http://localhost:80/xmlui/handle/123456789/1074 2026-04-05T17:20:41Z 2026-04-05T17:20:41Z Roy Chowdhury, Ruma http://localhost:80/xmlui/handle/123456789/8629 2023-12-08T04:20:55Z 2023-01-01T00:00:00Z

Title: Cytotoxic profile study, DNA and protein binding activity of a new dinuclear nickel(II) thiocyanato complex Authors: Roy Chowdhury, Ruma Abstract: One new binuclear Ni(II) complex with the molecular formula [Ni2(L)2(SCN)2(μ-SCN)2] (1) has been synthesized using a tridentate Schiff base ligand (L), formed by the condensation between quinoline-2-carboxaldehyde and N,N-dimethylethylenediamine. Complex 1 was characterized by FT-IR, UV-vis, and ESI-mass spectroscopy techniques, as well as elemental analysis, cyclic voltammetry, and single-crystal X-ray crystallography. The X-ray diffraction analysis of 1 indicated a centrosymmetric complex with nickel(II) centers in a distorted octahedral geometry and double bridged by thiocyanate anions via end-to-end (μ-1,3) fashion. The interaction of 1 with CT-DNA was explored by UV-vis and fluorescence spectroscopy, viscosity and cyclic voltammetry which indicated a moderate intercalation of the complex with CT-DNA. The protein binding study of 1 with BSA and HSA was investigated by various spectroscopic methods and indicated a static quenching process. In addition, 1 showed prominent in vitro cytotoxic activity against human melanoma (A375) and human breast carcinoma (MDA-MB-231) cell lines under the identical condition with IC50 value of 149.06 and 124.22 µM, respectively. Description: https://doi.org/10.1080/00958972.2022.2140408

2023-01-01T00:00:00Z De, Abhishek http://localhost:80/xmlui/handle/123456789/7397 2023-03-15T10:29:44Z 2022-11-01T00:00:00Z

Title: Featured Contributes of Pd–Co-Decorated MnO2 NPs toward ORR Kinetics in Low-Temperature Fuel Cells: Outstanding Electrocatalysis Eliminating Pt and Carbon from Electrodes Authors: De, Abhishek Abstract: The present study explores the contributory benefits of transition metals (TM) and their oxides (TMO) along with metal NPs toward oxygen reduction reaction (ORR) in alkaline medium for low-temperature direct ethanol fuel cells (DEFCs). The metal–co-metal (Pd–Co) NPs were casted over a TMO support, α-MnO2, by a green synthetic approach without using any reducing agent, whereby the introduction of >30% Co in the Pd matrix formulates the optimal catalyst composition Pd69Co31/MnO2 that not only reduces the cost and eliminates the carbon support but also ensures the catalytic efficacy for the binary system. The studies involved morphology determined through electron microscopy and electrochemical characterization with the help of potentiodynamic polarization and rotating disk electrode─rotating ring–disk electrode techniques. The diminution of ORR overvoltage by ∼85 mV with respect to Pd/C establishes the catalytic pre-eminence of the nanostructured Pd69Co31/MnO2 manifested by the low yield of H2O2 in ORR and an appreciable power density output of 45.5 mW/cm2 for a single test cell at 40 °C. The autocatalytic peroxide removal capacity of the MnO2 support and synergistic interaction within Pd–Co NPs for driving the ORR catalytic ability to a substantial level are the testaments to the major utility of the combinatorial (metal–TM–TMO) ensemble. Description: doi:10.1021/acs.energyfuels.2c03186

2022-11-01T00:00:00Z Dinda, Enakshi http://localhost:80/xmlui/handle/123456789/7396 2023-03-15T09:45:55Z 2021-01-01T00:00:00Z

Title: The emergence of the C–H functionalization strategy in medicinal chemistry and drug discovery Authors: Dinda, Enakshi Abstract: Owing to the market competitiveness and urgent societal need, an optimum speed of drug discovery is an important criterion for successful implementation. Despite the rapid ascent of artificial intelligence and computational and bioanalytical techniques to accelerate drug discovery in big pharma, organic synthesis of privileged scaffolds predicted in silico for in vitro and in vivo studies is still considered as the rate-limiting step. C–H activation is the latest technology added into an organic chemist's toolbox for the rapid construction and late-stage modification of functional molecules to achieve the desired chemical and physical properties. Particularly, elimination of prefunctionalization steps, exceptional functional group tolerance, complexity-to-diversity oriented synthesis, and late-stage functionalization of privileged medicinal scaffolds expand the chemical space. It has immense potential for the rapid synthesis of a library of molecules, structural modification to achieve the required pharmacological properties such as absorption, distribution, metabolism, excretion, toxicology (ADMET) and attachment of chemical reporters for proteome profiling, metabolite synthesis, etc. for preclinical studies. Although heterocycle synthesis, late-stage drug modification, 18F labelling, methylation, etc. via C–H functionalization have been reviewed from the synthetic standpoint, a general overview of these protocols from medicinal and drug discovery aspects has not been reviewed. In this feature article, we will discuss the recent trends of C–H activation methodologies such as synthesis of medicinal scaffolds through C–H activation/annulation cascade; C–H arylation for sp2–sp2 and sp2–sp3 cross-coupling; C–H borylation/silylation to introduce a functional linchpin for further manipulation; C–H amination for N-heterocycles and hydrogen bond acceptors; C–H fluorination/fluoroalkylation to tune polarity and lipophilicity; C–H methylation: methyl magic in drug discovery; peptide modification and macrocyclization for therapeutics and biologics; fluorescent labelling and radiolabelling for bioimaging; bioconjugation for chemical biology studies; drug-metabolite synthesis for biodistribution and excretion studies; late-stage diversification of drug-molecules to increase efficacy and safety; cutting-edge DNA encoded library synthesis and improved synthesis of drug molecules via C–H activation in medicinal chemistry and drug discovery.

2021-01-01T00:00:00Z Jana, Atanu Dutta, Jayati http://localhost:80/xmlui/handle/123456789/7394 2023-03-15T05:10:57Z 2020-01-01T00:00:00Z

Title: Self-controlled photo-degradation in coupled chalcogenide Bi–S–Se film for solar cell applications Authors: Jana, Atanu; Dutta, Jayati Abstract: The present investigation involves synthesis and photo-electrochemical characterizations of the multi-chalcogenide Bi–S–Se matrices along with their binary counterparts, low energy Bi2Se3 and relatively high energy Bi2S3 semiconductors. These films were developed on FTO glass substrates through simple and cost effective galvanostatic co-deposition technique. Bi2Se3 films by virtue of its considerably high absorption coefficient and carrier density, exhibit superior photo-conversion efficiency, however, suffers from inferior stability compared to Bi2S3. In order to achieve desired photo-electrochemical properties including a reasonable compromise between PCE and stability of the materials, different compositions of nanocrystalline Bi–S–Se film matrices were subjected to various physicochemical and electrochemical characterization techniques. The self-controlled particle size/growth during the composite formulation has been reflected in FE-SEM and XRD analysis of the set of films and a modulated band gap ranging between 1.13 and 1.34 eV was obtained depending on the S loading in the matrices. Electrochemical impedance spectroscopic measurements elucidate on the charge transfer resistance at the electrode-electrolyte interface and the Mott-Schottky plots reveal the n-type nature of the synthesized films validating their suitability as photo-anode. Although the bare Bi2Se3 films display better performance in terms of photo-current output, the Bi–S–Se composite matrices prove their candidature as potentially durable anode material in solar cells, as justified by successive Tafel and chronoamperometric analysis. The performance output of the photo-anodes demonstrate that at low-level of sulfur in the sulfoselenide matrices, the conversion efficiency was reduced to 2.53% from that of Bi2Se3 (3.65%); however, the fill factor was raised to 26.32% showing better photo-response with improved photo absorption capability, and most strikingly, the photo degradation was substantially arrested by almost 10-folds in the composite matrices.

2020-01-01T00:00:00Z