• Pt4+ as an active site for oxygen evolution reaction in La1-xSrxCo1-yPtyO3 

  Bisht, Anuj; Yadav, Pradeep Kumar; Dhakar, Shikha; Sharma, Sudhanshu (American Chemical Society, 2021-11)

  This study presents an investigation on the role of Pt4+ in Pt-doped La1?xSrxCoO3 (LSPtCO) perovskite for oxygen evolution reaction (OER) activity. LSPtCO with Pt in the +4 oxidation state shows the highest activity for ...
• Electrooxidation of hydrazine utilizing high-entropy alloys: assisting the oxygen evolution reaction at the thermodynamic voltage 

  Katiyar, Nirmal Kumar; Dhakar, Shikha; Parui, Arko; Gakhad, Pooja; Singh, Abhishek Kumar; Biswas, Krishanu; Tiwary, Chandra Sekhar; Sharma, Sudhanshu (American Chemical Society, 2021-11)

  Hydrazine electrooxidation is an important reaction as it assists in decreasing the OER overvoltage. Herein, we report the utilization of a high-entropy nanocatalyst alloy for the electrooxidation of hydrazine. The ...
• BODIPY-peptide conjugate: synthesis, photo-physical and cell viability studies 

  Chavda, Jaydeepsinh; Bhavsar, Krishna; Gupta, Sharad; Gupta, Iti (Wiley, 2021-10)

  The synthesis and biological studies of BODIPY-GPR peptide conjugate (BD-2) are reported. As compared to the parent BODIPY (BD-1), the peptide linked BD-2showed blue shifted absorption and emission with excellent Stokes ...
• DFT/TD-DFT study to decipher the fluoride induced ring opening process of spiropyran 

  Kediya, Siddhiben; Manhas, Anu; Lone, Mohsin Y.; Jha, Prakash C. (Elsevier, 2022-01)

  DFT/TD-DFT methods were used to determine the fluoride anion sensing mechanism of 3',6'-Bis(tert-butyldimethylsilyloxy)spiro[benzo[f]chromene3,9'ffuorene], abbreviated as SP. The description of ring opening in the ground ...
• Establishing surface charge as a key control parameter for linker-driven tip-specific ordering of anisotropic gold nanoparticles 

  Kar, Ashish; Singh, Manjeet; Paital, Diptiranjan; Khatua, Saumyakanti (American Chemical Society, 2021-11)

  Here, we show that nanoparticles' surface charge is a key factor that determines their tip-specificity in a covalently linked assembly of anisotropic plasmonic nanoparticles. We developed a strategy to controllably tune ...
• Swertiamarin mitigates nephropathy in high-fat diet/streptozotocin-induced diabetic rats by inhibiting the formation of advanced glycation end products 

  Parwani, Kirti; Patel, Farhin; Bhagwat, Pranav; Dilip, Haritha; Patel, Dhara; Thiruvenkatam, Vijay; Mandal, Palash (Taylor and Francis, 2021-10)

  Context: The molecular mechanism by which Swertiamarin (SM) prevents advanced glycation end products (AGEs) induced diabetic nephropathy (DN) has never been explored. Objective:To evaluate the effect of SM in preventing ...
• Stilbene stilbene shining bright: ?-Cyanostilbenes as functional organic materials 

  Kumari, Beena; Kanvah, Sriram (NISCAIR, 2019-02)

  Conjugated organic molecules with suitable donor or acceptor substituents have evolved as an attractive platform for optoelectronic or biological applications. cyanostilbenes, due to their characteristic elastic twist, ...
• In vitro and in silico evaluation of structurally diverse benzyl-pyrrolidine-3-ol analogues as apoptotic agents via caspase activation 

  Naqvi, Tahira; Amin, Asif; Ali, Shujat; Lone, Mohsin Y.; Bashir, Nadeem Khan, Shafi U.; Htar, Thet T.; Rizvi, Masood Ahmad (Slovenian Chemical Society, 2021-09)

  The activation of caspases is central to apoptotic process in living systems. Defects in apoptosis have been implicated with carcinogenesis. Need to develop smart agents capable of inducing apoptosis in tumor cells is ...
• Structural insights of three 2,4-disubstituted dihydropyrimidine-5-carbonitriles as potential dihydrofolate reductase inhibitors 

  Al-Wahaibi, Lamya H.; Shaik, Althaf; Elmorsy, Mohammed A.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago; Thamotharan, Subbiah; Thiruvenkatam, Vijay; El-Emam, Ali A. (MDPI, 2021-05)

  In this report, we describe the structural characterization of three 2,4-disubstituted-dihydropyrimidine-5-carbonitrile derivatives, namely 2-{[(4-nitrophenyl)methyl]sulfanyl}-6-oxo-4-propyl-1,6-dihydropyrimidine-5-carbonitrile ...
• meso-Carbazole substituted palladium porphyrins: efficient catalysts for visible light induced oxidation of aldehydes 

  Janaagal, Anu; Pandey, Vijayalakshmi; Sabharwal, Sudhir; Gupta, Iti (Wiley, 2021-04)

  The A3B and A2B2 type porphyrins having N-butylcarbazole and p-cyanophenyl groups are synthesized and characterized. Their palladium complexes have also been prepared and utilized as catalysts for the photo-oxidation ...
• Methacrylamide based antibiotic polymers with no detectable bacterial resistance 

  Tyagi, Anju; Mishra, Abhiji (Royal Society of Chemistry, 2021-02)

  The growing number of multidrug-resistant pathogens is a major healthcare concern. In search of alternatives to antibiotics, synthetic mimics of antimicrobial peptides (SMAMPs) in the form of antimicrobial polymers have ...
• Phosphorylation-induced structural reorganization in Tau-paired helical filaments 

  Rani, Lata; Mallajosyula, Sairam S. (American Chemical Society, 2021-05)

  Taupathies involve the deposition of abnormal tau protein into neurofibrillary tangles (NFTs) in the human brain. The abnormally hyperphosphorylated tau dissociates from microtubules and forms insoluble aggregates known ...
• Molecular Docking and Molecular Dynamics Simulation Studies of Quinoline-3-Carboxamide Derivatives with DDR Kinases–Selectivity Studies towards ATM Kinase 

  Ravi, Srimadhavi; Priya, Bhanu; Dubey, Pankaj; Thiruvenkatam, Vijay; Kirubakaran, Sivapriya (MDPI, 2021-04)

  Quinoline-3-carboxamides are an essential class of drug-like small molecules that are known to inhibit the phosphatidylinositol 3-kinase-related kinases (PIKK) family kinases. The quinoline nitrogen is shown to bind to the ...
• Flexible ligand in a molecular Cu electrocatalyst unfurls bidirectional O 2 /H 2 O conversion in water 

  Ali, Afsar; Prakash, Divyansh; Majumder, Piyali; Ghosh, Soumya; Dutta, Arnab (American Chemical Society, 2021-04)

  The development of a bidirectional catalyst for oxygen reduction and water oxidation is the key to establishing sustainable energy transduction from renewable resources. We report a stable homogeneous molecular copper ...
• Synthesis, crystal structure, electronic structure and catalytic properties of Ni3GaSb 

  Roy, Nilanjan; Kumari, Saroj; Sikdar, Ritobroto; Sharma, Anjali; Harshit; Ghanta, Sivaprasad; Sharma, Sudhanshu; Despande, Parag. A.; Jana, Partha Pratim (Wiley, 2021-03)

  Single crystalline titled phase is synthesized by conventional high temperature solid state synthesis. Crystal structure of Ni 3 GaSb is re?investigated by single crystal X?ray diffraction and energy dispersive X?ray ...
• Direct catalytic asymmetric synthesis of disubstituted 4-oxocyclohexanecarbaldehydes from acetone and cinnamaldehyde derivatives 

  Maurya, Vidyasagar; Kutwal, Mahesh S.; Appayee, Chandrakumar (American Chemical Society, 2021-03)

  A first catalytic asymmetric reaction of acetone with cinnamaldehyde for the synthesis of disubstituted 4-oxocyclohexanecarbaldehyde is developed. A variety of substituted cinnamaldehydes are successfully tested under the ...
• Supramolecular architecture in sulfonylurea, sulfonyldiurea and sulfonyltriurea drugs: synthesis, X-ray structure and Hirshfeld surface analysis 

  Mahapatra, Amarjyoti Das; Shaik, Althaf; Thiruvenkatam, Vijay; Datta, Bhaskar (Elsevier, 2021-02)

  Sulfonylureas provide a useful motif for carrying donor and acceptor sites capable of hydrogen bonding. These are a prominent class of therapeutic agents in the pharmaceutical industry. However, the use of aryl sulfonyl ...
• Polarization influences the evolution of nucleobase-graphene interactions 

  H., Hemanth; Mallajosyula, Sairam S. (Royal Society of Chemistry, 2021-02)

  In recent years, graphene has attracted attention from researchers as an atomistically thin solid state material for the study on the self-assembly of nucleobases. Non-covalent interactions between nucleobases and graphene ...
• Competitive Effect of Acceptor Substitutions on the Opto-electronic features of triphenylamine cored di ?-cyanostilbene Derivatives 

  Kumari, Beena; Paramasivam, Mahalingavelar; Mukherjee, Tarushyam; Khandelwal. Shikha; Dutta, Arnab; Kanvah, Sriram, (Royal Society of Chemistry, 2021-01)

  Three novel triphenylamine cored di-branched ?-cyanostilbenes with different electron-acceptors [H (neutral), CF3, and NO2)] were synthesized. All the compounds exhibited a distinct positive solvatochromism dependent on ...
• Near infrared emitting molecular rotor based on merocyanine for probing the viscosity of cellular lipid environments 

  Mukherjee, Tarushyam; Martinez-Sanchez, Ramon J.; Fam, Kyong T.; Bou, Sophie; Richert, Ludovic; Garnier, Delphine; Mely, Yves; Kanvah, Sriram; Klymchenko, Andrey S.; Collot, Mayeul (Royal Society of Chemistry, 2021-01)

  Fluorogenic molecular rotors have demonstrated their efficiency to probe viscous environments in various cell compartments. Green emitting BODIPY rotors are non-charged and thus are widely used in bioimaging. However, ...

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