Essentials and Pertinence of Cold Plasma in Essential Oils, Metal-Organic Frameworks and Agriculture.

Cold atmospheric pressure plasma (CAPP) comprises an ensemble of ionized gas, neutral particles, and/or reactive species. Electricity is frequently used to produce CAPP via a variety of techniques, including plasma jets, corona discharges, dielectric barrier discharges, and glow discharges. The type and flow rates of the carrier gas(es), temperature, pressure, and vacuum can all be altered to control the desired properties of the CAPP.

Cobalt-Based Ferrite Modified Carbon Nanotubes Fibers for Flexible and Disposable Microelectrode Toward Electrochemical Glucose Sensing.

Glucose detection is critical in clinical health and the food industry, particularly in the diagnosis of blood sugar levels. Carbon-based fiber materials have recently featured prominently as non-enzymatic electrochemical glucose detectors. Herein, cobalt-based ferrite (CoFeO) in the form of nanoparticles has been successfully fabricated over the carbon nanotubes (CNTs) fiber via a simple hydrothermal process.

Depression detection with machine learning of structural and non-structural dual languages.

Depression is a serious mental state that negatively impacts thoughts, feelings, and actions. Social media use is rapidly growing, with people expressing themselves in their regional languages. In Pakistan and India, many people use Roman Urdu on social media.

Species diversity and taxonomy of (Russulales, Basidiomycota) with descriptions of six species from Southwestern China.

is a species-rich genus in the family Peniophoraceae and has been shown to be polyphyletic. In this study, sequences of ITS and LSU rRNA markers of the studied samples were generated and phylogenetic analyses were performed with the maximum likelihood, maximum parsimony, and Bayesian inference methods. Seventeen lineages including six new species from China, i.

A DFT approach to correlate the physical characteristics of novel chalcopyrites ASbN(A = Li, Na) for green technology.

Semiconductor chalcopyrite compounds have been a subject of research interest due to their diverse range of physical properties that have captured the attention of scientists. In this ongoing research, we have examined the physical characteristics of LiSbN and NaSbN chalcopyrites using DFT. The modified Becke-Johnson (mBJ) potential is utilized for the computation of electronic structures.

Exploring the potential of end-capping acceptor engineering on indolo[3,2-]indole-based small molecules for efficient organic and perovskite solar cells.

Photovoltaic (PV) materials, especially organic and perovskite solar cells are effective candidates for meeting the rising global energy demand. Herein, we have designed indolo[3,2-]indole-based six molecules (IDF1-IDF6) as hole-transporting materials (HTMs) for perovskite solar cells (PSCs) and donor materials for organic solar cells (OSCs). The results demonstrated that IDF1-IDF6 molecules have tight π-π stacking, more negative HOMO levels (-5.

Fractionation of L. foliage phenolics, antioxidant activities, and anti-diabetic potential.

The present research aimed to fractionate L. (XSL) foliage phenolics into a set of solvents and evaluate their antioxidant potential and anti-diabetic activity against Alloxan monohydrate-induced diabetic mice. For this purpose, XSL foliage was fractionated into petroleum ether, ethyl acetate, ethanol, and water orbital type shaking and tested for the presence of phenolics, and their antioxidant and antidiabetic potential.

Machine learning-based prediction of osteoporosis in postmenopausal women with clinical examined features: A quantitative clinical study.

Osteoporosis is a skeletal disease that is commonly seen in older people but often neglected due to its silent nature. To overcome the issue of osteoporosis in men and women, we proposed an advanced prediction model with the help of machine learning techniques which can help to identify the potential occurrence of this bone disease by its advanced screening tools. To achieve more reliable and accurate results, various machine-learning techniques were applied to the presented data sets.

Protective potential of fresh orange juice against zinc oxide nanoparticles-induced trans-placental and trans-generational toxicity in mice.

Due to the emerging applications of nanoparticles, human exposure to nanoparticles is unavoidable, particularly to zinc oxide nanoparticles (ZnO NPs), owing to their wide range of usage. The ongoing study aimed to evaluate trans-generational toxic potential of ZnO NPs through exposure to F0 mothers, in F1 pups and F1 mature offspring and the protective potential of fresh orange juice (OJ). Twenty-eight F0 mothers were randomly allocated into four groups ( = 7), control; untreated, dose group; exposed to ZnO NPs, dose+antidote group; coadministered ZnO NPs + OJ, antidote group; OJ, during the organogenetic period.

Synthesis, DNA binding and biological evaluation of benzimidazole Schiff base ligands and their metal(ii) complexes.

Two novel benzimidazole ligands ()-2-((4-(1-benzo[]imidazole-2-yl)phenylimino)methyl)-6-bromo-4-chlorophenol (L) and ()-1-((4-(1-benzo[]imidazole-2-yl)phenylimino)methyl)naphthalene-2-ol (L) with their corresponding Cu(ii), Ni(ii), Pd(ii) and Zn(ii) complexes were designed and synthesized. The compounds were characterized by elemental, IR, and NMR (H & C) spectral analyses. Molecular masses were determined by ESI-mass spectrometry, and the structure of ligand L was confirmed by single crystal X-ray diffraction analysis.

Biologically potent organotin(iv) complexes of -acetylated β-amino acids with spectroscopic, X-ray powder diffraction and molecular docking studies.

Twelve novel organotin(iv) complexes (1-12) of -acetylated β-amino acids (L-L) were synthesized and characterized by elemental analysis, FTIR, multinuclear (H, C, Sn) NMR, EI-MS and powder XRD techniques. The XRD results determined lattice parameters, average particle size, and intrinsic strain and confirmed the crystalline nature of complexes as face centered cubic phases. Molecular docking analysis using a catalytic pocket of the enzyme indicated that most of the compounds displayed a well-fitted orientation and occupied important amino acids in the enzyme's catalytic pocket.

Synthesis, characterization and exploration of photovoltaic behavior of hydrazide based scaffolds: a concise experimental and DFT study.

Solar energy being a non-depleting energy resource, has attracted scientists' attention to develop efficient solar cells to meet energy demands. Herein, a series of hydrazinylthiazole-4-carbohydrazide organic photovoltaic compounds (BDTC1-BDTC7) with an A1-D1-A2-D2 framework was synthesized with 48-62% yields, and their spectroscopic characterization was accomplished using FT-IR, HRMS, H and C-NMR techniques. Density functional theory (DFT) and time dependent DFT analyses were performed utilizing the M06/6-31G(d,p) functional to calculate the photovoltaic and optoelectronic properties of BDTC1-BDTC7 numerous simulations of the frontier molecular orbitals (FMOs), transition density matrix (TDM), open circuit voltage ( ) and density of states (DOS).

Preparation of stimuli responsive microgel with silver nanoparticles for biosensing and catalytic reduction of water pollutants.

Herein, we report poly(-isopropylacrylamide/2-acrylamido-2-methylpropane sulfonic acid) microgel fabricated with silver nanoparticles. The identification of copolymerization and functional groups in the bare microgel and those fabricated with silver nanoparticles was examined by Fourier transform infrared spectroscopy. The pH and temperature sensitivity of microgels was studied using dynamic light scattering.

Models for MAGDM with dual hesitant -rung orthopair fuzzy 2-tuple linguistic MSM operators and their application to COVID-19 pandemic.

In this article, we introduce dual hesitant -rung orthopair fuzzy 2-tuple linguistic set (DH-ROFTLS), a new strategy for dealing with uncertainty that incorporates a 2-tuple linguistic term into dual hesitant -rung orthopair fuzzy set (DH-ROFS). DH-ROFTLS is a better way to deal with uncertain and imprecise information in the decision-making environment. We elaborate the operational rules, based on which, the DH-ROFTL weighted averaging (DH-ROFTLWA) operator and the DH-ROFTL weighted geometric (DH-ROFTLWG) operator are presented to fuse the DH-ROFTL numbers (DH-ROFTLNs).

First theoretical probe for efficient enhancement of optical nonlinearity structural modifications into phenylene based D-π-A configured molecules.

The design of nonlinear optical (NLO) materials using conjugated molecules different techniques is reported in the literature to boost the use of these systems in NLO. Therefore, in the current study, designed phenylene based non-fullerene organic compounds with a D-π-A framework were selected for NLO investigation. The initial compound (PMD-1) was taken as a reference and its seven derivatives (PMDC2-PMDC8) were made by introducing different acceptor moieties into the chemical structure of PMD-1.

Designing of Thiazolidinones for COVID-19 and its Allied Diseases: An Evaluation.

studies in terms of density functional theory (DFT), molecular docking, and ADMET (absorption, distribution, metabolism, excretion and toxicity) were performed for 55 thiazolidinones compounds derived from different amines and aldehydes. DFT is a computational quantum mechanical modeling method used to predict the various properties of the compounds. Different parameters such as Electronegativity (x), Chemical Hardness (ŋ), Chemical Potential (μ), Ionization potential (IP), and Electron Affinity (EA), etc.

A series of lanthanide-quinoxaline-2,3(1,4)-dione complexes containing 1D chiral LnO (Ln = Eu, Tb, Sm, Dy) chains: luminescent properties and response to small molecules.

Five new isostructural lanthanide-organic complexes, [LnO(OH)(HQXD)(HQXD)]·HO (Ln = Eu 1, Tb 2, Sm 3 Dy 4 and Gd 5; HQXD = quinoxaline-2,3(1,4)-dione), have been synthesized under hydrothermal conditions. These complexes are characterized by powder X-ray diffraction (PXRD), infrared spectroscopy (IR), elemental analysis (EA), thermogravimetric-differential thermal analysis (TG-DTA) and photo-luminescent spectroscopy. Single crystal X-ray diffraction analysis of complex 1 revealed that the structure featured in 1D chiral "EuO" chains surrounded by coordinating organic ligands.

Three new species of (Agaricales, Inocybaceae) from Tropical Africa.

Here, we describe three new species of from Tropical Africa: , and . Morphological and molecular data show that these species have not been described before, hence need to be described as new. The phylogenetic placements of these species were inferred, based on molecular evidence from sequences of 28S and RPB2.

The controlled synthesis of g-CN/Cd-doped ZnO nanocomposites as potential photocatalysts for the disinfection and degradation of organic pollutants under visible light irradiation.

The growth of well-dispersed Cd-doped ZnO nanoparticles (Cd-ZnO NPs) on graphitic carbon nitride (g-CN) nanosheets was successfully achieved through the co-precipitation method for the formation of Cd-doped ZnO nanocomposites with g-CN (Cd-ZnO/g-CN NCs). The effect of different compositions of ternary nanocomposites (Cd-ZnO/g-CN NCs) on photocatalytic properties was investigated. Ternary NCs, in which 60% g-CN hybridized with 7% Cd-doped ZnO (g-CN/Cd-ZnO) NCs were proven to be optimum visible-light-driven (VLD) photocatalysts for the degradation of methylene blue (MB) dye.

Folic acid-sulfonamide conjugates as antibacterial agents: design, synthesis and molecular docking studies.

Dihydrofolate reductase (DHFR) inhibitors, as antibacterial agents, contain pyrimidine, pteridine, and azine moieties among many other scaffolds. Folic acid (FA), with a pteridine ring and amine group, was used as our focus scaffold, which was then conjugated with sulfonamides to develop new conjugates. The novel synthesized conjugates were characterized using infrared spectroscopy, and H and C nuclear magnetic resonance (NMR) spectral studies and consequently screened for antimicrobial activities against bacterial strains with ampicillin as a positive control.

First principles study of electronic and nonlinear optical properties of A-D-π-A and D-A-D-π-A configured compounds containing novel quinoline-carbazole derivatives.

Materials with nonlinear optical (NLO) properties have significant applications in different fields, including nuclear science, biophysics, medicine, chemical dynamics, solid physics, materials science and surface interface applications. Quinoline and carbazole, owing to their electron-deficient and electron-rich character respectively, play a role in charge transfer applications in optoelectronics. Therefore, an attempt has been made herein to explore quinoline-carbazole based novel materials with highly nonlinear optical properties.

, a new species of subgenus section from Pakistan.

A new species from coniferous forests in Pakistan, , is described on the basis of morpho-anatomy and molecular data set analyses. This species is characterized by its medium-sized to large basidiomata, grayish brown to brown pileal surface and rimose pileus margin with gray to dark brown verrucose veil remnants, a cream stipe with bulbous base having grayish brown or brown longitudinal striations above the annulus, a scaly surface towards the base, globose to broadly ellipsoid and amyloid basidiospores, and the absence of clamped septa in all tissues. Molecular phylogenetic analyses based on ITS and LSU sequences confirmed its identity as a new taxon nested within subgen.