Efficient Zinc Vanadate Homojunction with Cadmium Nanostructures for Photocatalytic Water Splitting and Hydrogen Evolution.

Construction of a homojunction is an effective strategy for effective charge transfer to suppress charge carrier recombination in augmented photocatalysis. The present work reveals the synthesis of homojunction formation through the reinforcement of Cd nanostructures into a solid lattice of zinc vanadate (Zn3V2O8, ZnV) using the hydrothermal method. The formation of a homojunction between cadmium vanadate (CdV, Cd3V2O8) and ZnV was confirmed by various spectroscopic and electron microscopic techniques such as Fourier-transform infrared (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM) associated with energy-dispersive X-ray (EDX) mapping, transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), and ultraviolet-visible spectrophotometry (UV-Vis). The synthesized material was explored for photocatalytic hydrogen (PC H2) production using the water splitting process under visible-light illumination. The spectroscopic and experimental results revealed that the formation of a CdV/ZnV homojunction significantly improved the transport of photogenerated charge carriers (electron-hole pairs) and thus resulted in enhanced H2 production efficiency (366.34 µmol g-1 h-1) as compared to pristine ZnV (229.09 µmol g-1 h-1) and CdV (274.91 µmol g-1 h-1) using methanol as a sacrificial reagent (SR) with water under visible-light illumination. The synergistic effect of Cd on ZnV NPs resulted in band gap reduction and broadened visible light absorption which was attributed to enhanced H2 production. The current study explains how a homojunction affects various features of important factors behind photocatalytic activity, which supports significant insights into the advancement of materials in the future.

Identification of bioactive compounds of Zanthoxylum armatum as potential inhibitor of pyruvate kinase M2 (PKM2): Computational and virtual screening approaches.

PKM2 (Pyruvate kinase M2) is the isoform of pyruvate kinase which is known to catalyse the last step of glycolysis that is responsible for energy production. This specific isoform is known to be highly expressed in certain cancerous conditions. Considering the role of this protein in various cancer conditions, we used PKM2 as a target protein to identify the potential compounds against this target. In this study, we have examined 96 compounds of Zanthoxylum armatum using an array of computational and in silico tools. The compounds were assessed for toxicity then their anticancer potential was predicted. The virtual screening was done with molecular docking followed by a detailed examination using molecular dynamics simulation. The majority of the compounds showed a higher probability of being antineoplastic. Based on toxicity, predicted anticancer potential, binding affinity, and binding site, three compounds (nevadensin, asarinin, and kaempferol) were selected as hit compounds. The binding energy of these compounds with PKM2 ranged from -7.7 to -8.3 kcal/mol and all hit compounds interact at the active site of the protein. The selected hit compounds formed a stable complex with PKM2 when simulated under physiological conditions. The dynamic analysis showed that these compounds remained attached to the active site till the completion of molecular simulation. MM-PBSA analysis showed that nevadensin exhibited a higher affinity towards PKM2 compared to asarinin and kaempferol. These compounds need to be assessed properties in vivo and in vitro to validate their efficacy.

Exploring optical, electrochemical, thermal, and theoretical aspects of simple carbazole-derived organic dyes.

This study highlights the recent advancements in organic electronic materials and their potential for cost-effective optoelectronic devices. The investigation focuses on the molecular design, synthesis, and comprehensive analysis of two organic dyes, aiming to explore their suitability for optoelectronic applications. The dyes are strategically constructed with carbazole as the foundational structure, connecting two electron-withdrawing groups: barbituric acid (Cz-BA) and thiobarbituric acid (Cz-TBA). These dyes, featuring carbazole as the core and electron-withdrawing groups, demonstrate promising spectral, optical, electrochemical, thermal, and theoretical properties. They show strong potential for diverse optoelectronic applications, promising efficient light absorption and robust stability. The results endorse their suitability for practical optoelectronic systems.

Green Synthesis of ZnO/SnO2 Hybrid Nanocomposite for Degradation of Cationic and Anionic Dyes under Sunlight Radiation.

The aim of this work was to biosynthesize SnO2-decorated ZnO (ZT) nanocomposites (NCs) of different Sn content (10, 20, and 30 mol%), namely, ZT10, ZT20, and ZT30, using Olea europaea leaf aqueous extract-based phytocompounds as nanoparticle facilitating agents for application as effective photocatalyst in the removal of dyes from polluted water. The obtained ZT NCs were characterized using various techniques, including FTIR, XRD, TGA, TEM, EDS, UV-Vis, PL, and BET surface area. X-ray diffraction patterns show that rutile SnO2 and hexagonal ZnO coexist in the composites, and their crystallite size (D) is affected by the SnO2 ratio; the obtained D-values were 17.24, 19.07, 13.99, 6.45, and 12.30 nm for ZnO, SnO2, ZT10, ZT20, and ZT30, respectively. The direct band gaps of the ZT heterostructure increase with increasing SnO2 ratio (band gap = 3.10, 3.45, 3.14, 3.17, and 3.21 eV, respectively). TEM spectroscopy revealed nanorod and spherical grain morphologies of the composites, while EDS confirmed the elemental composition, the element ratio, and the composite's purity. All catalysts exhibit type III isotherm with macropore structure. The photocatalytic efficiency against cationic (methylene blue (MB), rhodamine B (RB)), and anionic (methyl orange (MO)) dyes, under sunlight, was optimal with ZT20. The results revealed almost complete degradation at 55, 65, and 55 min, respectively. Hence, it is evident that incorporating SnO2 improves the photocatalyst's performance, with an apparent optimal enhancement at 20 mol% Sn decorating ZT NCs. More interestingly, the catalyst stability and activity remained unaffected even after four activating cycles.

Identification of anti-cancer organometallic compounds by inhibition of BCL-2/Bax interactions.

Apoptosis is regulated by the BCL-2 family, which includes the anti-apoptotic and pro-apoptotic proteins (Bax, Bok, Bak, etc.). These proteins often interact in dimers and act as apoptotic switches. Anti-apoptotic proteins, such as BCL-2, block the functions of these pro-apoptotic proteins. The pro-apoptotic and anti-apoptotic protein-protein interactions must be inhibited to prevent tumor cells from escaping apoptosis. This method has been used to develop anticancer drugs by inhibiting BCL-2 with both natural and synthetic compounds. Metal-containing compounds were used as pharmaceuticals for human cancer patients for a long time, and cisplatin was the first candidate of this class. Drug design, however, needs to pay more attention to metal complexes. We have studied the X-ray crystal structure of the BCL-2 protein in detail and identified the hydrophobic nature of the site with two less solvent-accessible sites. Based on the hydrophobic nature of the compounds, 74 organometallic compounds with X-ray crystallographically characterized bioactivity (including anticancer activity) were selected from the Cambridge crystallographic database. For testing, molecular docking was used to determine which compound was most effective against the BCL-2 protein. Organometallic compounds (benzene)-chloro-(1-{[(9H-fluoren-2-yl)imino]methyl}naphthalen-2-olato)-ruthenium (2), (1-((1,1'-biphenyl)-4-yl)-2,3,4,5-tetramethylcyclopentadienyl)-chloro-(4,4'-dimethyl-2,2'-bipyridine)-rhodium hexafluorophosphate (37), (µ-1,1'-(butane-1,4-diyl)bis(3-oxy-2-methylpyridin-4(1H)-one))-dichloro-bis(pentamethyl-cyclopentadienyl)-di-rhodium tetrahydrate (46), (µ-1,1'-(butane-1,4-diyl)bis(3-oxy-2-methylpyridin-4(1H)-one))-dichloro-bis(pentamethyl-cyclopentadienyl)-di-iridium (47) etc are found to be important compounds in this study. The capability of different types of complex interactions was identified using Hirshfeld surface analysis of the complexes. A NCI plot was conducted to understand the nature of the interaction between complex amino acids and active-site amino acids. A DFT study was conducted to examine the stability and chemical reactivity of the selected complexes. Using this study, one suitable hydrophobic lead anti-cancer organometallic pharmaceutical was found that binds at the less solvent-accessible hydrophobic site of BCL-2.

Lepidium sativum Seed Extract-Mediated Synthesis of Zinc Oxide Nanoparticles: Structural, Morphological, Optical, Hemolysis, and Antibacterial Studies.

Nanomaterials have unique physicochemical properties compared to their bulk counterparts. Besides, biologically synthesized nanoparticles (NPs) have proven superior to other methods. This work aimed to biosynthesize zinc oxide (ZnO) NPs using an aqueous extract of Lepidium sativum seed. The obtained ZnO NPs were characterized by X-ray diffraction, scanning electron microscopy, Fourier transform infrared, and ultraviolet-visible spectroscopy. The in vitro antibacterial activity of ZnO NPs against Gram-positive (S. aureus) and Gram-negative (E. coli) bacteria was assessed using the disk diffusion technique. The hemolytic impact was quantified spectrophotometrically. The results indicated a 24.2 nm crystallite size, a hexagonal structure phase, and a 3.48 eV optical bandgap. Antibacterial studies revealed a dose-dependent response with comparable activity to the standard drug (gentamicin) and higher activity against S. aureus than E. coli, e.g., the zone of inhibition at 120 mg/mL was 23 ± 1.25 and 16 ± 1.00 mm, respectively. The hemolysis assay showed no potential harm due to ZnO NPs toward red blood cells if utilized in low doses. As a result, it could be concluded that the reported biogenic method for synthesizing ZnO NPs is promising, resulting in hemocompatible NPs and comparable bactericidal agents.

Fabricated Gamma-Alumina-Supported Zinc Ferrite Catalyst for Solvent-Free Aerobic Oxidation of Cyclic Ethers to Lactones.

The aim of this work was to fabricate a new heterogeneous catalyst as zinc ferrite (ZF) supported on gamma-alumina (γ-Al2O3) for the conversion of cyclic ethers to the corresponding, more valuable lactones, using a solvent-free method and O2 as an oxidant. Hence, the ZF@γ-Al2O3 catalyst was prepared using a deposition-coprecipitation method, then characterized using TEM, SEM, EDS, TGA, FTIR, XRD, ICP, XPS, and BET surface area, and further applied for aerobic oxidation of cyclic ethers. The structural analysis indicated spherical, uniform ZF particles of 24 nm dispersed on the alumina support. Importantly, the incorporation of ZF into the support influenced its texture, i.e., the surface area and pore size were reduced while the pore diameter was increased. The product identification indicated lactone compound as the major product for saturated cyclic ether oxidation. For THF as a model reaction, it was found that the supported catalyst was 3.2 times more potent towards the oxidation of cyclic ethers than the unsupported one. Furthermore, the low reactivity of the six-membered ethers can be tackled by optimizing the oxidant pressure and the reaction time. In the case of unsaturated ethers, deep oxidation and polymerization reactions were competitive oxidations. Furthermore, it was found that the supported catalyst maintained good stability and catalytic activity, even after four cycles.

Biofabrication of Mg-doped ZnO nanostructures for hemolysis and antibacterial properties.

The aim of this work was to synthesize 0.02 and 0.06 Mg-doped ZnO nanoparticles (NPs) using the aqueous extract of Plectranthus barbatus leaf. The structural integrity of the hexagonal phase was emphasized by X-ray diffraction analysis. The average crystallite size (D) of 0.02 and 0.06 Mg-doped ZnO NPs was found to be 23.83 and 26.95 nm, respectively. The scanning electron microscope images revealed a surface morphology of irregular nano-shapes of about 83 nm diameter with an elongated one-dimensional structure. The hemolysis activity demonstrated the safe nature of the synthesized materials at low doses. Antibacterial activity against S. aureus and E. coli, which assessed using the disc diffusion method, indicated that the prepared NPs could inhibit S. aureus but not E. coli. These findings suggest that the synthesized NPs could be explored for potential applications in biotechnology and medicine.

Hydrothermal Synthesis of a Magnesium Vanadate-Functionalized Reduced Graphene Oxide Nanocomposite for an Efficient Photocatalytic Hydrogen Production.

Herein, we reported the fabrication of a magnesium vanadate-reduced graphene oxide (Mg3V2O8-rGO) composite. Further, the structural morphology of the as-prepared Mg3V2O8-rGO composite was studied by scanning electron microscopy. Powder X-ray diffraction and energy-dispersive X-ray spectroscopy techniques were also adopted to check the phase purity and elemental composition of the prepared Mg3V2O8-rGO composite. Mg3V2O8-rGO possesses a band gap of 2.98 eV, which prompted us to explore its photocatalytic activity for hydrogen (H2) evolution reaction. The Mg3V2O8-rGO composite demonstrated the generation of a reasonable amount of H2 evolution (97.45 µmol g-1), which is relatively higher than that of pristine Mg3V2O8 (17.45 µmol g-1). This may be attributed to the presence of synergism between Mg3V2O8 and rGO. In addition, Mg3V2O8-rGO also showed good stability and suggested its potential application for photocatalytic H2 evolution applications. So far, no report is available on the use of Mg3V2O8-rGO as a photocatalyst for H2 evolution. We propose the potential role of the Mg3V2O8-rGO composite for photocatalytic H2 evolution applications.

Quinoline- and Isoindoline-Integrated Polycyclic Compounds as Antioxidant, and Antidiabetic Agents Targeting the Dual Inhibition of α-Glycosidase and α-Amylase Enzymes.

Novel analogs of quinoline and isoindoline containing various heterocycles, such as tetrazole, triazole, pyrazole, and pyridine, were synthesized and characterized using FT-IR, NMR, and mass spectroscopy, and their antioxidant and antidiabetic activities were investigated. The previously synthesized compound 1 was utilized in conjugation with ketone-bearing tetrazole and isoindoline-1,3-dione to synthesize Schiff's bases 2 and 3. Furthermore, hydrazide 1 was treated with aryledines to provide pyrazoles 4a-c. Compound 5 was obtained by treating 1 with potassium thiocyanate, which was then cyclized in a basic solution to afford triazole 6. On the other hand, pyridine derivatives 7a-d and 8a-d were synthesized using 2-(4-acetylphenyl)isoindoline-1,3-dione via a one-pot condensation reaction with aryl aldehydes and active methylene compounds. From the antioxidant and antidiabetic studies, compound 7d showed significant antioxidant activity with an EC50 = 0.65, 0.52, and 0.93 mM in the free radical scavenging assays (DPPH, ABTS, and superoxide anion radicals). It also displayed noteworthy inhibitory activity against both enzymes α-glycosidase (IC50: 0.07 mM) and α-amylase (0.21 mM) compared to acarbose (0.09 mM α-glycosidase and 0.25 mM for α-amylase), and higher than in the other compounds. During in silico assays, compound 7d exhibited favorable binding affinities towards both α-glycosidase (-10.9 kcal/mol) and α-amylase (-9.0 kcal/mol) compared to acarbose (-8.6 kcal/mol for α-glycosidase and -6.0 kcal/mol for α-amylase). The stability of 7d was demonstrated by molecular dynamics simulations and estimations of the binding free energy throughout the simulation session (100 ns).

Efficient light-driven hydrogen evolution and azo dye degradation over the GdVO4@g-C3N4 heterostructure.

A straightforward hydrothermal technique was used for the synthesis of a g-C3N4/GdVO4 (CN/GdV) heterostructure as an alternate material for energy and environmental applications. X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS) were used to characterize the synthesized g-C3N4 (CN), GdVO4 (GdV), and the CN/GdV heterostructure. The characterization results revealed the distribution of GdV over CN sheets. The as-fabricated materials were tested for their capacity to evolve hydrogen gas and degrade two azo dyes (Amaranth; AMR and Reactive Red2; RR2) in the presence of visible light. When compared to pure CN and GdV, the efficiency of CN/GdV toward hydrogen evolution was high, with H2 evolution of 8234, 10 838, and 16 234 µmol g-1 in 4 h, respectively. The CN/GdV heterostructure was able to degrade 96% and 93% of AMR (60 min) and RR2 (80 min), respectively. The enhanced activity with CN/GdV could be attributed to the type-II heterostructure and decreased recombination of charge carriers. The intermediate analysis of AMR and RR2 degradation was conducted using mass spectrometry (MS). The mechanism of photocatalysis was investigated and is discussed based on the optical and electrochemical characterizations. The efficient photocatalytic characteristics of CN/GdV could promote further research on metal vanadate nanocomposite materials.

Activating the delivery of a model drug to lipid membrane by encapsulation of cyclodextrin: Combined experimental and molecular docking studies.

Drug delivery science is always an important topic as it studies the delivery of therapeutic payloads to the desired target cells without affecting the healthy tissues/cells, thus minimizing drug-induced toxicity. Aiming towards the targeted drug delivery, the present project deals with the delivery of a polarity-sensitive solvatochromic model drug, namely, salt of 8-anilinonaphthalene-1-sulphonic acid (ANSA) to the model bio-membrane (which mimic several aspects of the real cell membrane), more precisely at the lipid-water interface of L-α-Dipalmitoylphosphatidylcholine (DPPC) phospholipid. The drug delivery process has been activated through the binding of dye with cyclodextrin, acting as a drug transporter. Detailed steady-state and time-resolved spectroscopic studies including molecular docking analysis imply the targeted drug delivery of dye, ANSA, towards the lipid-water interface region of lipid bilayers through encapsulation within the cyclodextrin void. Stronger binding interaction of the dye with the lipid bilayers relative to ß-cyclodextrin (ß-CD) is the foremost reason for the targeted delivery. The present biophysical interaction studies of drug-lipid interaction, thus, may provide a cordial approach for drug formulation and drug delivery.

Multifunctional Zn(II) Coordination Polymer as Highly Selective Fluorescent Sensor and Adsorbent for Dyes.

A new Zn(II)-based coordination polymer (1) comprising the Schiff base ligand obtained by the condensation of 5-aminosalicylic acid and salicylaldehyde has been synthesized. This newly synthesized compound has been characterized by analytical and spectroscopic methods, and finally, by single-crystal X-ray diffraction technique in this study. The X-ray analysis reveals a distorted tetrahedral environment around the central Zn(II) center. This compound has been used as a sensitive and selective fluorescent sensor for acetone and Ag+ cations. The photoluminescence measurements indicate that in the presence of acetone, the emission intensity of 1 displays quenching at room temperature. However, other organic solvents caused meagre changes in the emission intensity of 1. Additionally, the fluorescence intensity of 1 has been examined in the presence of different ketones viz. cyclohexanone, 4-heptanone, and 5-nonanone, to assess the interaction between the C=O group of the ketones and the molecular framework of 1. Moreover, 1 displays a selective recognition of Ag+ in the aqueous medium by an enhancement in its fluorescence intensity, representing its high sensitivity for the detection of Ag+ ions in a water sample. Additionally, 1 displays the selective adsorption of cationic dyes (methylene blue and rhodamine B). Hence, 1 showcases its potential as an excellent luminescent probe to detect acetone, other ketones, and Ag+ with an exceptional selectivity, and displaying a selective adsorption of cationic dye molecules.

Antiproliferative Mechanisms of a Polyphenolic Combination of Kaempferol and Fisetin in Triple-Negative Breast Cancer Cells.

Herein, we investigate the combinatorial therapeutic effects of naturally occurring flavonoids kaempferol (K) and fisetin (F) on triple-negative breast cancer (TNBC: MDA-MB-231 cell line). Dose-dependent MTT assay results show that K and F exhibited cytotoxicity in MDA-MB-231 cells at 62 and 75 µM (IC50), respectively, after 24 h. However, combined K + F led to 40% and more than 50% TNBC cell death observed at 10 and 20 µM, respectively, which revealed the synergistic association of both. The combination of K and F was determined to be more effective in inhibiting cell viability than either of the agents alone. The morphological changes associated with significant apoptotic cell death were observed under a fluorescent microscope, strongly supporting the synergistic association between K and F. We also proposed that combining the effects of both polyphenols, as opposed to their individual effects, would increase their in vitro efficacy. Furthermore, we assessed the cell death pathway by the combinational treatment via reactive oxygen species-induced DNA damage and the mitochondrially mediated apoptotic pathway. This study reveals the prominent synergistic role of phytochemicals, which helps in elevating the therapeutic efficacy of dietary nutrients and that anticancer effects may be a result of nutrients that act in concert.

Influence of Eugenol and Its Novel Methacrylated Derivative on the Polymerization Degree of Resin-Based Composites.

The aim of this work was to assess the limiting rate of eugenol (Eg) and eugenyl-glycidyl methacrylate (EgGMA) at which the ideal degree of conversion (DC) of resin composites is achieved. For this, two series of experimental composites, containing, besides reinforcing silica and a photo-initiator system, either EgGMA or Eg molecules at 0-6.8 wt% per resin matrix, principally consisting of urethane dimethacrylate (50 wt% per composite), were prepared and denoted as UGx and UEx, where x refers to the EgGMA or Eg wt% in the composite, respectively. Disc-shaped specimens (5 × 1 mm) were fabricated, photocured for 60 s, and analyzed for their Fourier transform infrared spectra before and after curing. The results revealed concentration-dependent DC, increased from 56.70% (control; UG0 = UE0) to 63.87% and 65.06% for UG3.4 and UE0.4, respectively, then dramatically decreased with the concentration increase. The insufficiency in DC due to EgGMA and Eg incorporation, i.e., DC below the suggested clinical limit (>55%), was observed beyond UG3.4 and UE0.8. The mechanism behind such inhibition is still not fully determined; however, radicals generated by Eg may drive its free radical polymerization inhibitory activity, while the steric hindrance and reactivity of EgGMA express its traced effect at high percentages. Therefore, while Eg is a severe inhibitor for radical polymerization, EgGMA is safer and can be used to benefit resin-based composites when used at a low percentage per resin.

Quantum Computational, Spectroscopic (FT-IR, FT-Raman, NMR, and UV-Vis) Hirshfeld Surface and Molecular Docking-Dynamics Studies on 5-Hydroxymethyluracil (Monomer and Trimer).

For many decades, uracil has been an antineoplastic agent used in combination with tegafur to treat various human cancers, including breast, prostate, and liver cancer. Therefore, it is necessary to explore the molecular features of uracil and its derivatives. Herein, the molecule's 5-hydroxymethyluracil has been thoroughly characterized by NMR, UV-Vis, and FT-IR spectroscopy by means of experimental and theoretical analysis. Density functional theory (DFT) using the B3LYP method at 6-311++G(d,p) was computed to achieve the optimized geometric parameters of the molecule in the ground state. For further investigation and computation of the NLO, NBO, NHO analysis, and FMO, the improved geometrical parameters were utilized. The potential energy distribution was used to allocate the vibrational frequencies using the VEDA 4 program. The NBO study determined the relationship between the donor and acceptor. The molecule's charge distribution and reactive regions were highlighted using the MEP and Fukui functions. Maps of the hole and electron density distribution in the excited state were generated using the TD-DFT method and PCM solvent model in order to reveal electronic characteristics. The energies and diagrams for the lowest unoccupied molecular orbital (LUMO) and the highest occupied molecular orbital (HOMO) were also provided. The HOMO-LUMO band gap estimated the charge transport within the molecule. When examining the intermolecular interactions in 5-HMU, Hirshfeld surface analysis was used, and fingerprint plots were also produced. The molecular docking investigation involved docking 5-HMU with six different protein receptors. Molecular dynamic simulation has given a better idea of the binding of the ligand with protein.

Activated Carbon/ZnFe2O4 Nanocomposite Adsorbent for Efficient Removal of Crystal Violet Cationic Dye from Aqueous Solutions.

The aim of this study was to investigate the potential advantage of ZnFe2O4-incorporated activated carbon (ZFAC), fabricated via a simple wet homogenization, on the removal of cationic dye crystal violet (CV) from its aqueous solutions. The as-prepared ZFAC nanocomposite was characterized using Fourier transform infrared (FTIR), X-ray diffraction (XRD), nitrogen adsorption, scanning electron microscope (SEM), thermogravimetric analysis (TGA), and ultraviolet-visible (UV-Vis). Batch adsorption operating conditions such as the pH (3-11), CV concentration (25-200 ppm), ZFAC dose (10-50 mg), temperature (23-45 °C), and contact time were evaluated. The results indicate pH-dependent uptake (optimum at pH 7.2) increased with temperature and CV concentration increase and decreased as adsorbent dose increased. Modeling of experimental data revealed better fit to the Langmuir than Freundlich and Temkin isotherms, with maximum monolayer capacities (Qm) of 208.29, 234.03, and 246.19 mg/g at 23, 35, and 45 °C, respectively. Kinetic studies suggest pseudo-second order; however, the intra-particle diffusion model indicates a rate-limiting step controlled by film diffusion mechanism. Based on the thermodynamic parameters, the sorption is spontaneous (-ΔG°), endothermic (+ΔH°), and random process (+ΔS°), and their values support the physical adsorption mechanism. In addition to the ease of preparation, the results confirm the potential of ZFAC as a purifier for dye removal from polluted water.

Ternary Copper Tungsten Sulfide (Cu2WS4) Nanoparticles Obtained through a Solvothermal Approach: A Bi-Functional Electrocatalyst for the Hydrogen Evolution Reaction (HER) and Oxygen Evolution Reaction (OER).

In this work, Cu2WS4 nanoparticles have been synthesized via a solvothermal decomposition approach using a heterobimetallic single source precursor, WCu2S4(PPh3)3. The single source precursor, WCu2S4(PPh3)3, has been characterized using multinuclear NMR spectroscopy, while Cu2WS4 nanoparticles have been characterized by powder X-ray diffraction (PXRD) for which Rietveld refinement has been performed to authenticate the lattice structure of the decomposed product, Cu2WS4. Furthermore, FESEM and EDAX analyses have been performed to assess the morphology and composition of Cu2WS4. An electrochemical study in acidic as well as basic media suggested that Cu2WS4 nanoparticles possess efficient bifunctional activity towards electrochemical hydrogen as well as oxygen evolution reactions. Linear sweep voltammetry (LSV) performed in 0.5 N H2SO4 indicates an onset potential for the HER of 462 mV and a Tafel slope of 140 mV dec-1. While LSV performed in 0.1 M KOH indicates an onset potential for the OER of 190 mV and a Tafel Slope of 117 mV dec-1.

Bromodomain and BET family proteins as epigenetic targets in cancer therapy: their degradation, present drugs, and possible PROTACs.

Alteration in the pattern of epigenetic marking leads to cancer, neurological disorders, inflammatory problems etc. These changes are due to aberration in histone modification enzymes that function as readers, writers and erasers. Bromodomains (BDs) and BET proteins that recognize acetylation of chromatin regulate gene expression. To block the function of any of these BrDs and/or BET protein can be a controlling agent in disorders such as cancer. BrDs and BET proteins are now emerging as targets for new therapeutic development. Traditional drugs like enzyme inhibitors and protein-protein inhibitors have many limitations. Recently Proteolysis-Targeting Chimeras (PROTACs) have become an advanced tool in therapeutic intervention as they remove disease causing proteins. This review provides an overview of the development and mechanisms of PROTACs for BRD and BET protein regulation in cancer and advanced possibilities of genetic technologies in therapeutics.

A fluorescent Cu(ii) complex as a dual functional sensor for selective and sensitive detection of acetone and Cd(ii) pollutants.

In this study, Cu2+ perchlorate complexes of 3,5-dimetylpyrazole(dmpy), namely [Cu(dmpy)3(H2O)2](H2O)(ClO4)2 (1), were prepared and characterized by X-ray diffraction (XRD), thermogravimetric analysis (TGA), infrared (IR) spectroscopy, elemental analysis, mass spectrometry, and ultraviolet visible (UV-Vis) spectroscopy. It was determined that Cu2+ coordinated to the nitrogen atoms of three dmpy molecules as well as to the oxygen atoms of two H2O molecules in a square pyramidal geometry. To balance the charge, two uncoordinated perchlorate anions and one H2O molecule were also present in the lattice. The resulting Cu2+ complex was involved in extensive hydrogen bonding, which stabilized the structure. The fluorescence properties of complex 1 were studied in acetonitrile at room temperature upon the addition of different organic solvents. It was confirmed that the complex exhibited remarkable acetone selectivity via a fluorescence quenching mechanism. At low concentrations, the fluorescence intensities were nearly completely quenched via a turn-off mode. Moreover, complex 1 displayed exceptional selectivity, fast detection time, and high sensitivity for Cd2+ in aqueous solutions via a fluorescence enhancement mechanism (turn-on mode). Hence, the prepared complex showed potential for application in Cd2+ detection. Notably, in an aqueous solution, complex 1 exhibited highly selective fluorescence enhancement effects (turn-on mode) with respect to Cd2+ and was not affected by the interference of other metal ions.