various concentrations. NiO dominant hybrids are obtained by quick addition of the reagent and at higher pH, while CuO dominant hybrids require slower addition of reagent and lower pH. The increase in the temperature causes a hypochromic shift in the UV‐Vis absorption, whereas fluorescence is enhanced with increase in the CuO concentration. The fluorescence generally remained stable by varying time of reagent addition, pH, and temperature. More stable and least‐sized NiO‐CuO hybrid nanoparticles are obtained at ratios of 75 : 25 and 25 : 75, by quick addition of reagent, at higher pH levels, and at higher temperatures. A better understanding of their physical and optical properties obtained by varying synthetic parameters may potentially result in their enhanced applications. [ABSTRACT FROM AUTHOR]

Several strategies are available to design well‐defined multimetallic molecular entities bearing functional ligands. Substoichiometric exchange reactions in the coordination sphere of pre‐existing multinuclear precursors are relatively underexploited in this context. Palladium(II) acetate is not a mononuclear compound in the solid state but rather exists as a trimer, i. e. [Pd3(OAc)6]. Although this material is ubiquitously used to synthesize mononuclear Pd species, it may principally also lend itself to selective exchange of some of the edge‐sharing acetate units in its triangular motif, whilst keeping the overall multinuclear architecture intact. Strikingly, little is known about the controlled manipulation and substoichiometric substitution chemistry of this well‐defined conglomerate. We herein conclusively demonstrate that, for the first time, the targeted exchange of two or four acetate units from the Pd3(acetate)6 platform is possible, thereby installing either one or two new tridentate ligands onto this trinuclear architecture. Follow‐up exchange and substitution chemistry is available without disrupting the multimetallic nature of the core structure. New complexes 2–7 are all conclusively characterized using multinuclear NMR spectroscopy, UV‐vis and IR spectroscopy as well as X‐ray diffraction analysis. [ABSTRACT FROM AUTHOR]

Nanoparticles (NPs) are the essential building block of nanotechnology; they have a wide range of biomedical applications. In comparison with chemical methods, green synthesis is significant because of their non‐toxicity, eco‐friendliness, and simplicity; thus, the plant extracts are useful in the biogenic synthesis of NPs. In this study, Heliotropium eichwaldi‐induced gold NPs (HE‐AuNPs) were produced. These HE‐AuNPs were afterward examined using UV–vis spectroscopy, FTIR, SEM, XRD, and EDX analysis. The XRD analysis authorized the crystalline structure of AuNPs with an average size of 11.11 nm for four peaks (38.31°, 44.39°, 64.76°, and 77.65°), the SEM analysis displayed the elongated sphere‐shaped morphologies of HE‐AuNPs with 20 nm size, and the EDX analysis revealed that Au (44.33%) was the main element of AuNP. The FTIR analysis confirmed the presence of various coating and reducing organic molecules. In comparison with HE extract and hydrogen tetrachloroaurate (III) trihydrate (HAuCl4.3H2O) solution, the AuNPs showed outstanding inhibitory activity against free radicals, ‐amylase, and AChE. Our work suggests the successful generation of HE‐AuNPs, subsequently significant antioxidant, antidiabetic, and anti‐Alzheimer agents. However, further study is suggested to minimize potential risks. [ABSTRACT FROM AUTHOR]

In this study, a novel electrodeposition of poly(2,4,6‐trihydroxybenzaldehyde) on bare glassy carbon electrode for dopamine detection was reported. 2,4,6‐trihydroxybenzaldehyde and the electrodeposited poly(2,4,6‐trihydroxybenzaldehyde) were characterized using Fourier transform‐infrared spectroscopy, UV‐visible spectroscopy, and scanning electron microscopy. The bare electrode modified with the optimum amount of 2,4,6‐trihydroxybenzaldehyde (PTGCE) was used for dopamine electroanalysis. The linear dynamic range and the limit of detection of DA at PTGCE were 0.70‐19.48 μM and 19.48–53.30 μM, and 0.64 μM, respectively. The modified electrode showed outstanding discriminatory dopamine detection in the presence of uric acid and ascorbic acid due to a dopamine‐uric acid and a dopamine‐ascorbic acid peak‐to‐peak separation of 160 mV and 200 mV, respectively. The proposed sensor showed considerable reproducibility of dopamine current response and excellent % dopamine recovery of 99.70 % from the real sample solution. [ABSTRACT FROM AUTHOR]

Ultrafine polyamide/polyurethane synthetic leather (UP/PSL), with a highly natural leather‐like appearance and touch, is widely used in many leather commodities. Generally, acid dyes, which are mostly used for dyeing UP/PSL, exhibit poor colour fastness. While, reactive dyes are well‐known for their good colour fastness. However, reactive dyes are not used to dye UP/PSL because they are water‐soluble and cannot stain the polyurethane (PU) in UP/PSL. In this study, five low water‐soluble reactive dyes with good affinity for both polyamide (PA) and PU were synthesised and characterised using ultraviolet‐visible and infrared spectroscopy, and mass spectrometry. All low‐water‐soluble reactive dyes were monoazo dyes with only one sulfonic group and two different functional groups. The reactive dyes were used to dye UP/PSL at 98°C and fixed at 90°C with 7‐azatridecane‐1,13‐diamine as a crosslinking agent. For comparison, Eriofast Red‐2B (ER‐2B) was used to dye UP/PSL using a special dyeing procedure. ER‐2B showed severe issues related to low utilisation and uneven dyeing, whereas the five low water‐soluble reactive dyes exhibited better performance than ER‐2B. Both the exhaustion and fixation of dyes 1 and 4 exceeded 90.0% when the dosage was less than 3.0% owf (on weight of fabric). In addition, they exhibited good levelling. The washing fastness of the five reactive dyes was excellent and higher than grade 4. The dry rubbing fastness was higher than grade 3‐4. Therefore, UP/PSL can be satisfactorily dyed using the reactive dyes with a solubility of less than 1.0 g/L and meet the requirements of daily life applications. [ABSTRACT FROM AUTHOR]

It is essential to remove thiamethoxam (THMX) from surface water as it negatively impacts the ecology and neurological systems of insects. Hence, a study was conducted to degrade THMX with different compositions of LaFeO3/g‐C3N4 (LFCN) composites. Several methods, including X‐ray powder diffraction (XRD), ultraviolet–visible spectroscopy (UV–Vis), X‐ray photoelectron spectroscopy (XPS), Brunauer–Emmett–Teller (BET), and field emission scanning electron microscopy (FESEM), were applied to characterize the synthesized photocatalyst. The influence of many parameters on degradation, for example, THMX concentration, dosage of catalyst, and pH were studied experimentally. The degradation was highest under both UV‐C and sunlight for the synthesized catalyst, 1% LaFeO3/g‐C3N4 (LFCN1), in comparison to graphitic carbon nitride (g‐CN), and bare lanthanum ferrite (LF). The degradation was around 95% for LFCN1 under UV‐C light having an intensity of 15 W/m2 whereas degradation was 71.8% with LFCN1 photocatalyst under sunlight at neutral pH in 120 min of reaction time. The increased activity of LFCN1 was attributable to an improved surface area and a lower band gap. The study of reaction kinetics indicated second‐order behaviour. Additionally, a probable mechanism for degradation was put forth. [ABSTRACT FROM AUTHOR]

A total of 10 benzopyrylium salts, 7 being novel, were synthesized by Claisen‐Schmidt condensation reaction and characterized by 1H and 13C NMR, High‐Resolution Mass Spectrometry, FT‐IR, and UV‐Vis spectroscopy. The purity of these synthesized compounds was determined by HPLC. The in‐vitro anti‐cancer evaluation of these synthesized benzopyrylium salts was done at National Cancer Institute (NCI), USA, against 60 human cancer cell lines. The compounds 4 and 8 showed promising anti‐cancer activities against various human cancer cell lines. The docking studies of the compounds were carried out against the oncogenic target JNK and their docking scores were compared to that of the known JNK inhibitor SP600125 (Pyrazolanthrone). Compound 4 exhibited an outstanding docking score of −9.0 kcal/mol, comparable to the docking score of SP600125 (−9.3 kcal/mol). The ex‐vivo studies in the hind‐gut of Drosophila were carried out and the inhibitory activity of compound 4 supported the findings of the docking studies. Furthermore, the potent compounds 4 and 8 were taken up for their in‐vivo anti‐cancer evaluation in the colorectal cancer model (CRC) of Drosophila melanogaster. The toxicity studies of these potent compounds were carried out both in wild type and mutant type Drosophila and the lethal doses were determined to be 200 μM. [ABSTRACT FROM AUTHOR]

A novel and sustainable approach has been developed for the synthesis of β‐brominated Mn porphyrins, [MnIII(Br)(TPPBr4)] (2), [MnIII(Br)(TPPBr6)] (3) and [MnIV(Br)2(TPPBr8)] (4) by self catalytic haloperoxidase mimicking activity of [MnIII(Br)(TPP)] [bromo(meso‐tetraphenylporphyrinato)manganese(III)] (1) in aqueous medium under different mild and controlled reaction conditions. By precisely tweaking important parameters (e. g. H2O2, HClO4 and KBr), these polybrominated porphyrin complexes have been synthesized. This method is safer and applicable under milder reaction conditions than the conventional procedures for β‐bromination of porphyrins. These complexes were characterized by various spectroscopic techniques, including UV–Vis spectroscopy, elemental analysis, MALDI‐TOF mass spectrometry, cyclic voltammetry, DFT calculations and single crystal X‐ray diffraction analysis. Bromination of various phenol derivatives via haloperoxidase‐catalyzed reaction using these manganese complexes has been explored. Carrying out the catalytic reaction at room temperature in the presence of H2O2 as an oxidant and KBr as a brominating agent in a mild aqueous acidic condition results in good to excellent yield of the brominated product(s). Extra stability of 4 compared to other catalysts due to trans‐[Br−MnIV−Br] structure possibly prevents the interaction of Mn with oxidant which makes it less potential catalyst compared to 1, 2 and 3. Suitable catalytic reaction mechanism has been proposed for the bromination of substrates after identifying the reaction intermediates using mass spectrometry. [ABSTRACT FROM AUTHOR]

Polyethylene glycol (PEG) exhibits poor residence on mucosal membranes in the presence of biological fluid, and the influence of PEG boronation on its properties has never been investigated. This project aimed to synthesise boronated 4‐arm PEG and evaluate their pH stability, thermal properties and mucoadhesiveness for potential transmucosal applications. Two types of boronated 4‐armed PEG (B4PEG1 & B4PEG2) and a boronated linear PEG (BLPEG) were synthesized. The degree of boronation, mucoadhesiveness, thermal and pH stability of the polymers were assessed using 1H NMR spectroscopy, viscometry, thermogravimetric analysis and UV–visible spectroscopy, respectively. Gel Permeation Chromatography was employed to confirm PEG boronation. The respective degrees of boronation for B4PEG1 and B4PEG2 were 32.8 % and 46.2 %. The molecular architecture and degree of PEG boronation had a remarkable influence on mucoadhesiveness, pH, and thermal stability. B4PEG2, with a branched architecture and the greatest degree of boronation, exhibited superior mucoadhesiveness and colloidal stability at pH 4 to 8, relative to B4PEG1 and BLPEG. Boronation improved the thermal stability of 4‐arm PEG. This study is the first to demonstrate that PEG boronation could enhance the pH‐sensitivity, thermal stability and mucoadhesiveness of 4‐arm PEG. Boronated 4‐arm PEGs could serve as mucoadhesive polymeric excipients for transmucosal drug delivery. [ABSTRACT FROM AUTHOR]