Dr. Ajay Kumar
Assistant Professor
UG Bipin Bihari Degree College Jhansi, Bundelkhand University Jhansi UP Industrial Chemistry, Chemistry, Zoology 2008
PG Aligarh Muslim University Aligarh Industrial Chemistry 2010
PhD Babasaheb Bhimrao Ambedkar University Lucknow UP Applied Chemistry 2018
Mphil Bundelkhand University Jhansi UP Chemistry 2012
1 Ajay Kumar Indian Institute of Technology Delhi Postdoctoral Fellow 2019-09-16 2022-03-15 Computational Chemistry
1 Adsorption of pesticides using graphene oxide through computational and experimental approachCo-author Kamlesh Kumari * , Madhur Babu Singh , Nobel Tomar, Ajay Kumar, Vinod Kumar, Kawar Lal Dabodhia, Molecular Structure, Elsevier 2023 1291 136043 1872-8014 3.8
2 Mono-Phosphine Metal-Organic Framework-Supported Cobalt Catalyst for Efficient Borylation ReactionsCo-author Rajashree Newar,† Wahida Begum,† Naved Akhtar, Neha Antil, Manav Chauhan, Ajay Kumar, Poorvi Gupt European Journal of Inorganic Chemistry 2022 10 e202101019 1434-1948 2.5
3 *, Chemoselective and Tandem Reduction of Arenes using Metal-Organic Framework Supported Single-Site Cobalt CatalystSole Neha Antil,† Ajay Kumar,† Naved Akhtar, Wahida Begum, Manav Chauhan, Rajashree Newar, Manhar Sing Inorganic Chemistry, ACS 2022 61 1031−1040 0020-1669 5.4
4 In Silico Evaluation of Binding of 2-Deoxy-D-Glucose with Mpro of nCoV to Combat COVID-19Co-author Kamlesh Kumari, Anirudh Pratap Singh Raman, Pallavi Jain, Vijay Kumar Vishvakarma, Ajay Kumar, Ne . Pharmaceutics, MDPI 2022 14 135 1999-4923 6.7
5 An Insight of Novel Eutectic Mixture between Thiazolidine-2,4-dione and Zinc Chloride: Temperature dependent DFT ApproachCorresponding Madhur Babu Singh, Ajay Kumar,* Pallavi Jain, Prashant Singh,* Kamlesh Kumari Journal of Physical Organic Chemistry, Wiley 2022 35(3) e4305 1099-1395 2.3
6 An insight for the interaction of Drugs (Acyclovir/Ganciclovir) with various Ionic Liquids: DFT calculations and Molecular DockingSole Ajay Kumar, Kamlesh Kumari, Anirudh Pratap Singh Raman, Pallavi Jain, Durgesh Kumar, Prashant Si Journal of Physical Organic Chemistry, Wiley 2022 35(1) e4287 1099-1395 2.3
7 Chiral iron(II)-catalysts within valinol-grafted metal-organic frameworks for enantioselective reduction of ketonesCo-author Neha Antil,† Naved Akhtar,† Rajashree Newar, Wahida Begum, Ajay Kumar, Manav Chauhan, Kuntal Man ACS Catalysis 2021 11(16) 10450–10459 2155-5435 13.7
8 Investigate the interaction of testosterone/ progesterone with ionic liquids on varying the anion to combat COVID-19: DFT and molecular docking approachCorresponding Kamlesh Kumari, Ajay Kumar,* Indra Bahadur, Prashant Singh* Journal of Physical Organic Chemistry, Wiley 2021 34 (12) e4273 1099-1395 2.3
9 Metal-Organic Framework Confined Single-Site Base-Metal Catalyst for Chemoselective Hydrodeoxygenation of Carbonyls and AlcoholsSole Neha Antil,† Ajay Kumar,† Naved Akhtar,Rajashree Newar, Wahida Begum, Kuntal Manna* Inorganic Chemistry, ACS 2021 60 (12) 9029–9039 0020-1669 5.4
10 Aluminum Metal−Organic Framework-Ligated Single-Site Nickel(II)-Hydride for Heterogeneous Chemoselective CatalysisCo-author Neha Antil, Ajay Kumar, Naved Akhtar, Rajashree Newar, Wahida Begum, Ashutosh Dwivedi, Kuntal Ma ACS Catalysis 2021 11 3947-3957 2155-5435 13.7
11 Amino Acid-Functionalized Metal-Organic Frameworks for Asymmetric Base-Metal CatalysisCo-author Rajashree Newar, Naved Akhtar, Neha Antil, Ajay Kumar, Sakshi Shukla, Wahida Begum, Kuntal Manna Angewandte Chemie, Wiley 2021 60 2-9 1433-7851 16.8
12 Stereospecific N-acylation of Indoles and corresponding Microwave mediated synthesis of Pyrazinoindoles using HexafluoroisopropanolCo-author Aarushi Singh, Snigdha Singh, Shubham Sewariya, Nidhi Singh1, Prashant Singh, Ajay Kumar, et.al. Tetrahydron, Elsevier 2021 84 132017 0040-4020 2.4
13 Promising Iron (II) Complexes of Curcumins: Designing, DFT and Molecular DockingCorresponding Ajay Kumar*, Vinod Kumar, Kamlesh Kumari*, Pallavi Jain, Nagendra Kumar Kaushik, Prashant Singh* Journal of Physical Organic Chemistry, Wiley 2021 34 (7) e4196 1099-1395 2.3
14 DFT and Docking studies of Designed Conjugates of Noscapines & repurposing drugs: Promising inhibitors of main protease of SARS-CoV-2 and falcipan-2Sole Ajay Kumar, Durgesh Kumar, Ravinder Kumar, Prashant Singh, Ramesh Chandra, Kamlesh Kumari Journal Biomolecular Structure and Dynamics, Tylor and Francis 2022 40(6) 2600-2620 1538-0254 4.1
15 Temperature dependent DFT studies to understand the physiochemical interaction of lithium chloride cluster ions in presence of syringic acidSole Ajay Kumar, Kamlesh Kumari, Indra Bahdur, Prashant Singh* Journal of Chemical Thermodynamics, Elsevier 2021 152 106277 0021-9614 3.1
16 Noscapine anticancer drug designed with ionic liquids to enhance solubility: DFT and ADME approachSole Ajay Kumar, Kamlesh Kumari, Sangeeta Singh, Venkatesh Kumar R., Indra Bahdur, * Prashant Singh, Journal of Molecular Liquid, Elsevier 2021 325 115159 0167-7322 6.6
17 Metal-ligand complex formation between Ferrous or Ferric ion with Syringic acid and their anti-oxidant and anti-microbial activities: DFT and Molecular Docking approachSole Ajay Kumar, Kamlesh Kumari, Indra Bahadur, Prashant Singh* Journal of Molecular Liquid, Elsevier 2021 322 114872 0167-7322 6.6
18 Designed thiazolidines: An arsenal for the inhibition of nsP3 of CHIKV using molecular docking and MD simulationsCo-author 24. Mahendra Kumar Meena, Durgesh Kumar, Abhilash Jayaraj, Ajay Kumar, Kamlesh Kumari,* et.al. Journal Biomolecular Structure and Dynamics, Tylor and Francis 2020 40(4) 1607-1616 1538-0254 4.1
19 Kinetics of complex formation of Fe(III) with syringic acid: Experimental and theoretical studyCo-author Kaman Singh and Ajay Kumar Food Chemistry, Elsevier 2018 265 96-100 0308-8146 9.2
20 Kinetics of complex formation of Fe(III) with caffeic acid: Experimenta land theoretical studyCo-author Kaman Singh and Ajay Kumar Spectrochimca Acta Part A: Molecular and Biomolecular Spectroscopy, Elsevier 2019 211 148–153 1386-1425 4.01
21 The effect of high intensity ultrasound (HIU) on the kinetics of crystallization of sucrose: Elimination of latent periodCo-author Kaman Singh, Satya Prakash Gupta, Ashok Kumar and Ajay Kumar Ultrasonic Sonochemistry, Elsevier 2019 52 19–24 1350-4177 9.3
22 Removal of Pb(II) from its aqueous solution by activated carbon derived from Balam Khira (Kigelia Africana)Co-author Kaman Singh, Manisha Gautam, Bhuwan Chandra, Ajay Kumar Desalination and Water Treatment, Taylor & Francis 2016 57 1–11 1944-3994 1.2
23 Exploring the Molecular Interactions between Acyclovir and Hormones: Insights from Density Functional Theory CalculationsCo-author Anirudh Pratap Singh Raman, Jaya Tomar, Pallavi Jain, Ajay Kumar, Prashant Singh, Kamlesh Kumari ChemistrySelect 2023 8 (40) e202303320 2365-6549 2.1