Search Results - "Chowdhury, Joydeep"
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How the Charge Transfer (CT) Contributions Influence the SERS Spectra of Molecules? A Retrospective from the View of Albrecht's "A" and Herzberg-Teller Contributions
Published in Applied spectroscopy reviews (16-03-2015)“…The role of charge transfer (CT) contribution to the surface-enhanced Raman scattering (SERS) effect from the view of Albrecht's "A" and Herzberg-Teller (HT)…”
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Sustained and improved enzymatic activity of trypsin immobilized in the Langmuir Blodgett film of DPPC: A rapid enzyme sensor for the detection of Azocasein
Published in Materials chemistry and physics (01-03-2020)“…Immobilizing enzymes on biomimicking monolayer ultrathin films of phospholipids exhibit enhanced enzymatic activities (EAs) useful for biosensing applications…”
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Numerical Evaluations of an Uncemented Acetabular Component in Total Hip Arthroplasty: Effects of Loading and Interface Conditions
Published in Journal of biomechanical engineering (01-02-2023)“…Using finite element (FE) models of intact and implanted hemipelvises, the study aimed to investigate the influences of musculoskeletal loading and…”
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Convergence rates for kernel regression in infinite-dimensional spaces
Published in Annals of the Institute of Statistical Mathematics (01-04-2020)“…We consider a nonparametric regression setup, where the covariate is a random element in a complete separable metric space, and the parameter of interest…”
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Gold Nano-colloids impregnated in Langmuir-Blodgett Film of MoS2 flakes as SERS active platform: Fabrication and its application in Malathion detection
Published in Current applied physics (01-07-2024)“…The current work focuses on fabrication of Langmuir-Blodgett (LB) films of MoS2 flakes with impregnated gold nano particles (AuNPs) as a noble Surface enhanced…”
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Editorial: Surface enhanced raman scattering: Theory and applications
Published in Frontiers in chemistry (27-04-2023)Get full text
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Fabrication of gold nanoparticles tethered in heat-cooled calf thymus-deoxyribonucleic acid Langmuir-Blodgett film as effective surface-enhanced Raman scattering sensing platform
Published in Frontiers in chemistry (15-11-2022)“…SERS active substrate fabricated through self-assembly of Gold nanoparticles on the disjointed networks of Heat-cooled Calf Thymus DNA (HC-Ct DNA)…”
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Single point mutations at the S129 residue of α-synuclein and their effect on structure, aggregation, and neurotoxicity
Published in Frontiers in chemistry (26-05-2023)“…Parkinson's disease is an age-related neurological disorder, and the pathology of the disease is linked to different types of aggregates of α-synuclein or…”
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Physics behind the Barrier to Internal Rotation of an Acetyl Chloride Molecule: A Combined Approach from Density Functional Theory, Car–Parrinello Molecular Dynamics, and Time-Resolved Wavelet Transform Theory
Published in ACS omega (30-06-2018)“…The physics behind the barriers to internal rotation of acetyl chloride (AC) molecule has been reported. The AC molecule closely resembles the molecular…”
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Binding Interaction of Juglone with Lysozyme: Spectroscopic Studies Aided by In Silico Calculations
Published in Journal of photochemistry and photobiology. B, Biology (01-04-2019)“…Binding interactions between the drug Juglone (JUG) and Lysozyme (LYZ) have been explored in details from spectroscopic studies aided by in silico…”
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Predicting band gaps of ABN3 perovskites: an account from machine learning and first-principle DFT studies
Published in RSC advances (20-02-2024)“…The present paper is primarily focused on predicting the band gaps of nitride perovskites from machine learning (ML) models. The ML models have been framed…”
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Pressure induced modulations in the optoelectronic properties of Hg2Cl2 compound: Insights from the first-principle calculations
Published in Materials science & engineering. B, Solid-state materials for advanced technology (01-10-2022)“…[Display omitted] •Pressure driven structural phase transitions of Hg2Cl2 have been investigated.•Pressure induced electronic and optical properties of Hg2Cl2…”
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Predicting band gaps of ABN 3 perovskites: an account from machine learning and first-principle DFT studies
Published in RSC advances (14-02-2024)“…The present paper is primarily focused on predicting the band gaps of nitride perovskites from machine learning (ML) models. The ML models have been framed…”
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Temperature dependent phase transition and negative thermal expansion of Hg2Cl2 compound: insights from first-principle DFT and Born-Oppenheimer on the fly molecular dynamics calculations
Published in Phase transitions (03-06-2023)“…The paper is aimed to understand the key phonon modes that are responsible for the temperature dependent structural phase transition and negative thermal…”
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Existence of dimeric hydroxylamine-O-sulfonic acid: Experimental observations aided by ab initio, DFT, Car-Parrinello and Born – Oppenheimer on the fly dynamics
Published in Chemical physics letters (01-10-2019)“…[Display omitted] •The Raman and temperature dependent FTIR spectra of HOSA molecule have been recorded.•Complete vibrational analyses of the molecule have…”
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Understanding the structure and conformation of bovine hemoglobin in presence of the drug hydroxyurea: multi-spectroscopic studies supported by docking and molecular dynamics simulation
Published in Journal of biomolecular structure & dynamics (03-07-2021)“…Binding interaction between the small antitumor drug Hydroxyurea (HU) and Bovine Hemoglobin (BHb) has been explored in details from multi-spectroscopic and…”
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Structural and electronic properties of wide band gap charge transfer insulator Hg2Cl2: Insights from the first-principle calculations
Published in Materials chemistry and physics (15-01-2022)“…The structural and electronic properties of Mercurous Chloride (Hg2Cl2) in its tetragonal (I4/mmm) phase at room temperature have been investigated from the…”
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Predicting band gaps of ABN perovskites: an account from machine learning and first-principle DFT studies
Published in RSC advances (20-02-2024)“…The present paper is primarily focused on predicting the band gaps of nitride perovskites from machine learning (ML) models. The ML models have been framed…”
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