Search Results - "Malar, E. J. Padma"
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l-Alanine capping of ZnO nanorods: increased carrier concentration in ZnO/CuI heterojunction diode
Published in RSC advances (01-01-2018)“…ZnO nanorods were capped with a simple amino acid, , l-alanine to increase the carrier concentration and improve the performance of ZnO/CuI heterojunction…”
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DFT studies on the structure and stability of tetraaza macrocyclic nickel(II) complexes containing dicarbinolamine ligand moiety
Published in Journal of chemical sciences (Bangalore, India) (01-11-2019)“…Density functional theory calculations at M052X/6-311++G** level were performed to understand the structure and stability of Ni(II) tetraaza macrocyclic…”
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Study of behaviour of Ni(III) macrocyclic complexes in acidic aqueous medium through kinetic measurement involving hydrogen peroxide oxidation and DFT calculations
Published in Journal of chemical sciences (Bangalore, India) (01-02-2017)“…The Cu(II) ion-catalysed kinetics of oxidation of H 2 O 2 by [Ni III L] [where L = L 1 (cyclam) and L 2…”
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Synthesis, pharmacological screening, quantum chemical and in vitro permeability studies of N-Mannich bases of benzimidazoles through bovine cornea
Published in European journal of medicinal chemistry (01-05-2009)“…A novel series of N-Mannich bases of benzimidazole derivatives were synthesized and characterized by 1H NMR, IR spectral studies and elemental analysis. The…”
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Unprecedented formation of an N-benzamidobisthiourea derivative and its role in the formation of a new CT state specific towards fluoride ion
Published in Chemical communications (Cambridge, England) (01-01-2010)“…A novel N-benzamidobisthiourea derivative (1) was synthesized. Tuning of its emission from the locally excited (LE) state to the charge transfer (CT) state was…”
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A Novel Fluorophore with Dual Fluorescence: Local Excited State and Photoinduced Electron-Transfer-Promoted Charge-Transfer State
Published in Chemphyschem (20-08-2004)“…Absorption and emission spectra of 9‐N,N‐dimethylaniline decahydroacridinedione (DMAADD) have been studied in different solvents. The fluorescence spectra of…”
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Photophysical Studies on the Interaction of Acridinedione Dyes with Universal Protein Denaturant: Guanidine Hydrochloride
Published in Journal of fluorescence (01-09-2010)“…Photophysical studies of photoinduced electron transfer (PET) and non-PET based acridinedione dyes with guanidine hydrochloride (GuHCl) were carried out in…”
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Structural Stability in Dimer and Tetramer Clusters of l‑Alanine in the Gas Phase and the Feasibility of Peptide Bond Formation
Published in The journal of physical chemistry. B (28-06-2018)“…Stability in low-energy structures of the dimer and tetramer clusters of l-alanine in the gas phase is studied by accurate quantum chemical computations at the…”
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Lipid-Induced Conformational Transition of Amyloid β Peptide Fragments
Published in Journal of molecular neuroscience (01-07-2010)“…Conformational transition of soluble monomeric amyloid β-peptide (Aβ) into oligomeric and protofibrillar aggregates plays a key role in the pathogenesis of…”
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A Novel Tyrosine Derivative to Study Non-Covalent Assembly Involving C–H···O Hydrogen Bonding
Published in Bulletin of the Chemical Society of Japan (01-01-2002)“…A novel tyrosine derivative, 3-N-tosyl-4-p-tosyloxybenzyl oxazolidin-4-one (TTBO), C24H23NO7S2, was synthesized. It shows high affinity to chloroform in a…”
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Kinetic measurements and quantum chemical calculations on low spin Ni(II)/(III) macrocyclic complexes in aqueous and sulphato medium
Published in Journal of chemical sciences (Bangalore, India) (01-07-2015)“…Cu(II) ion catalyzed kinetics of oxidation of H 2 O 2 by [Ni III L 2 ] (L 2 = 1,8-bis(2-hydroxyethyl)-1,3,6,8,10,13-hexaazacyclotetradecane) was studied in…”
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Synthesis and characterization of NADH model compound modified β-cyclodextrin and its role as an energy donor in FRET
Published in Journal of photochemistry and photobiology. A, Chemistry. (01-02-2012)“…[Display omitted] ► An acridinedione modified β-cyclodextrin was synthesized and characterized. ► The modified compound well resembled the native acridinedione…”
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Acridinedione-functionalized gold nanoparticles and model for the binding of 1,3-dithiol linked acridinedione on gold clusters
Published in Tetrahedron letters (01-10-2010)“…DFT modeling reveals the feasibility of 1,2-mode of capping between 1,3-dithiol ligands and gold cluster leading to three conformers of covalently bound…”
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Conformational polymorphism and cellular toxicity of IAPP and βAP domains
Published in Journal of structural biology (01-05-2009)“…The principal component of the amyloid deposits in Alzheimer’s disease is the β-amyloid polypeptide, while in type II diabetes the deposits consist primarily…”
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Lipid-induced conformational transition of the amyloid core fragment Aβ(28-35) and its A30G and A30I mutants
Published in The FEBS journal (01-05-2008)“…The interaction of the β-amyloid peptide (Aβ) with neuronal membranes could play a key role in the pathogenesis of Alzheimer's disease. Recent studies have…”
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Do Penta- and Decaphospha Analogues of Lithocene Anion and Beryllocene Exist? Analysis of Stability, Structure, and Bonding by Hybrid Density Functional Study
Published in Inorganic chemistry (16-06-2003)“…Stability in penta- and decaphospha analogues of lithocene anion and beryllocene is investigated by complete structural optimization at the B3LYP/6-31G* level…”
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Aggregation and conformational studies on a pentapeptide derivative
Published in Biochimica et biophysica acta (01-11-2008)“…Most of the disease causing proteins such as beta amyloid, amylin, and huntingtin protein, which are natively disordered, readily form fibrils consisting of…”
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Structures and properties of excited states of benzene and some monosubstituted benzenes
Published in Journal of physical chemistry (1952) (01-08-1984)Get full text
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Density functional theory analysis of some triple-decker sandwich complexes of iron containing cyclo-P5 and cyclo-As5 ligands
Published in Theoretical chemistry accounts (01-09-2005)Get full text
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Can the cyclo ‐P 5 Ligand Introduce Basicity at the Transition Metal Center in Metallocenes? A Hybrid Density Functional Study on the cyclo ‐P 5 Analogues of Metallocenes of Fe, Ru and Os
Published in European journal of inorganic chemistry (05-07-2004)“…Abstract Density functional theory (DFT) calculations and natural population analysis (NPA) performed on metallocenes of Fe, Ru and Os triad reveal that the…”
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