Rakesh Parida
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View article: Insights into proton transfer dynamics in histidine tautomers of amyloid-β (1-40)
Insights into proton transfer dynamics in histidine tautomers of amyloid-β (1-40) Open
Histidine tautomerization within amyloid beta (Aβ) peptides is crucial in understanding the molecular mechanisms underlying Alzheimer's disease and its potential therapeutic strategies. Despite its significance, the proton transfer dynamic…
View article: Lutetium Texaphyrin–Celecoxib Conjugate as a Potential Immuno-Photodynamic Therapy Agent
Lutetium Texaphyrin–Celecoxib Conjugate as a Potential Immuno-Photodynamic Therapy Agent Open
Immuno-photodynamic therapy (IPDT) has emerged as a new modality for cancer treatment. Novel photosensitizers can help achieve the promise inherent in IPDT, namely, the complete eradication of a tumor without recurrence. We report here a s…
View article: CCDC 1947364: Experimental Crystal Structure Determination
CCDC 1947364: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Structural elucidation of N-amidothiourea derived from nicotinic acid hydrazide: A detailed study of its application as selective anion sensor
Structural elucidation of N-amidothiourea derived from nicotinic acid hydrazide: A detailed study of its application as selective anion sensor Open
A novel N-amidothiourea receptor (1), synthesized by the reaction of nicotinic acid hydrazide with phenyl isothiocyanate, was evaluated for the detection of fluoride, acetate, and hydroxide ions selectively over other anions. Receptor 1 wa…
View article: CCDC 2106310: Experimental Crystal Structure Determination
CCDC 2106310: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2106311: Experimental Crystal Structure Determination
CCDC 2106311: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2106312: Experimental Crystal Structure Determination
CCDC 2106312: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Organic and inorganic benzene transform to superalkalis: An in silico study
Organic and inorganic benzene transform to superalkalis: An in silico study Open
School of Applied Sciences and Humanities, Haldia Institute of Technology, Haldia-721 657, West Bengal, India Department of Chemistry, National Institute of Technology Rourkela, Rourkela-769 008, Odisha, India E-mail: [email protected]…
View article: Photo-Tunable Azobenzene-Anthraquinone Schiff Base Copper Complexes as Mediators for Laccase in Biofuel Cell Cathode
Photo-Tunable Azobenzene-Anthraquinone Schiff Base Copper Complexes as Mediators for Laccase in Biofuel Cell Cathode Open
Induced chirality (achiral target in chiral matrix such as proteins) sometimes play a useful role in evaluating supramolecular systems involving biomolecules. Enzymatic fuel cells, which generate electricity via enzymatic redox reactions a…
View article: Superhalogens as Building Blocks of Super Lewis Acids
Superhalogens as Building Blocks of Super Lewis Acids Open
Lewis acids play an important role in synthetic chemistry. Using first‐principle calculations on some newly designed molecules containing boron and organic heterocyclic superhalogen ligands, we show that the acid strength depends on the ch…
View article: Computational Design of Azo-anthraquinone Schiff Base Mn Complexes as Mediators for Biofuel Cell Cathode
Computational Design of Azo-anthraquinone Schiff Base Mn Complexes as Mediators for Biofuel Cell Cathode Open
The cathode of biofuel cell reduces molecular oxygen to water using four electrons, an enzyme of multicopper oxidase family, laccase, is contained, though its electron transfer efficiency from the electrode resulted in rate determining pro…
View article: Unique reactivity of B in B[Ge<sub>9</sub>Y<sub>3</sub>]<sub>3</sub>(Y = H, CH<sub>3</sub>, BO, CN): formation of a Lewis base
Unique reactivity of B in B[Ge<sub>9</sub>Y<sub>3</sub>]<sub>3</sub>(Y = H, CH<sub>3</sub>, BO, CN): formation of a Lewis base Open
Boron compounds usually exhibit Lewis acidity at the boron center due to the presence of vacant p-orbitals. But using Zintl-ion based groups (Ge9Y3, Y = H, CH3, BO, CN), we can alter Lewis acid nature of B to a Lewis base.
View article: CCDC 1899112: Experimental Crystal Structure Determination
CCDC 1899112: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Optical properties of chiral Schiff base MnII, CoII, NiII complexes having azobenzene
Optical properties of chiral Schiff base MnII, CoII, NiII complexes having azobenzene Open
Department of Chemistry, Faculty of Science, Tokyo University of Science, Tokyo 162-3601, Japan E-mail: [email protected] Department of Chemistry, National Institute of Technology, Rourkela-769 008, Odisha, India Department of Applied Sc…
View article: Structure, bonding and superalkali behaviour of organo-Zintl clusters X7Me4 (X = As, Sb and Bi)
Structure, bonding and superalkali behaviour of organo-Zintl clusters X7Me4 (X = As, Sb and Bi) Open
Theoretical Chemistry Laboratory, Department of Chemistry, National Institute of Technology, Rourkela-769 008, Odisha, India Department of Applied Sciences, Haldia Institute of Technology, Haldia-721 657, West Bengal, India E-mail: giris@n…