Jyoti Roy Choudhuri

Scopus Publications

Experimental and computational investigation of an expired oxpentifylline as a corrosion shielding agent for mild steel in a simulated marine environment
G.A. Swetha, H.P. Sachin, K.H. Sudheer Kumar, Jyoti Roy Choudhuri, Narasimha Raghavendra, Jyothi C. Abbar
Next Materials, 2026
The work presented highlights the corrosion mitigation function of expired Oxpentifylline and its role in mitigating mild steel from corrosion in an artificial sea environment. Expired Oxpentifylline inhibition performance on mild steel protection was examined through practical (weight loss, polarization, and impedance analysis), morphological (FTIR, SEM, EDAX, AFM, and Contact angle), and computational methods. According to the data, expired Oxpentifylline drug exhibits significant anti-corrosion properties at room temperature, showing the highest efficiency of 92% at 300 ppm. The temperature investigations show that the inhibitors' interaction is often described by the adsorption isotherm, as the inhibitor complies with the Langmuir isotherm. Studies on polarisation suggest that this green corrosion inhibitor has a mixed mode of action. The standard enthalpy of adsorption (ΔH° ads ) was determined to be −17 kJ/mol, indicating that oxpentifylline is physically adsorbed onto the steel surface. Furthermore, the greater value of activation energy (E a * = 19.09 kJ mol −1 ) observed for steel in the presence of 300 ppm of oxpentifylline, compared to the blank solution, further supports the predominance of physisorption mechanism. These findings have also been linked to computational studies (DFT, MC simulation, and sorption loading). The experimental findings were consistent with the theoretical parameters. A complete agreement was reached regarding the anticorrosion efficiencies calculated using the different methodologies. All the above results lay the groundwork for creating green inhibitors for mild steel.
Real-time PCR assay for quantitative detection of cow milk adulterants in camel milk
Soumyabrato Saha, Basanti Jyotsana, Ved Prakash, Sagar Ashok Khulape, Swagatika Priyadarsini, Rakesh Ranjan, Ramesh Kumar Dedar, Jyoti Roy Choudhuri
International Dairy Journal, 2026
Unlocking the corrosion inhibition potential of expired chlorzoxazone on mild steel in acidic media: A synergistic approach with electrochemical, surface and computational insights
Jyothi C. Abbar, G.A. Swetha, Ravichandra Rangappa, Diksha Priyadarshini, Yuvarajgouda Patil, Manjunath Megalamani, G. Nagaraju, Jyoti Roy Choudhuri
Materials Today Communications, 2025
Benzoic acid-based supramolecular synthons as a corrosion inhibitor for mild steel in 1.0 M HCl and H2SO4 environments
H. Sadhana Upadhya, Shetty S. Kshama, K. R. Vishwas, K. Swamynathan, Jyoti Roy Choudhuri, Srilatha Rao P.
Canadian Metallurgical Quarterly, 2025
The study explores the use of carboxylic acids as corrosion inhibitors for mild steel in acidic solutions (1 M HCl and 1 M H2SO4). The hydrogen bonding ability of these acids forms a protective film on the steel surface, reducing corrosion. The effect of hydrophobic side chain length was also examined, with both short and long chains influencing inhibition efficiency. Electrochemical methods like potentiodynamic polarisation (PDP)and electrochemical impedance spectroscopy (EIS) showed inhibition efficiencies of 97% in 1.0 M HCl and 99% in 1.0 M H2SO4. Surface studies using scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), and contact angle (CA) measurements indicated a smoother surface and increased contact angle, suggesting effective corrosion inhibition. Theoretical studies supported the experimental results, showing that the inhibitors adsorb on the steel surface, preventing corrosion. These findings highlight the effectiveness of carboxylic acids in protecting mild steel from corrosion in acidic environments.
Corrosion mitigation of mild steel by dimethylol propionic acid: an experimental and theoretical insights with in-vitro cytotoxicity testing on L929 cells
Bincy Rose Vergis, Srilatha Rao, Jyoti Roy Choudhuri, Mallikarjun B. Chougala, G. K. Prashanth, A. S. Sowmyashree, M. Mahadeva Swamy
Canadian Metallurgical Quarterly, 2025
Mesomorphic cyanobiphenyl appended thiols as anti-corrosive materials: Electrochemical and theoretical investigations
S Kshama Shetty, K Swamynathan, Jyoti Roy Choudhuri, K Shwetha, Sadhana H Upadhya, Sandeep Kumar
Journal of Chemical Sciences, 2024
Performance of an anticonvulsant drug, expired gabapentin, on zinc corrosion in an acidic environment
G. A. Swetha, H. P. Sachin, Jyoti Roy Choudhuri
Emergent Materials, 2023
α-graphyne as a promising anode material for Na-ion batteries: a first-principles study
Tavinder Singh, Jyoti Roy Choudhuri, Malay Kumar Rana
Nanotechnology, 2023
Lithium-ion batteries (LIBs) have emerged as a technological game-changer. Due to the rising price of lithium and the environmental concerns LIBs pose, their use is no longer viable. Sodium (Na) may be the best contender among the alternatives for replacing lithium. Conventional graphite has a limited capacity for Na storage. Hence, α-graphyne, an allotrope of carbon, was studied here as a potential anode material for Na-ion batteries (NIBs), employing density functional theory. In-plane Na atom adsorption results in a semi-metallic to metallic transition of α-graphyne. Electronic transport calculations show an increase in current after Na adsorption in graphyne. The successive adsorption of Na atoms on the surface of graphyne leads to a theoretical capacity of 1395.89 mA h g−1, which is much greater than graphite. The average open circuit voltage is 0.81 V, which is an ideal operating voltage for NIBs. Intra- and inter-hexagon Na diffusions have very low energy barriers of 0.18 eV and 0.96 eV, respectively, which ensure smooth operation during charge/discharge cycles. According to this study, the α-graphyne monolayer thus has the potential to be employed as an anode in NIBs.
Experimental and theoretical investigation on the anti-corrosive potential of potassium ethyl xanthogenate for corrosion of mild steel in acidic media
Saniya Fatima, S Kshama Shetty, Jyoti Roy Choudhuri, K Swamynathan, K Shwetha, Sandeep Kumar
Journal of Chemical Sciences, 2022
Metal Oxide–Carbon Nanocomposites for Electrochemical Storage
Jyoti Roy Choudhuri
Energy Environment and Sustainability, 2022
Electrochemistry of Organic Electrodes
Jyoti Roy Choudhuri, Jyothi C. Abbar
Engineering Materials, 2022
Zero dimensional iodobismuthate: Synthesis and optical property
Souvik Pandey, Jyoti Roy Choudhuri
Materials Today Proceedings, 2021
Zero-dimensional bromobismuthate: Synthesis and characterization
Jyoti Roy Choudhuri, Souvik Pandey
Materials Today Proceedings, 2021
Wetting transition of a nanodrop on switchable hydrophilic-hydrophobic surfaces
J. Roy Choudhuri, P. Nath
Surfaces and Interfaces, 2020
Polyoxotungstate ([PW11O39]7-) immobilized on mesoporous polymer for selective liquid-phase oxidation of alcohols using H2O2
Sathyapal R. Churipard, Kempanna S. Kanakikodi, Jyoti Roy Choudhuri, Sanjeev P. Maradur
Rsc Advances, 2020
Structure, polarity, dynamics, and vibrational spectral diffusion of liquid–vapour interface of a water–methanol mixture from first principles simulation using dispersion corrected density functional
Jyoti Roy Choudhuri
Indian Journal of Physics, 2018
Effects of dispersion interactions on the structure, polarity, and dynamics of liquid-vapor interface of an aqueous NaCl solution: Results of first principles simulations at room temperature
Jyoti Roy Choudhuri, Amalendu Chandra
Journal of Chemical Physics, 2018
Graphynes: Indispensable nanoporous architectures in carbon flatland
Anto James, Chris John, Cheriyacheruvakkara Owais, Stephen Nagaraju Myakala, Sarap Chandra Shekar, Jyoti Roy Choudhuri, Rotti Srinivasamurthy Swathi
Rsc Advances, 2018
Dynamic Response in Nanoelectrowetting on a Dielectric
Jyoti Roy Choudhuri, Davide Vanzo, Paul Anthony Madden, Mathieu Salanne, Dusan Bratko, Alenka Luzar
ACS Nano, 2016
An ab initio molecular dynamics study of the liquid-vapor interface of an aqueous NaCl solution: Inhomogeneous density, polarity, hydrogen bonds, and frequency fluctuations of interfacial molecules
Jyoti Roy Choudhuri, Amalendu Chandra
Journal of Chemical Physics, 2014
Structure and dynamics of the liquid-liquid interface of an aqueous NaCl solution with liquid carbon tetrachloride from first-principles simulations
Jyoti Roy Choudhuri, Amalendu Chandra
Journal of Physical Chemistry C, 2014
Hydrogen bonded structure, polarity, molecular motion and frequency fluctuations at liquid-vapor interface of a water-methanol mixture: An ab initio molecular dynamics study
Jyoti Roy Choudhuri, Amalendu Chandra
Journal of Chemical Physics, 2014
An ab initio molecular dynamics study of the hydrogen bonded structure, dynamics and vibrational spectral diffusion of water in the ion hydration shell of a superoxide ion
Jyoti Roy Choudhuri, Amalendu Chandra
Chemical Physics, 2014
A first-principles theoretical study of hydrogen-bond dynamics and vibrational spectral diffusion in aqueous ionic solution: Water in the hydration shell of a fluoride ion
Jyoti Roy Choudhuri, Vivek K. Yadav, Anwesa Karmakar, Bhabani S. Mallik, Amalendu Chandra
Pure and Applied Chemistry, 2013
A first principles simulation study of vibrational spectral diffusion in aqueous NaBr solutions: Dynamics of water in ion hydration shells
Anwesa Karmakar, Jyoti Roy Choudhuri, Vivek K. Yadav, Bhabani S. Mallik, Amalendu Chandra
Chemical Physics, 2013
A first principles molecular dynamics study of vibrational spectral diffusion and hydrogen bond dynamics in liquid methanol
Vivek K. Yadav, Anwesa Karmakar, Jyoti Roy Choudhuri, Amalendu Chandra
Chemical Physics, 2012

RECENT SCHOLAR PUBLICATIONS

Experimental and computational investigation of an expired oxpentifylline as a corrosion shielding agent for mild steel in a simulated marine environment
GA Swetha, HP Sachin, KHS Kumar, JR Choudhuri, N Raghavendra, ...
Next Materials 12, 102328 , 2026
2026
Spectroscopic Detection of Microplastics from Paper and Plastic Cups Using Ftir
Boggada Hemanth Balaji, Harjeet Nath, Jyoti Roy Choudhuri
Emerging Micropollutants, 439–451 , 2025
2025
4-Alkoxy biphenyl-3-carboxylic acid derivatives as efficient corrosion inhibitors for mild steel in acidic media: experimental and theoretical insights
KR Vishwas, SK Shetty, K Swamynathan, JR Choudhary, SH Upadhya
Canadian Metallurgical Quarterly, 1-13 , 2025
2025
Real-time PCR assay for quantitative detection of cow milk adulterants in camel milk
S Saha, B Jyotsana, V Prakash, SA Khulape, S Priyadarsini, R Ranjan, ...
International Dairy Journal, 106454 , 2025
2025
Corrosion mitigation of mild steel by dimethylol propionic acid: an experimental and theoretical insights with in-vitro cytotoxicity testing on L929 cells
BR Vergis, S Rao, JR Choudhuri, MB Chougala, GK Prashanth, ...
Canadian Metallurgical Quarterly 64 (4), 2103-2113 , 2025
2025
Citations: 1
Benzoic acid-based supramolecular synthons as a corrosion inhibitor for mild steel in 1.0 M HCl and H 2 SO 4 environments
HS Upadhya, SS Kshama, KR Vishwas, K Swamynathan, JR Choudhuri, ...
Canadian Metallurgical Quarterly 64 (4), 2065-2079 , 2025
2025
Citations: 1
Unlocking the corrosion inhibition potential of expired chlorzoxazone on mild steel in acidic media: A synergistic approach with electrochemical, surface and computational insights
JC Abbar, GA Swetha, R Rangappa, D Priyadarshini, Y Patil, ...
Materials Today Communications 45, 112409 , 2025
2025
Citations: 8
Mesomorphic cyanobiphenyl appended thiols as anti-corrosive materials: Electrochemical and theoretical investigations
SK Shetty, K Swamynathan, JR Choudhuri, K Shwetha, SH Upadhya, ...
Journal of Chemical Sciences 136 (4), 92 , 2024
2024
Performance of an anticonvulsant drug, expired gabapentin, on zinc corrosion in an acidic environment
GA Swetha, HP Sachin, JR Choudhuri
Emergent Materials 6 (2), 721-740 , 2023
2023
Citations: 5
α -graphyne as a promising anode material for Na-ion batteries: a first-principles study
T Singh, JR Choudhuri, MK Rana
Nanotechnology 34 (4), 045404 , 2023
2023
Citations: 23
Experimental and theoretical investigation on the anti-corrosive potential of potassium ethyl xanthogenate for corrosion of mild steel in acidic media
S Fatima, S Kshama Shetty, JR Choudhuri, K Swamynathan, K Shwetha, ...
Journal of Chemical Sciences 134 (4), 101 , 2022
2022
Citations: 6
Electrochemistry of Organic Electrodes
JR Choudhuri, JC Abbar
Organic Electrodes: Fundamental to Advanced Emerging Applications, 47-62 , 2022
2022
Metal oxide–carbon nanocomposites for electrochemical storage
JR Choudhuri
Metal Nanocomposites for Energy and Environmental Applications, 49-67 , 2022
2022
Citations: 3
Zero-dimensional bromobismuthate: Synthesis and characterization
JR Choudhuri, S Pandey
Materials Today: Proceedings 49, 794-796 , 2022
2022
Zero dimensional iodobismuthate: Synthesis and optical property
S Pandey, JR Choudhuri
Materials Today: Proceedings 49, 837-840 , 2022
2022
Wetting transition of a nanodrop on switchable hydrophilic-hydrophobic surfaces
JR Choudhuri, P Nath
Surfaces and Interfaces 21, 100628 , 2020
2020
Citations: 10
Polyoxotungstate ([PW₁₁O₃₉] ⁷⁻) immobilized on mesoporous polymer for selective liquid-phase oxidation of alcohols using H₂O₂
SR Churipard, KS Kanakikodi, JR Choudhuri, SP Maradur
2020
Polyoxotungstate ([PW 11 O 39] 7−) immobilized on mesoporous polymer for selective liquid-phase oxidation of alcohols using H 2 O 2
SR Churipard, KS Kanakikodi, JR Choudhuri, SP Maradur
RSC advances 10 (59), 35988-35997 , 2020
2020
Citations: 15
Structure, polarity, dynamics, and vibrational spectral diffusion of liquid–vapour interface of a water–methanol mixture from first principles simulation using dispersion …
J Roy Choudhuri
Indian Journal of Physics 92 (10), 1337-1346 , 2018
2018
Citations: 3
Effects of dispersion interactions on the structure, polarity, and dynamics of liquid-vapor interface of an aqueous NaCl solution: Results of first principles simulations at …
J Roy Choudhuri, A Chandra
The Journal of chemical physics 148 (2) , 2018
2018
Citations: 4

MOST CITED SCHOLAR PUBLICATIONS

Graphynes: indispensable nanoporous architectures in carbon flatland
A James, C John, C Owais, SN Myakala, SC Shekar, JR Choudhuri, ...
RSC advances 8 (41), 22998-23018 , 2018
2018
Citations: 45
Dynamic response in nanoelectrowetting on a dielectric
JR Choudhuri, D Vanzo, PA Madden, M Salanne, D Bratko, A Luzar
Acs Nano 10 (9), 8536-8544 , 2016
2016
Citations: 39
A first-principles theoretical study of hydrogen-bond dynamics and vibrational spectral diffusion in aqueous ionic solution: Water in the hydration shell of a fluoride ion
JR Choudhuri, VK Yadav, A Karmakar, BS Mallik, A Chandra
Pure Appl. Chem 85, 27-40 , 2012
2012
Citations: 33
A first principles simulation study of vibrational spectral diffusion in aqueous NaBr solutions: Dynamics of water in ion hydration shells
A Karmakar, JR Choudhuri, VK Yadav, BS Mallik, A Chandra
Chemical Physics 412, 13-21 , 2013
2013
Citations: 24
α -graphyne as a promising anode material for Na-ion batteries: a first-principles study
T Singh, JR Choudhuri, MK Rana
Nanotechnology 34 (4), 045404 , 2023
2023
Citations: 23
A first principles molecular dynamics study of vibrational spectral diffusion and hydrogen bond dynamics in liquid methanol
VK Yadav, A Karmakar, JR Choudhuri, A Chandra
Chemical Physics 408, 36-42 , 2012
2012
Citations: 19
Polyoxotungstate ([PW 11 O 39] 7−) immobilized on mesoporous polymer for selective liquid-phase oxidation of alcohols using H 2 O 2
SR Churipard, KS Kanakikodi, JR Choudhuri, SP Maradur
RSC advances 10 (59), 35988-35997 , 2020
2020
Citations: 15
An ab initio molecular dynamics study of the liquid-vapor interface of an aqueous NaCl solution: Inhomogeneous density, polarity, hydrogen bonds, and frequency fluctuations of …
JR Choudhuri, A Chandra
The Journal of chemical physics 141 (19) , 2014
2014
Citations: 15
Hydrogen bonded structure, polarity, molecular motion and frequency fluctuations at liquid-vapor interface of a water-methanol mixture: An ab initio molecular dynamics study
JR Choudhuri, A Chandra
The Journal of Chemical Physics 141 (13) , 2014
2014
Citations: 11
Wetting transition of a nanodrop on switchable hydrophilic-hydrophobic surfaces
JR Choudhuri, P Nath
Surfaces and Interfaces 21, 100628 , 2020
2020
Citations: 10
Unlocking the corrosion inhibition potential of expired chlorzoxazone on mild steel in acidic media: A synergistic approach with electrochemical, surface and computational insights
JC Abbar, GA Swetha, R Rangappa, D Priyadarshini, Y Patil, ...
Materials Today Communications 45, 112409 , 2025
2025
Citations: 8
Experimental and theoretical investigation on the anti-corrosive potential of potassium ethyl xanthogenate for corrosion of mild steel in acidic media
S Fatima, S Kshama Shetty, JR Choudhuri, K Swamynathan, K Shwetha, ...
Journal of Chemical Sciences 134 (4), 101 , 2022
2022
Citations: 6
Structure and Dynamics of the Liquid–Liquid Interface of an Aqueous NaCl Solution with Liquid Carbon Tetrachloride from First-Principles Simulations
JR Choudhuri, A Chandra
The Journal of Physical Chemistry C 118 (40), 23083-23091 , 2014
2014
Citations: 6
Performance of an anticonvulsant drug, expired gabapentin, on zinc corrosion in an acidic environment
GA Swetha, HP Sachin, JR Choudhuri
Emergent Materials 6 (2), 721-740 , 2023
2023
Citations: 5
Effects of dispersion interactions on the structure, polarity, and dynamics of liquid-vapor interface of an aqueous NaCl solution: Results of first principles simulations at …
J Roy Choudhuri, A Chandra
The Journal of chemical physics 148 (2) , 2018
2018
Citations: 4
Metal oxide–carbon nanocomposites for electrochemical storage
JR Choudhuri
Metal Nanocomposites for Energy and Environmental Applications, 49-67 , 2022
2022
Citations: 3
Structure, polarity, dynamics, and vibrational spectral diffusion of liquid–vapour interface of a water–methanol mixture from first principles simulation using dispersion …
J Roy Choudhuri
Indian Journal of Physics 92 (10), 1337-1346 , 2018
2018
Citations: 3
An ab initio molecular dynamics study of the hydrogen bonded structure, dynamics and vibrational spectral diffusion of water in the ion hydration shell of a superoxide ion
JR Choudhuri, A Chandra
Chemical Physics 445, 105-112 , 2014
2014
Citations: 3
Corrosion mitigation of mild steel by dimethylol propionic acid: an experimental and theoretical insights with in-vitro cytotoxicity testing on L929 cells
BR Vergis, S Rao, JR Choudhuri, MB Chougala, GK Prashanth, ...
Canadian Metallurgical Quarterly 64 (4), 2103-2113 , 2025
2025
Citations: 1
Benzoic acid-based supramolecular synthons as a corrosion inhibitor for mild steel in 1.0 M HCl and H 2 SO 4 environments
HS Upadhya, SS Kshama, KR Vishwas, K Swamynathan, JR Choudhuri, ...
Canadian Metallurgical Quarterly 64 (4), 2065-2079 , 2025
2025
Citations: 1

Jyoti Roy Choudhuri

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Scopus Publications

RECENT SCHOLAR PUBLICATIONS

MOST CITED SCHOLAR PUBLICATIONS