Publications by authors named "Azaj Ansari"

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Design and evaluation of Ugi-derived peptoids as antibacterial and anticancer agents: experimental and computational insights.
Meenakshi, Mettle Brahma, Yangala Sudheer Babu, Mulaka Maruthi, Sounak Sengupta, Azaj Ansari

Future Med Chem· December 2025

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Correction: Synthesis, characterization and biological studies of pyrazole-linked Schiff bases and their copper(ii) complexes as potential therapeutics.
Pratima Kumari, Aman Kumar, Ramesh Kataria, Naveen Kumar Kaushik, Mukhtar Ahmed, Azaj Ansari

RSC Adv· November 2025

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DFT and TDDFT studies on π-conjugated ligands for copper sensing: analyzing electronic structures and optical performance.
Susheel, Abdullah Saad Alsubaie, Mukhtar Ahmed, Sumit Sahil Malhotra, Asha, Azaj Ansari

J Mol Model· October 2025

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Synthesis, characterization and biological studies of pyrazole-linked Schiff bases and their copper(ii) complexes as potential therapeutics.
Pratima Kumari, Aman Kumar, Ramesh Kataria, Navin Kumar Kaushik, Mukhtar Ahmed, Azaj Ansari

RSC Adv· October 2025

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Electronic structures, bonding aspects and photophysical properties of N-heterocyclic carbene manganese complexes: DFT and TDDFT exploration.
Mukhtar Ahmed, Manjeet Kumar, Subodh, Sumit Sahil Malhotra, Abdullah Saad Alsubaie, Azaj Ansari

J Mol Graph Model· September 2025

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Tuning the photophysical properties of triphenylamine pyrazine-based dyes: role of π-spacers in DSSCs with iodine and copper-based redox shuttle.
Asha, Sumit Sahil Malhotra, Sunita Srivastava, Manoj Kumar Gangwar, Ranjan Kumar Mohapatra, Azaj Ansari

J Mol Model· September 2025

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High-performance corrosion inhibitors for carbon steel in hydrochloric acid: electrochemical and DFT studies.
Qahtan A Yousif, Mahmoud A Bedair, Ahmed M Abuelela, Azaj Ansari, Sumit Sahil Malhotra

RSC Adv· August 2025

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Safflower plant extract as a sustainable corrosion inhibitor for carbon steel in acidic media: a combined electrochemical and computational study.
Qahtan A Yousif, Sumit Sahil Malhotra, Mahmoud A Bedair, Azaj Ansari, Ali K Hadi

RSC Adv· June 2025

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Unveiling Gelation and Antimicrobial Potentials of α-Acyloxy Carboxamides: Findings from Experimental and Theoretical Approach.
Sharol Sebastian, Manjeet Kumar, Feroze Hussain, Sanju Rathore, Yajat Rohila, Azaj Ansari

ChemMedChem· April 2025

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Structures, bonding aspects and spectroscopic parameters of morin, myricetin, and quercetin with copper/zinc complexes: DFT and TDDFT exploration.
Mukhtar Ahmed, Sudhanshu, Sumit Sahil Malhotra, Abdullah Saad Alsubaie, Salah M El-Bahy, Azaj Ansari

J Mol Model· February 2025

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Anti-quorum sensing activity of α-amidoamides against Agrobacterium tumefaciensNT1: Insights from molecular docking and dynamic investigations to synergistic approach of metronidazole release from gel formulations.
Sharol Sebastian, Yajat Rohila, Meenakshi, Azaj Ansari, Sounok Sengupta

Microb Pathog· August 2024

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N-Hydroxyalkanamide Based Organo/hydrogels as Novel Scaffolds for pH-Dependent Metronidazole and Theophylline Release.
Monika, Meenakshi, Mettle Brahma, Mulaka Maruthi, Sermadurai Selvakumar, Azaj Ansari

Chem Biodivers· July 2024

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Transmission dynamics, complications and mitigation strategies of the current mpox outbreak: A comprehensive review with bibliometric study.
Ranjan K Mohapatra, Puneet K Singh, Francesco Branda, Snehasish Mishra, L V Simhachalam Kutikuppala, Azaj Ansari

Rev Med Virol· May 2024

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A Comprehensive Review of the Diverse Spectrum Activity of 1,2,3-Triazole-linked Isatin Hybrids.
Yajat Rohila, Sharol Sebastian, Azaj Ansari, Deepak Kumar, D K Mishra

Chem Biodivers· April 2024

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DFT and TDDFT exploration on electronic transitions and bonding aspect of DPA and PTDC ligated transition metal complexes.
Mukhtar Ahmed, Sumit Sahil Malhotra, Oval Yadav, Monika, Charu Saini, Azaj Ansari

J Mol Model· April 2024

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Supramolecular Organo/hydrogel-Fabricated Long Alkyl Chain α-Amidoamides as a Smart Soft Material for pH-Responsive Curcumin Release.
Sharol Sebastian, Yajat Rohila, Eqvinshi Yadav, Priya Bhardwaj, Yangala Sudheer Babu, Azaj Ansari

Biomacromolecules· February 2024

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Rebound or Cage Escape? The Role of the Rebound Barrier for the Reactivity of Non-Heme High-Valent Fe =O Species.
Ravi Kumar, Azaj Ansari, Peter Comba, Gopalan Rajaraman

Chemistry· January 2024

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Fabrication of Unique Mixed-Valent CoCo and CuCu Metal-Organic Frameworks (MOFs) for Desulfurization of Fuels: A Combined Experimental and Theoretical Approach toward Green Fuel.
Hatem A M Saleh, Shabnam Khan, Manjeet Kumar, Azaj Ansari, M Shahid

Inorg Chem· January 2024

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C-H bond activation by high-valent iron/cobalt-oxo complexes: a quantum chemical modeling approach.
Manjeet Kumar, Manoj Kumar Gupta, Mursaleem Ansari, Azaj Ansari

Phys Chem Chem Phys· January 2024

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The neglected continuously emerging Marburg virus disease in Africa: A global public health threat.
Devang Srivastava, Lakshmi Venkata Simhachalam Kutikuppala, Pooja Shanker, Rudra Narayan Sahoo, Gurudutta Pattnaik, Azaj Ansari

Health Sci Rep· November 2023

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DFT and TDDFT exploration on the role of pyridyl ligands with copper toward bonding aspects and light harvesting.
Mukhtar Ahmed, Manoj Kumar Gupta, Azaj Ansari

J Mol Model· November 2023

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Theoretical study of the formation of metal-oxo species of the first transition series with the ligand 14-TMC: driving factors of the "Oxo Wall".
Monika, Manjeet Kumar, Somi, Arup Sarkar, Manoj Kumar Gupta, Azaj Ansari

Dalton Trans· October 2023

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Photophysical properties of four-membered BN heterocyclic compounds: theoretical insights.
Manjeet Kumar, Anagha Kizhake Talakkal, Ranjan K Mohapatra, Azaj Ansari

J Mol Model· October 2023

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Analyzing the emerging patterns of SARS-CoV-2 Omicron subvariants for the development of next-gen vaccine: An observational study.
Ranjan K Mohapatra, Snehasish Mishra, Venkataramana Kandi, Francesco Branda, Azaj Ansari

Health Sci Rep· October 2023

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Probing the Origins of Puzzling Reactivity in Fe/Mn-Oxo/Hydroxo Species toward C-H Bonds: A DFT and Ab Initio Perspective.
Asmita Sen, Azaj Ansari, Abinash Swain, Bhawana Pandey, Gopalan Rajaraman

Inorg Chem· September 2023

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