Ferromagnetism in Defected TMD (MoX, X = S, Se) Monolayer and Its Sustainability under O, O, and HO Gas Exposure: DFT Study.

Spin-polarized density-functional theory (DFT) has been employed to study the effects of atmospheric gases on the electronic and magnetic properties of a defective transition-metal dichalcogenide (TMD) monolayer, MoX with X = S or Se. This study focuses on three single vacancies: (i) molybdenum "V"; (ii) chalcogenide "V"; and (iii) di-chalcogenide "V". Five different samples of sizes ranging from 4 × 4 to 8 × 8 primitive cells (PCs) were considered in order to assess the effect of vacancy-vacancy interaction.

Screening for Multifarious Plant Growth Promoting and Biocontrol Attributes in Strains Isolated from Indo Gangetic Soil for Enhancing Growth of Rice Crops.

Multifarious plant growth-promoting strains recovered from rhizospheric soils of the Indo Gangetic plains (IGPs) were identified as MNNITSR2 and MNNITSR18 based on their biochemical characteristics and 16S rDNA gene analysis. Both strains exhibited the ability to produce IAA, siderophores, ammonia, lytic enzymes, HCN production, and phosphate solubilization capability and strongly inhibited the growth of phytopathogens such as and in vitro. In addition, these strains are also able to grow at a high temperature of 50 °C and tolerate up to 10-15% NaCl and 25% PEG 6000.

Electronic structure and defect-induced luminescence study of phase-stabilized t-ZrO nanocrystals.

Luminescent tetragonal-ZrO (t-ZrO ) nanocrystals were synthesized using an optimized combustion method without post-synthesis annealing and characterized using X-ray diffraction, electron microscopy, Raman spectroscopy, X-ray photoelectron spectroscopy, UV-Vis. spectroscopy, photoluminescence spectroscopy, thermoluminescence (TL), and vibrating sample magnetometry. The as-synthesized t-ZrO nanocrystals have a bandgap of 4.

Microbial Exopolysaccharide Composites in Biomedicine and Healthcare: Trends and Advances.

Microbial exopolysaccharides (EPSs), e.g., xanthan, dextran, gellan, curdlan, etc.

Classification of Brain Tumours in MRI Images using a Convolutional Neural Network.

Introduction: Recent advances in deep learning have aided the well-being business in Medical Imaging of numerous disorders like brain tumours, a serious malignancy caused by unregulated and aberrant cell portioning. The most frequent and widely used machine learning algorithm for visual learning and image identification is CNN.

Methods: In this article, the convolutional neural network (CNN) technique is used.

Metal-Organic Framework-Based Materials for Wastewater Treatment: Superior Adsorbent Materials for the Removal of Hazardous Pollutants.

In previous years, different pollutants, for example, organic dyes, antibiotics, heavy metals, pharmaceuticals, and agricultural pollutants, have been of note to the water enterprise due to their insufficient reduction during standard water and wastewater processing methods. MOFs have been found to have potential toward wastewater management. This Review focused on the synthesis process (such as traditional, electrochemical, microwave, sonochemical, mechanochemical, and continuous-flow spray-drying method) of MOF materials.

Janus β-PdXY (X/Y = S, Se, Te) materials with high anisotropic thermoelectric performance.

Two-dimensional (2D) materials have garnered considerable attention as emerging thermoelectric (TE) materials owing to their unique density of states (DOS) near the Fermi level. We investigate the TE performance of Janus β-PdXY (X/Y = S, Se, Te) monolayer materials as a function of carrier concentration and temperature in the mid-range from 300 to 800 K by combining density functional theory (DFT) and semi-classical Boltzmann transport theory. The phonon dispersion spectra and AIMD simulations confirm their thermal and dynamic stability.

Fabricating gum polysaccharides based nano-composites for drug delivery uses via sustainable green approach.

Recent advancements in development of natural polymer nono-composites led to exploration of potential of gum acacia (GA) and tragacanth gum (TG) for design of silver nanoparticles (AgNPs) impregnated grafted copolymers via green approach for use in drug delivery (DD). The formation of copolymers was confirmed by UV-Vis spectroscopy, TEM, SEM, AFM, XPS, XRD, FTIR,TGA and DSC. UV-Vis spectra indicated the formation of AgNPs using GA as reducing agent.

"Multidimensional correlation analysis of temperature and contact time on eradication of biofilms of Cronobacter sakazakii on abiotic surfaces by combination of hypochlorite and malic acid".

Aim: In the present study, malic acid in combination with sodium hypochlorite is evaluated for eradication of biofilms formed by Cronobacter sakazakii strains individually and in a cocktail on different abiotic surfaces.

Method And Results: The biofilm formation by five strains of C. sakazakii and their cocktail culture on different substrates was studied in Tryptone Soy Broth (TSB) and reconstituted Powdered Infant Formula (PIF).

"Multidimensional correlation analysis of temperature and contact time on eradication of biofilms of Cronobacter sakazakii on abiotic surfaces by combination of hypochlorite and malic acid".

Aim: In the present study, malic acid in combination with sodium hypochlorite is evaluated for eradication of biofilms formed by Cronobacter sakazakii strains individually and in a cocktail on different abiotic surfaces.

Method And Results: The biofilm formation by five strains of C. sakazakii and their cocktail culture on different substrates was studied in Tryptone Soy Broth (TSB) and reconstituted Powdered Infant Formula (PIF).

Constructing α-FeO/g-CN/SiO S-scheme-based heterostructure for photo-Fenton like degradation of rhodamine B dye in aqueous solution.

This work successfully fabricated graphitic carbon nitride and magnetically recoverable α-FeO/g-CN/SiO photo-Fenton catalysts using thermal polycondensation and in situ-simple precursor drying-calcination process, respectively, was examined for model synthetic rhodamine B (RhB) dye in the presence of HO and acidic pH under simulated visible light irradiation. An aqueous suspension of the reaction mixture of dye-containing wastewater was fully degraded and reached 97% of photo-Fenton degradation efficiency within 120 min followed by the production of hydroxyl radical (OH). The dominant hydroxyl radical position generated surface charge, electrostatic potential distribution, and average local ionization potential, which contributed to the complete mineralization of RhB dye, according to the density functional theory (DFT) calculations.

Machine Learning-Based Analytical Systems: Food Forensics.

Despite a large amount of money being spent on both food analyses and control measures, various food-borne illnesses associated with pathogens, toxins, pesticides, adulterants, colorants, and other contaminants pose a serious threat to human health, and thus food safety draws considerable attention in the modern pace of the world. The presence of various biogenic amines in processed food have been frequently considered as the primary quality parameter in order to check food freshness and spoilage of protein-rich food. Various conventional detection methods for detecting hazardous analytes including microscopy, nucleic acid, and immunoassay-based techniques have been employed; however, recently, array-based sensing strategies are becoming popular for the development of a highly accurate and precise analytical method.

Volumetric, Compressibility and Viscometric Approach to Study the Interactional Behaviour of Sodium Cholate and Sodium Deoxycholate in Aqueous Glycyl Glycine.

Viscosity, speed of sound (), and density () have been measured in aqueous glycyl glycine solution over a temperature range from 293.15 to 313.15 K with a 5 K interlude to evaluate the volumetric and compressibility properties of bio-surfactants, namely sodium cholate (NaC; 1-20 mmol∙kg) and sodium deoxycholate (NaDC; 1-10 mmol∙kg).

Study on Volumetric, Compressibility and Viscometric Behavior of Cationic Surfactants (CTAB and DTAB) in Aqueous Glycyl Dipeptide: A Thermo-Acoustic Approach.

This study aims to understand how glycyl dipeptide affected the compressibility, volumetric behavior and viscometric behavior of the cationic surfactants CTAB (Cetyltrimethylammonium bromide) and DTAB (dodecyltrimethylammonium bromide). Information on solute-solute, solute-solvent, and solvent-solvent interactions has been inferred using the quantification of density (), speed of sound () and viscosity in aqueous media containing glycyl dipeptide in the temperature range 293.15-313.

Biotransformation of 3-cyanopyridine to nicotinic acid using whole-cell nitrilase of Gordonia terrae mutant MN12.

In the present study, the Gordonia terrae was subjected to chemical mutagenesis using ethyl methane sulfonate (EMS) and methyl methane sulfonate (MMS), N-methyl-N-nitro-N-nitrosoguanidine (MNNG), 5-bromouracil (5-BU) and hydroxylamine with the aim of improving the catalytic efficiency of its nitrilase for conversion of 3-cyanopyridine to nicotinic acid. A mutant MN12 generated with MNNG exhibited increase in nitrilase activity from 0.5 U/mg dcw (dry cell weight) (in the wild G.

Electronic Band Gap Tuning and Calculations of Mechanical Strength and Deformation Potential by Applying Uniaxial Strain on MX (M = Cr, Mo, W and X = S, Se) Monolayers and Nanoribbons.

Two-dimensional (2D) transition-metal dichalcogenides (TMDs) are new crystalline materials with exotic electronic, mechanical, and optical properties. Due to their inherent exceptional mechanical strength, these 2D materials provide us the best platform for strain engineering. In this study, we have performed first-principles calculations to study the effect of uniaxial strains on the electronic, magnetic, and mechanical properties of transition-metal dichalcogenides (TMDs) MX (where M = Cr, Mo, W and X = S, Se), monolayers (2D), and armchair and zigzag nanoribbons (1D).

Functionalized Moringa oleifera Gum as pH-Responsive Nanogel for Doxorubicin Delivery: Synthesis, Kinetic Modelling and In Vitro Cytotoxicity Study.

Environment-responsive-cum-site-specific delivery of therapeutic drugs into tumor cells is a foremost challenge for chemotherapy. In the present work, gum-based pH-responsive nanogel (MOGN) was functionalized as a doxorubicin (DOX) carrier. It was synthesized via free radical polymerization through the γ-irradiation method using acrylamide and N,N'-MBA followed by hydrolysis, sonication, and ultracentrifugation.

Conductometric and Fluorescence Probe Analysis to Investigate the Interaction between Bioactive Peptide and Bile Salts: A Micellar State Study.

The present work deals with the micellar state study of sodium cholate and sodium deoxycholate in the aqueous solution of a bioactive peptide, namely glycyl dipeptide, having different concentrations through conductivity and fluorescence methods at different temperatures. The data obtained from conductivity is plotted against the concentration of Bile salts, and (critical micelle concentration) values are calculated. The results realized have been elucidated with reference to Glycyl dipeptide-bile salts hydrophobic/hydrophilic interactions existing in solution.

An improved process for synthesis of nicotinic acid using hyper induced whole cell nitrilase of MTCC8139.

Nitrilase mediated synthesis of nicotinic acid (vitamin B3) from 3-cyanopyridine has emerged as promising viable alternative to its chemical synthesis. In the present investigation, the nitrilase production in MTCC8139 has been increased by two fold with inducer feeding approach [i.e.

Density functional theory studies on molecular geometry, spectroscopy, HOMO-LUMO and reactivity descriptors of titanium(IV) and oxidozirconium(IV) complexes of phenylacetohydroxamic acid.

The molecular geometry of new titanium(IV) and oxidozirconium(IV) phenylacetohydroxamate complexes [TiCl (L1) ] (I) and [ZrO(L1) ] (II) (where L1 = Potassium phenylacetohydroxamate = C H CH CONHOK) computed by B3LYP/6-311++G(d,p) method has shown these to be distorted octahedral and square pyramidal, respectively. A comparison of computed characteristic bond lengths (CO, CN, and NO) of complexes with that of free ligand has shown chelation through carbonyl and hydroxamic oxygen atoms (O, O coordination). The TiO/ZrO bond lengths in complexes are suggestive of weak coordination through (carbonyl CO) and strong covalent (hydroxamic NO) bonding of the ligand.

Municipal Wastewater Connection for Water Crisis and Jaundice Outbreaks in Shimla City: Present Findings and Future Solutions.

The felicitous tourist destination "Hills Queen" and the capital city of Himachal Pradesh, an enticing state in the Himalayan region, are met with water crisis every year and jaundice outbreaks occasionally. In 2016, there was a severe jaundice outbreak in Shimla city. In a contemporaneous investigation, we attempted to trace out the possible reason for these crises in Shimla.

A DFT study of Se Te clusters.

First principles calculations have been performed to study the characteristic properties of Se Te ( = 5-10) clusters. The present study reveals that the properties of these small clusters are consistent with the properties of Se-Te glassy systems. Several hundred equilibrium structures obtained from a genetic algorithm based USPEX code are relaxed to their minimum energy using the VASP code.

Synthesis and characterization of modified bioactive arabinoxylan-psyllium: Evaluation of molecular interactions, physiochemical and biomedical properties.

Keeping in view the future prospectus of carbohydrate polymers, present research report is an elaboration, exploration and execution of the research expectancy in area of these polymers by researchers like John F. Kennedy. Herein, molecular interactions and physiochemical properties of modified bioactive arabinoxylan-psyllium have been evaluated for drug delivery applications.

Cellulose nanocrystals based delivery vehicles for anticancer agent curcumin.

Cancer is a complex disease that starts with genetic alterations and mutations in healthy cells. The past decade has witnessed a huge demand for new biocompatibility and high-performance intelligent drug delivery systems. Curcumin (CUR) is a bioactive stimulant with numerous medical benefits.