screening of therapeutic potentials from against the dimeric main protease (M) structure of SARS-CoV-2.

The novel coronavirus also referred to as SARS-CoV-2 causes COVID-19 and became global epidemic since its initial outbreak in Wuhan, China, in December 2019. Research efforts are still been endeavoured towards discovering/designing of potential drugs and vaccines against this virus. In the present studies, we have contributed to the development of a drug based on natural products to combat the newly emerged and life-threatening disease.

Acetalization of glycerol and benzaldehyde to synthesize biofuel additives using SO /CeO-ZrO catalyst.

Synthesis of 1,3- dioxane and 1,3-dioxolane, using sulfated CeO-ZrO catalyst for acetalization of glycerol with benzaldehyde, is the focus of present work. SO /CeO-ZrO catalyst was synthesized using combustion method. Experiments were carried out to analyze the effect of various solvents (n-hexane, toluene, tert-butyl alcohol, pentanol), molar ratios (1:3, 1:5, 1:7), catalyst loadings (3 wt%, 5 wt%, 9 wt %) and temperatures (80 °C, 90 °C, 100 °C) on glycerol conversion and selectivity of the products.

Optical, Structural and Photoluminescence Properties of Gd SrO: CdO Nanostructures Synthesized by Co Precipitation Method.

To investigate the effect of Gd SrO: CdO (x = 0.1, 0.3, 0.

Analysis of Fluorescence Quenching of Coumarin Derivative under Steady State and Transient State Methods.

Nature has gifted us many organic molecules which have remarkable influence in our daily life. Amongst many organic molecules, heterocyclic organic molecules have gained potential applications in the advanced field of biomedicine, pharmaceutical, electronics and many more. In the present work fluorescence quenching of biologically active fluorescent probe 8EMOHCC by aniline in different solvents have been studied at room temperature.

Computational and spectroscopic studies of biologically active coumarin-based fluorophores.

We used density functional theory (DFT) calculations to examine the various molecular properties of two coumarin derivatives, namely 4-(5-amino-[1,3,4]thiadiazol-2-ylsulfanylmethyl)-7-methyl-chromen-2-one and 4-(5-amino-[1,3,4]thiadiazol-2-ylsulfanylmethyl)-7-methoxy-chromen-2-one at different levels of theory and basis sets. The calculated highest occupied molecular orbital and lowest unoccupied molecular orbital energies revealed that the investigated molecules were chemically active with a tendency for molecular interactions. The theoretical vibrational frequencies of these molecules were found to be consistent with the experimentally obtained frequencies.

Revealing the biradicaloid nature inherited in the derivatives of thieno[3,4-][1,2,5]thiadiazole: a computational study.

Computational studies were performed on non-classical thieno[3,4-c][1,2,5] thiadiazole and its pi donor derivatives (TT dyes) so as to delineate the factors responsible for their near-infrared (NIR) absorption. For all dyes except the unsubstituted bare dye, adiabatic singlet-triplet energy gaps (estimated through the ΔSCF procedure using the B3LYP and M062X DFT methods and SFTDDFT with the 5050 functional) were less than 1eV. Percentage calculations of the biradicaloid character suggested a moderate biradicaloid nature in all derivatives.

Investigation of interaction between boronic acids and sugar: effect of structural change of sugars on binding affinity using steady state and time resolved fluorescence spectroscopy and molecular docking.

Binding interactions of boronic acid derivatives viz. 2-Methylphenylboronic acid (B1) and 3-Methoxyphenylboronic acid (B2) with mono saccharides (arabinose, fructose and galactose) and disaccharides (sucrose, lactose and maltose) in aqueous condition at pH 7.4 by means of fluorescence spectroscopy is reported in the present investigation.

'Luminescent carbon nanodots: Current prospects on synthesis, properties and sensing applications'.

'Nanocarbon science' ignited interest owing to its substantial scope in biomedicine, energy and environment-beneficial applications. Carbon dots (C-dots), a multi-faceted nanocarbon material, emerged as a homologue to graphene and henceforth geared extensive investigation both on its properties and applications. Eximious properties like excitation-wavelength tunable fluorescence emission, up-converted photoluminescence, photon-induced electron transfer, low cytotoxicity, chiroptical behavior, high chemical and photostability set the ground for astounding applications of carbon dots.

Poly (alanine)/NaOH/ MoS/MWCNTs modified carbon paste electrode for simultaneous detection of dopamine, ascorbic acid, serotonin and guanine.

The detection of biomolecules such as dopamine (DA), ascorbic acid (AA), serotonin (5-HT), and guanine (GU) is essential for biomedical chemistry and disease diagnosis. In this work, MoS/acid-treated MWCNTs composite (Ms-atCNTs) was first prepared and then used to modify carbon paste electrode (CPE), followed by electropolymerization of alanine in the presence of NaOH. The resulting modified electrode (p-Aln/Ms-atCNTCPE) was tested for the simultaneous detection of DA, AA, 5-HT, and GU using cyclic voltammetry and differential pulse voltammetry in phosphate buffer solution (PBS).

Understanding the binding interaction between phenyl boronic acid P1 and sugars: determination of association and dissociation constants using S-V plots, steady-state spectroscopic methods and molecular docking.

Continuous monitoring of glucose and sugar sensing plays a vital role in diabetes control. The drawbacks of the present enzyme-based sugar sensors have encouraged the investigation into alternate approaches to design new sensors. The popularity of fluorescence sensors is due to their ability to bind reversibly to compounds containing diol.

Electroencephalogram-Based Emotion Recognition Using a Particle Swarm Optimization-Derived Support Vector Machine Classifier.

We sort human emotions using Russell's circumplex model of emotion by classifying electroencephalogram (EEG) signals from 25 subjects into four discrete states, namely, happy, sad, angry, and relaxed. After acquiring signals, we use a standard database for emotion analysis using physiological EEG signals. Once raw signals are pre-processed in an EEGLAB, we perform feature extraction using Matrix Laboratory and apply discrete wavelet transform.

Optimization of oxalic acid pre-treatment and enzymatic saccharification in Typha latifolia for production of reducing sugar.

Background: Plants with high biomass can be manipulated for their reducing sugar content which ultimately upon fermentation produces ethanol. This concept was used to enhance the production of reducing sugar from cattail (Typha latifolia) by oxalic acid (OAA) pre-treatment followed by enzymatic saccharification.

Result: The optimum condition of total reducing sugar released from OAA pre-treatment was found to be 22.

Complexity analysis and dynamic characteristics of EEG using MODWT based entropies for identification of seizure onset.

In this paper, complexity analysis and dynamic characteristics of electroencephalogram (EEG) signal based on maximal overlap discrete wavelet transform (MODWT) has been exploited for the identification of seizure onset. Since wavelet-based studies were well suited for classification of normal and epileptic seizure EEG, we have applied MODWT which is an improved version of discrete wavelet transform (DWT). The selection of optimal wavelet sub-band and features plays a crucial role to understand the brain dynamics in epileptic patients.

Proteomic profiling of by high-resolution mass spectrometry.

an opportunistic human pathogen, is reported as an important cause of nosocomial infection and outbreaks. Although the genome of (ATCC 13880) was completely sequenced by 2014, there are no studies on the proteomic profile of the organism. The objective of the present study is to analyze the protein profile of (ATCC 13880) using a high resolution mass spectrometry (MS).

Preparation and optical parameter characterization of two aldehyde derivative thin films for photonic applications by drop casting method.

In this study, thin films of polymer poly(methyl methacrylate) were prepared using a drop casting method. Two newly synthesized aldehyde derivatives, 2-bromomalonaldehyde and 5,6-dihydroimidazo[2,1-b]thiazole-2-carbaldehyde, were used at different concentrations to dope the films. The prepared films were transparent and therefore studied for application in photonics.

Quantum chemical computations and photophysical spectral features studies of two coumarin compounds.

An attempt was made to determine the ground state and excited state dipole moments and quantum chemical computations of two coumarin compounds, namely 3-hydroxy-3-[2-oxo-2-(2-oxo-2H-chromen-3-yl)-ethyl]-1,3-dihydro-indol-2-one (3HOCE) and 3-[2-(8-methoxy-2-oxo-2H-chromen-3-yl)-2-oxo-ethylidene]-1,3-dihydro-indol-2-one (3MOCE). Both compounds displayed a red shift with enhancement in solvent polarity. The larger excited state dipole moment indicated the more polar nature of the selected compounds in the excited state than in the ground state.

Green Synthesized Luminescent Carbon Nanodots for the Sensing Application of Fe Ions.

A single step hydrothermal mode of carbon nanodots (C-dots) synthesis from house-hold kitchen garbage such as snake gourd peel extract was successfully carried out. Characterisation of green synthesized C-dots were accomplished using UV-Visible and FTIR spectroscopy, Spectrofluorimetry and HRTEM. C-dots exhibited an appreciable quantum yield of 28.

EEG based multi-class seizure type classification using convolutional neural network and transfer learning.

Recognition of epileptic seizure type is essential for the neurosurgeon to understand the cortical connectivity of the brain. Though automated early recognition of seizures from normal electroencephalogram (EEG) was existing, no attempts have been made towards the classification of variants of seizures. Therefore, this study attempts to classify seven variants of seizures with non-seizure EEG through the application of convolutional neural networks (CNN) and transfer learning by making use of the Temple University Hospital EEG corpus.

Structural insights of metallo-beta-lactamase revealed an effective way of inhibition of enzyme by natural inhibitors.

Metallo-beta-lactamase (MBL) is a class of enzyme that catalyzes the hydrolysis of a broad range of beta-lactam antibiotics leading to the development of drug resistance in bacteria. Inhibition of MBL is therefore pursued as a potential way to increase the susceptibility of bacteria to beta-lactam antibiotics. In this study, MBL inhibitors from natural sources such as Eupalitin, Rosmarinic acid and Luteolin are used as a potential alternative to explore their effect.

A click chemistry approach for the synthesis of cyclic ureido tethered coumarinyl and 1-aza coumarinyl 1,2,3-triazoles as inhibitors of Mycobacterium tuberculosis H37Rv and their in silico studies.

Nucleoside bases like uracil, pharmacophoric triazoles and benzimidazolones have been used during the present study to design molecular matrices for antitubercular activity, employing Click Chemistry. Click triazoles 4/7/10 have been obtained by the reaction of 4-(Azidomethyl)-2H-chromen-2-ones/quinolin-2(1H)-ones 3 and propargyl ethers 2/6/9 derived from theophylline/6-methyl uracil/2-benzimidazolone respectively. In addition to spectral data structures have been confirmed by single crystal X-ray diffraction studies in case of uracil bis alkyne (6) and theophylline mono triazole (4c).

Estimation of structural and mechanical properties of Cadmium Sulfide/PVA nanocomposite films.

Cadmium Sulfide (CdS) nanoparticles have been synthesized by hydrothermal method, and dispersed in varying amounts by weight, in Poly Vinyl Alcohol (PVA) matrix. Subsequently, PVA/CdS nanocomposite films have been characterized and analyzed to estimate CdS nanoparticles effect on the properties of PVA films. Both mechanical and structural properties have been considered for the analysis.

Performance evaluation of DWT based sigmoid entropy in time and frequency domains for automated detection of epileptic seizures using SVM classifier.

The electroencephalogram (EEG) signal contains useful information on physiological states of the brain and has proven to be a potential biomarker to realize the complex dynamic behavior of the brain. Epilepsy is a brain disorder described by recurrent and unpredictable interruption of healthy brain function. Diagnosis of patients with epilepsy requires monitoring and visual inspection of long-term EEG by the neurologist, which is found to be a time-consuming procedure.

An Enhanced Symptom Clustering with Profile Based Prescription Suggestion in Biomedical application.

The application of data mining has been increasing day to day whereas the data base is also enhancing simultaneously. Hence retrieving required content from a huge data base is a critical task. This paper focus on biomedical engineering field, it concentrates on initial stage of database such as data preprocessing and cleansing to deal with noise and missing data in large biomedical data sets.

Synthesis and Computational Studies on Optoelectronically Important Novel Acridin-Isoindoline-1,3-Dione Derivatives.

A series of novel 2-(4-(acridin-9-ylamino)phenyl)isoindoline-1,3-dione derivatives were designed and synthesized namely 2-(4-(4-methoxyacridin-9-ylamino)phenyl)isoindoline-1,3-dione [S1], 2-(4-(3-chloroacridin-9ylamino)phenyl)isoindoline-1,3-dione [S2], 2-(4-(2-fluor oacridin-9ylamino)phenyl)isoindoline-1,3-dione [S3], 2-(4-(1,4-dichloroacridin-9ylamino) phenyl)isoindoline-1,3-dione [S4]. The photophysical, thermal properties of these compounds were characterized by the spectroscopic and thermographic method. The absorbance and fluorescence spectra of these derivatives were recorded in different solvents to understand the role of solute and solvent interaction.

Perovskite lanthanum aluminate nanoparticles applications in antimicrobial activity, adsorptive removal of Direct Blue 53 dye and fluoride.

In the present study, efficient adsorptive removal of fluoride and Direct Blue 53 (DB-53) dye solution on perovskite lanthanum aluminate (PLA) has been investigated. To characterize the prepared PLA with analytical techniques like FTIR, SEM, EDS, PXRD, PHZPC and BET. The influence of adsorbent dose (0.