• Mitochondria targeted AIE probes for cancer phototherapy 

  Ingle, Jaypalsing; Basu, Sudipta (American Chemical Society, 2023-03)

  In recent years, mitochondrion (powerhouse of the cells) gained lots of interest as one of the unorthodox targets for futuristic cancer therapy. As a result, novel small molecules were developed to damage and image ...
• Imaging of mitochondria/lysosomes in live cells and C. elegans 

  Singh, Deepmala; Regar, Ramprasad; Soppina, Pushpanjali; Soppina, Virupakshi; Kanvah, Sriram (Royal Society of Chemistry, 2023-03)

  Two rhodamine-phenothiazine conjugates, RP1 and RP2, were synthesized, and their photophysical properties, subcellular localization, and photocytotoxicity were investigated. We observed robust localization of RP1 in ...
• Synthesis, kinetics and cellular studies of new phenothiazine analogs as potent human-TLK inhibitors 

  George, Johnson Delna J. K.; Hussain, Javeena; Bhoir, Siddhant; Chandrasekaran, Vaishali; Sahrawat, Parul; Hans, Tanya; Khalil, Md Imtiaz; Benedetti, Arrigo De; Thiruvenkatam, Vijay; Kirubakaran, Sivapriya (Royal Society of Chemistry, 2023-01)

  The alterations in the expression patterns of protein kinases often implicate human cancer initiation and progression. Human tousled-like kinases (TLKs), both TLK1/1B and TLK2, are evolutionary kinases found in cell signaling ...
• Rational design of non-fullerene acceptors via side-chain and terminal group engineering: a computational study 

  Khatua, Rudranarayan; Das, Bibhas; Mondal, Anirban (Royal Society of Chemistry, 2023-03)

  We investigated the optoelectronic and photovoltaic properties of three types of acceptor-donor-acceptor-based non-fullerene acceptor (NFA) molecules for organic solar cell (OSC) applications. Density functional theory and ...
• Enhancing light emission near low-refractive-index contrast nanostructures via mirror-symmetry breaking 

  Vyas, Hardik; Kumar, Amit; Hegde, Ravi S. (Society of Photo-optical Instrumentation Engineers, 2022-10)

  A platform of recent interest and large application potential is one in which the light emitters are directly integrated with an optical metasurface. Plasmonic metals and high-refractive-index, dielectric Mie metasurfaces ...
• Capturing charge and size effects of ions at the graphene-electrolyte interface using polarizable force field simulations 

  H., Hemanth; Mewada, Rohan; Mallajosyula, Sairam S. (Royal Society of Chemistry, 2023-02)

  We present a systematic investigation capturing the charge and size effects of ions interacting with a graphene surface using polarizable simulations. Our results utilizing the Drude polarizable force field (FF) for ions, ...
• Improving the synthetic H2 production catalyst design strategy with the neurotransmitter dopamine 

  Ghorai, Santanu; Khandelwal, Shikha; Das, Srewashi; Rai, Surabhi; Guria, Somnath; Majumder, Piyali; Dutta, Arnab (Royal Society of Chemistry, 2022-12)

  The strategic incorporation of the neurotransmitter dopamine around a cobaloxime core resulted in excellent electrocatalytic (rate 8400 s-1) and photocatalytic H2 production under neutral aqueous conditions. The influence ...
• Oxidation of aldehydes to carboxylic acids over geopolymer supported CuO 

  Upadhyay, Jyoti; Misra, Swayam Prabha; Irusta, Silvia; Sharma, Sudhanshu; Deshpande, Parag A. (Elsevier, 2023-02)

  This article focuses on the synthesis of copper (II) oxide impregnated mesoporous geopolymer (CuO/Geo) catalyst and its catalytic activity for the oxidation of aldehydes to the corresponding carboxylic acids. CuO/Geo was ...
• The implications of coupling an electron transfer mediated oxidation with a proton coupled electron transfer reduction in hybrid water electrolysis 

  Mondal, Biswajit; Dinda, Soumitra; Karjule, Neeta; Mondal, Sanjit; Kottaichamy, Alagar Raja; Volokh, Micahel; Shalom, Menny (Wiley, 2022-12)

  Electrolysis of water is a sustainable route to produce clean hydrogen. Full water-splitting requires a high applied potential, in part because of the pH-dependency of the H2 and O2 evolution reactions. The HER and OER are ...
• Ethanol formation via CO2 electroreduction at low overvoltage over exposed (111) plane of CuO thin film 

  Dhakar, Shikha; Nama, Jatin; Kumari, Varsha; Khatua, Rudranarayan; Mondal, Anirban; Sharma, Sudhanshu (Elsevier, 2023-02)

  In this study, we fabricated CuO thin films using the sol-gel spin coating method. The fabricated thin films were utilized for electrocatalytic reduction of CO2 (CO2ER). Fabrication of thin film is vital to provide a large ...
• Synbiotic intervention ameliorates oxidative stress and gut permeability in an in vitro and in vivo model of ethanol-induced intestinal dysbiosis 

  Patel, Dhara; Desai, Chirayu; Singh, Deepmala; Soppina, Virupakshi; Parwani, Kirti; Patel, Farhin; Mandal, Palash (MDPI, 2022-12)

  Alcoholic liver disease (ALD) alters gut microbiota and tight junctions, causing bacterial components to enter the portal vein and induce oxidative stress-induced inflammation in the liver. Only corticosteroids and liver ...
• Quantitative electrocatalytic upcycling of polyethylene terephthalate plastic and its oligomer with a cobalt-based one-dimensional coordination polymer having open metal sites along with coproduction of Hydrogen 

  Behera, Snehanjali; Dinda, Soumitra; Saha, Rajat; Mondal, Biswajit (American Chemical Society, 2022-12)

  Polyethylene terephthalate (PET) is the most used polymer, but its natural degradation kinetics is sluggish; therefore, its disposal poses an environmental threat. Here, we demonstrate electrocatalytic PET upcycling with ...
• Banana peel powder as an effective multilayer adsorbent of ammonium ions 

  Singh, Rinki; Datta, Bhaskar (American Chemical Society, 2022-12)

  The recovery of ammonium ions or ammonia from wastewater using bioadsorbents offers an attractive sustainable route to nitrogen reuse and environmental remediation. In this work, we have studied the ability of banana peel ...
• Impact of polarization on the ring puckering dynamics of hexose monosaccharides 

  J. N., Chythra; Mallajosyula, Sairam S. (American Chemical Society, 2023-01)

  Analysis of crystal structures of hexose monosaccharides α-d-mannose (α-MAN), β-d-mannose (β-MAN), α-d-glucose (α-GLC), β-d-glucose (β-GLC), α-d-galactose (α-GAL), β-d-galactose (β-GAL), α-d-altrose (α-ALT), β-d-altrose ...
• Quantifying photocatalytic and photothermal effect in the plasmon enhanced catalytic WOR activity of AuTNP@MnOx core-shell nanoconstruct 

  Paital, Diptiranjan; Bansal, Tarun; Kaushik, Tannu; Joshi, Gayatri; Khatua, Saumyakanti (2022-11-27)
• Imaging of lipid droplets using coumarin fluorophores in live cells and C. elegans 

  Singh, Deepmala; Regar, Ramprasad; Soppina, Pushpanjali; Soppina, Virupakshi; Kanvah, Sriram (Elsevier, 2022-12)

  Fluorescent probes offer incredibly effective tools for visualizing the dynamic morphology of lipid droplets (LDs) and investigating their physiological interactions. In this work, we have utilized solvatochromic coumarin ...
• Electronic structure analysis and synthesis of Nitroso N-Heterocyclic Imines 

  Ovais Dar, Mohammad; Kapse, Rahul Y.; Dubey, Gurudutt; Singh, Tejender; Thiruvenkatam, Vijay; Bharatam, Prasad V. (Wiley, 2022-11)

  Nitroso NHIs (NNHIs) are important class of compounds with various therapeutic effects. Quantum chemical analysis has been carried on various NNHIs. Electronic structure analysis suggests that the NNHIs are species with ...
• A comparative study on photophysics of meso-substituted mono- and bis-BODIPY carbazoles 

  Anjana, E.; Chavda, Jaydeepsinh; Gupta, Iti; Mishra, Ashok Kumar (Elsevier, 2023-03)

  A comparative study of the photophysics of mono- and bis-BODIPY (BDP) substituted N-butylcarbazoles (CBZ): CBZ-BDP and CBZ-bisBDP has been carried out. The longest wavelength electronic absorption band at ?495 nm corresponds ...
• A2B2 type porphyrins with meso-donor groups: synthesis, X-ray structures, DFT studies and photocatalytic application using sunlight 

  Pandey, Vijayalakshmi; Janaagal, Anu; Jain, Ashmita; Mori, Shigeki; Gupta, Iti (Elsevier, 2023-01)

  A framework based on a class of Abelian gauge symmetries is proposed in which the masses of only the third generation quarks and leptons arise at the tree level. The fermions of the first and second families receive their ...
• Modeling chemical reactions in alkali carbonate-hydroxide electrolytes with deep learning potentials 

  Mondal, Anirban; Kussainova, Dina; Yue, Shuwen; Panagiotopoulos, Athanassios Z. (American Chemical Society, 2022-10)

  We developed a deep potential machine learning model for simulations of chemical reactions in molten alkali carbonate-hydroxide electrolyte containing dissolved CO2, using an active learning procedure. We tested the deep ...

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