Observation of Fascinating Nonlinear Optical Features of Fluorescent Dye in Selected Polar Solvents by Z-Scan and DFT Method.

Third-order nonlinear optical (NLO) properties of Acridine Orange (AO) dye were studied using Z-scan method under low power conditions and DFT method. The dye was completely dissolved in polar solvents, including ethanol, methanol, acetone, and 1-propanol. Significant optical nonlinearity was observed in polar liquids, with methanol showing the largest optical susceptibility for the AO dye.

DFT and Z-scan Studies for the Determination of Nonlinear Optical Susceptibility and Second Order Hyperpolarizability of Ethidium Bromide Dye in Different Solvents.

Nonlinear optical (NLO) susceptibility of Ethidium Bromide (EB) dye, an excellent NLO material, dissolved in different solvents, including ethanol, methanol, acetone, 1-propanol, DMF, and DMSO is reported. Z-scan tool is used to measure the NLO features of EB dye using open and closed aperture methods. The peak-valley transmittance graph indicating self-defocusing nonlinearity in the nonlinear refractive index of EB dye in different solvents.

Intermolecular Forces in Bioactive Resveratrol Complexes with Alcohols: A Study of Stability and Electronic Structure.

Noncovalent interactions, particularly hydrogen bonding, play a pivotal role in determining the structural stability and functional properties of molecules, including bioactive compounds like resveratrol. This study focuses on the hydrogen-bonding behavior and other noncovalent interactions in gas-phase resveratrol-ethanol (EtOH) and resveratrol-methanol (MtOH) complexes, referred to as System 1 and System 2, respectively. These systems were optimized using the ωB97XD functional and cc-pVDZ basis set, providing a detailed picture of their stability and intermolecular interactions.

Identification and occurrence of microplastics in drinking water bottles and milk packaging consumed by humans daily.

Microplastic (MP) pollution has become a growing concern due to its potential environmental and health impacts. The present study aimed to investigate the presence of MPs in specific brands of drinking water bottle and milk packets. To identify the MPs, researchers employed microscopic techniques, FTIR spectroscopy, and FESEM with EDS.

MnO Tetrahedral with Carbonyldiimidazole Nanoflower Deposition on Laser-Scribed Graphene for Selective Bio-Capture.

Dengue fever, a mosquito-borne viral infection, poses a significant global health challenge, particularly in tropical and subtropical regions. The absence of non-effective vaccines and specific treatments underscores the need for advanced diagnostic tools for early detection and management. This study presents a novel biosensor for detecting dengue virus type 4 (DENV-4) by combining carbonyldiimidazole nanoflower (CDI-NF) with MnO on laser-scribed graphene (LSG).

Energy metabolism coordination for the byproduct-free biosynthesis of 1,3-propanediol in Escherichia coli.

The efficient, byproduct-free production of 1,3-propanediol (1,3-PDO), a valuable chemical widely used in various industries, presents a significant challenge in bio-based manufacturing, due to its reduced nature. In this study, Escherichia coli K12 was engineered to achieve high-yield 1,3-PDO production by optimizing glucose metabolism and utilizing glycerol as a feedstock. Glycolytic flux was rerouted to the NADPH-generating pentose phosphate (PP) pathway, linking NADPH regeneration to 1,3-PDO biosynthesis.

Retraction notice to "Pyto-Architechture of Ag, Au and Ag-Au bi-metallic nanoparticles using waste orange peel extract for enable carcinogenic Congo red dye degradation" [Environ. Res. 242 (2024) 117625].

This article has been retracted: please see Elsevier Policy on Article Withdrawal (https://www.elsevier.com/locate/withdrawalpolicy).

Retraction notice to "Rationally construction of 2D & 3D material on h-BN @ SnO/TiO micro-sphere enables for photocatalytic debasement of textile cloth dyes in waste water treatment" [Environ. Res. 251-P2 (2024) 118728].

This article has been retracted: please see Elsevier Policy on Article Withdrawal (https://www.elsevier.com/locate/withdrawalpolicy).

Hierarchically design MoS/CdNi@RGO ultra-thin hybrid sheet for Photocatalytic degradation of organic contaminants fingerprinting in environmental matrices.

The aim of this study was to synthesize effective and economical MoS/CdNi@rGO photocatalysts and investigate their performance in the degradation of organic pollutants in synthetic effluent. The objective was to assess the characterization results of the synthesized photocatalysts using XRD, SEM/EDS, TEM/HR-TEM, Raman spectrum, and BET isotherm analysis tools. These analyses revealed the good adhesion of MoS with rGO and provided insights into the structure and properties of the materials.

Chemical free, bio-Intercalation of selenium nanoparticles for highly accelerated photo-responsive of organic contaminants debasement and their in-vitro anti-bacterial agents, anti-oxidants effect, cyto-toxic analysis.

This study investigates the use of Excoecaria agallocha leaves as a bio-template for the intercalation of Selenium nanoparticles (SeNPs). The synthesized SeNPs were characterized using techniques like SEM-EDX, TEM/HR-TEM, and XRD spectroscopic studies. The study found that SeNPs showed maximum cleaning ability at a dosage of 50 μl/mL, with 95% inhibition of DPPH radicals.

Environmental profiling of gold nanoparticles by flavonoids fractionalization from carrica papaya leaf extract for photocatalytic debasement of organic contaminants and it's cyto-toxic analysis.

In present investigation, Carica papaya leaf extract has been employed as a bio-reductant agent in order to synthesize ecologically sustainable bio-coupled gold nanoparticles. The formation of gold nanoparticles was confirmed based on colour change of solution and its surface plasmon resonance peak measured using UV-Vis Spectrophotometer (UV-Vis). The Morphology and size of nanoparticles were determined using transmission electron microscope (SEM/TEM), and its crystalline structure by X-ray diffraction studies.

Biocidal efficacy of olefinic N-alkylamides against and larvae.

Mosquito-borne diseases are a major public-health concern worldwide. The development of resistance in mosquitoes to the existing larvicides and the associated-risks necessitates the exploration of novel molecules to control vector-borne pathogens. This study demonstrates that N-alkylamides [2,4-N-isobutyl-undeca-2,4-diene-8,10-diynamide () and 2,4,8,10-N-isobutyl-dodeca-2,4,8,10-tetraenamide ()] of exhibit biocidal action against and larvae.

In silico energetic and molecular dynamic simulations studies demonstrate potential effect of the point mutations with implications for protein engineering in BDNF.

Protein engineering by directed evolution is time-consuming. Hence, in silico techniques like FoldX-Yasara for ∆∆G calculation, and SNPeffect for predicting propensity for aggregation, amyloid formation, and chaperone binding are employed to design proteins. Here, we used in silico techniques to engineer BDNF-NTF3 interaction and validated it using mutations with known functional implications for NGF dimer.

Effects of (yogic colon cleansing) on anthropometric measurements in obese individuals.

Objectives: Obesity is considered as one of the major public health burden and it is predictor of cardiovascular risk factor. Yoga is a mind-body medicine helps to promote health. This study was aimed to explore whether (LS) reduce the body weight in obese individuals.

Spectroscopic characterization, DFT, antimicrobial activity and molecular docking studies on 4,5-bis[(E)-2-phenylethenyl]-1H,1'H-2,2'-biimidazole.

The newly synthesized imidazole derivative namely, 4,5-bis[(E)-2-phenylethenyl]-1H,1'H-2,2'-biimidazole (KA1), was studied for its molecular geometry, docking studies, spectral analysis and density functional theory (DFT) studies. Experimental vibrational frequencies were compared with scaled ones. The reactivity sites were determined using average localized ionization analysis (ALIE), electron localized function (ELF), localized orbital locator (LOL), reduced density gradient (RDG), Fukui functions and frontier molecular orbital (FMO).

Comparison study (experimental and theoretical), hydrogen bond interaction through water, donor acceptor investigation and molecular docking study of 3,3-((1,2-phenylenebis (azaneylylidene)) bis (methaneylylidene)) diphenol.

The novel Schiff's base (CS6) was synthesized and confirmed by various studies. The B3LYP/cc-pVDZ basis set was used for theoretical study and the results indicated that both the theoretical and experimental studies correlated well. The interaction energy of CS6-water complex calculated by using the local energy decomposition analysis was found to be -7.

Potential antioxidant and anti-inflammatory activity of extract mediated Phytosynthesis of MnO nanoparticles.

The present research work describes the phyto-synthesis of Manganese dioxide nanoparticles (MnONPs) from the reduction of potassium permanganate using () plant extract. From the literature review, we clearly understood the plant has anti-inflammatory activity. Manganese dioxides are important materials due to their wide range of applications.

Activity against of a new class of spirooxindolopyrrolidine embedded chromanone hybrid heterocycles.

A new class of structurally intriguing heterocycles embedded with spiropyrrolidine, oxindole and chromanones was prepared by regio- and stereoselectively in quantitative yields using an intermolecular tandem cycloaddition protocol. The compounds synthesized were assayed for their anti-mycobacterial activity against () H37Rv and isoniazid-resistant ( and promoter mutations) clinical isolates. Four compounds exhibited significant antimycobacterial activity against strains tested.

Synthesis, solvent role, absorption and emission studies of cytosine derivative.

The (E)-4-((4-hydroxy-3-methoxy-5-nitrobenzylidene) amino) pyrimidin-2(1H)-one (C5NV) was synthesized from cytosine and 5-nitrovanilline by simple straightforward condensation reaction. The structural characteristics of the compound was determined and optimized by WB97XD/cc-pVDZ basis set. The vibrational frequencies were computed and subsequently compared to the experimental frequencies.

Synthesis, topology, molecular docking and dynamics studies of -phenylenediamine derivative.

The N, N'-(1,2-phenylene) bis (1- (4- chlorophenyl) methanimine) (CS4) was synthesized and characterized by infrared (IR), absorption (UV-vis) and NMR (H and C) spectral analyses. The structural parameters, vibrational frequencies, potential energy and the distribution analysis (PED) were calculated by using DFT with the basis set of B3LYP/cc-pVDZ and these spectral values were compared to the experimental values. HOMO and LUMO studied were performed in order to understand the stability and biological activity of the compound.

Remediation of phenanthrene by highly efficient CdS-SnS photocatalyst and its cytotoxic assessments.

Cadmium sulfide-tin sulfide (CdS-SnS) nanoparticles are a novel kind of photocatalyst. These CdS-SnS nanoparticles are synthesized and characterized using UV-Vis, FT-IR, XRD, SEM-EDX, and DLS techniques, to understand their size distribution, crystalline nature, morphology, shape, optical properties, and elemental composition. This research offers insight into the efficient photocatalytic degradation of Phenanthrene (PHE) using CdS-SnS.