MMEC · IIT HyderabadShelaka Gupta

03 — Publications

Publications

25 journal articles, 4 patents and 4 book chapters. Citation figures from Google Scholar, July 2026.

842Citations
15h-index
16i10-index
613Since 2021

Journal articles

2026
  1. Pallavi Dandekar, Shelaka Gupta. Mechanistic Insights into the Reductive Amination of 5-HMF to BAMF on the Ni Catalyst and Design of Bimetallic Alloys. The Journal of Physical Chemistry C, 130, 4728.
  2. Ashwin Mekkad, Prakyath Prakash Thalya, Shelaka Gupta, Vinod M. Janardhanan. Predictive Microkinetic Modeling of Acidic OER on IrO2: Mechanistic Insights into Surface Coverage and Rate Control. Journal of Catalysis, 461, 117051.
2025
  1. Aashi D. Parekh, Pallavi Dandekar, Uzma Anjum, Shelaka Gupta. Elucidating the Role of Solvent in C=C Bond Hydrogenation of Maleic Acid at the Metal–Solvent Interface by AIMD and DFT Simulations. Journal of Catalysis, 448, 116212.
  2. Govind Porwal, Pallavi Dandekar, Twinkle Gorai, Tuhin Suvra Khan, M. Ali Haider, Shelaka Gupta, C. P. Vinod. Facet Dependence for Solvent-Modulated Proton-Coupled Electron Transfer in Furfural Acetalization on Pd Nanostructures. Chemical Engineering Journal, 514, 163159.
  3. Pallavi Dandekar, Aditya Singh Ambesh, Tuhin Suvra Khan, Shelaka Gupta. Machine Learning Assisted Approximation of Descriptors (CO and OH) Binding Energy on Cu-Based Bimetallic Alloys. Physical Chemistry Chemical Physics, 27, 7151-7168.
2024
  1. Aishwarya Kollamvalappil Narayanan, Devansh Kaushik, Shelaka Gupta. C=C Bond Hydrogenation vs C-O Bond Hydrogenolysis of Furfuryl Alcohol on Ru: A DFT Study. The Journal of Physical Chemistry C.
  2. Akshay Tikoo, Shelaka Gupta, Praveen Meduri. Property Tunable Two-Dimensional Zinc Sulfoselenides as Photocatalysts for Enhanced Hydrogen Peroxide Production: Experimental and DFT Analyses. Journal of Catalysis, 438, 115684.
  3. Chaitra Shenoy, Shelaka Gupta, M. Ali Haider, Tuhin Suvra Khan. Rational Design of Bimetallic Alloys for Effective Hydrodechlorination of 4-Chlorophenol. New Journal of Chemistry, 48, 7799-7809.
2023
  1. K. Rajendran, Roshni Madampadi, Sayan Shee, Rameshkumar Subramaniam, Tuhin S. Khan, Shelaka Gupta, M. Ali Haider, Dinesh Jagadeesan. Oxygen Vacancy Mediated Reactivity of CaO/CuO Composite for the Synthesis of Amino-N-Heterocycles. ChemCatChem.
  2. K. Rajendran, Jyoti Yadav, Tuhin Suvra Khan, M. Ali Haider, Shelaka Gupta, D. Jagadeesan. Oxygen Vacancy-Mediated Reactivity: The Curious Case of Reduction of Nitroquinoline to Aminoquinoline by CuO. The Journal of Physical Chemistry C, 127, 8576-8584.
2021
  1. K. Rajendran, N. Pandurangan, C. P. Vinod, Tuhin S. Khan, Shelaka Gupta, M. Ali Haider, D. Jagadeesan. CuO as a Reactive and Reusable Reagent for the Hydrogenation of Nitroarenes. Applied Catalysis B: Environmental, 297, 120417.
  2. Sachin Kumar Sharma, Tuhin Suvra Khan, Rajib Kumar Singha, Bappi Paul, Mukesh Kumar Poddar, Takehiko Sasaki, Ankur Bordoloi, Chanchal Samanta, Shelaka Gupta, Rajaram Bal. Design of Highly Stable MgO Promoted Cu/ZnO Catalyst for Clean Methanol Production Through Selective Hydrogenation of CO2. Applied Catalysis A: General, 623, 118239.
  3. Chaitra S. Shenoy, Tuhin S. Khan, Kirti Verma, Mesfin Tsige, Kshitij C. Jha, M. Ali Haider, Shelaka Gupta. Understanding the Origin of Structure Sensitivity in Hydrodechlorination of Trichloroethylene on a Palladium Catalyst. Reaction Chemistry & Engineering, 6, 2270-2279.
2020
  1. Tuhin Suvra Khan, Shelaka Gupta, Maaz Ahmad, Md. Imteyaz Alam, M. Ali Haider. Effect of Substituents and Promoters on the Diels–Alder Cycloaddition Reaction in the Biorenewable Synthesis of Trimellitic Acid. RSC Advances, 10, 30656-30670.
2019
  1. S. Gupta, M. I. Alam, T. S. Khan, M. A. Haider. Mechanistic Approaches Towards Rational Design of a Heterogeneous Catalyst for Ring-Opening and Deoxygenation of Biomass-Derived Cyclic Compounds. ACS Sustainable Chemistry & Engineering, 7, 10165-10181.
  2. G. Porwal, S. Gupta, S. Sreedhala, J. Elizabeth, T. S. Khan, M. A. Haider, C. Vinod. Mechanistic Insights into the Pathways of Aqueous Phase Phenol Hydrogenation on Pd Nanostructures. ACS Sustainable Chemistry & Engineering, 7, 17126-17136.
  3. S. Gupta, T. S. Khan, B. Saha, M. A. Haider. Synergistic Effect of Zn in a Bimetallic PdZn Catalyst: Elucidating the Role of Under-Coordinated Sites in the Hydrodeoxygenation Reactions of Biorenewable Platforms. Industrial & Engineering Chemistry Research, 58, 16153-16163.
2018
  1. T. S. Khan, S. Gupta, M. I. Alam, P. Bandodkar, M. I. Alam, M. A. Haider. On the Role of Oxocarbenium Ions Formed in Brønsted Acidic Condition on the γ-Al2O3 Surface in the Ring-Opening of γ-Valerolactone. Applied Catalysis A, 560, 66-72.
2017
  1. M. Gupta, T. S. Khan, S. Gupta, M. I. Alam, M. Agarwal, M. A. Haider. Nonbonding and Bonding Interactions of Biogenic Impurities with the Metal Catalyst and the Design of Bimetallic Alloys. Journal of Catalysis, 352, 542-556.
2016
  1. M. I. Alam, S. Gupta, A. Bohre, E. Ahmad, T. S. Khan, B. Saha, M. A. Haider. Development of 6-Amyl-α-Pyrone as a Potential Biomass-Derived Platform Molecule. Green Chemistry, 18, 6431-6435.
  2. S. Gupta, R. Arora, N. Sinha, M. I. Alam, M. A. Haider. Mechanistic Insights into the Ring-Opening of Biomass Derived Lactones. RSC Advances, 6, 12932-12942.
  3. S. Gupta, M. I. Alam, T. S. Khan, N. Sinha, M. A. Haider. On the Mechanism of Retro-Diels-Alder Reaction of Partially Saturated 2-Pyrones to Produce Biorenewable Chemicals. RSC Advances, 6, 60433-60445.
  4. T. S. Khan, S. Gupta, I. Alam, M. A. Haider. Reactivity Descriptor for the Retro Diels–Alder Reaction of Partially Saturated 2-Pyrones: DFT Study on Substituents and Solvent Effects. RSC Advances, 6, 101697-101706.
  5. S. K. Thaligari, S. Gupta, V. C. Srivastava, B. Prasad. Simultaneous Desulfurization and Denitrogenation of Liquid Fuel by Nickel-Modified Granular Activated Carbon. Energy & Fuels, 30, 6161-6168.
2015
  1. S. K. Bardhan, S. Gupta, M. E. Gorman, M. A. Haider. Biorenewable Chemicals: Feedstocks, Technologies and the Conflict with Food Production. Renewable and Sustainable Energy Reviews, 51, 506-520.

Patents

2024

Conversion of Biomass-Derived 6-Amyl-α-Pyrone (6-PP) to n-Decane. Indian Patent Application, Application 202441083509, filed 30 October 2024.

2017

Process for Producing δ-Decalactone (DDL). Indian Patent Application, Application 201711037804, filed 25 October 2017.

Granted

A Process for the Production of Unsaturated C9 Linear Ketones. Indian Patent, Granted, Patent No. 310920.

Granted

Process for Preparation of Hydric Alcohols. Indian Patent, Granted, Patent No. 316774.

Book chapters

2022

S. Gupta, M. A. Haider. Hydrodeoxygenation of Lignin-Derived Platform Chemicals on Transition Metal Catalysts. Hydrocarbon Biorefinery, Elsevier, 409-430.

2021

S. Gupta. Understanding Biomass Chemistry Using a Multiscale Molecular Modeling Approach. Catalysis for Clean Energy and Environmental Sustainability: Biomass Conversion and Green Chemistry, Springer, 273-290.

2017

M. I. Alam, M. A. Ali, S. Gupta, M. A. Haider. Biological Routes for the Synthesis of Platform Chemicals from Biomass Feedstocks. Microbial Applications, Vol. 2, Springer.

2015

M. I. Alam, S. Gupta, E. Ahmad, M. A. Haider. Integrated Bio- and Chemocatalytic Processing for Biorenewable Chemicals and Fuels. Sustainable Catalytic Processes, Elsevier, 157-177.