Publications by authors named "Ali Ayub"

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Carbon nanocone oxide-mediated controlled interaction to increase Favipiravir's bioavailability: An extensive in silico research.
Salba, Zubera Naseem, Ali Raza Ayub, Saher Mubeen Arshed, Fatima Afzal

Comput Biol Chem· February 2026

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Cactus cladodes as a renewable source of cellulose for the adsorption of Safranin O and Acid Blue 25 dyes: Optimization of extraction parameters, comprehensive experimental investigation, and mechanistic interpretation via Density Functional Theory (DFT).
Soukaina El Bourachdi, Abdelhay El Amri, Ali Raza Ayub, Yassine Rakcho, Fatima Moussaoui

Int J Biol Macromol· December 2025

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Design of the opto-electronic characteristics of organo-solar cells using the small molecules based on Ullazine.
Zeeshana Bibi, Javed Iqbal, Ali Raza Ayub, Sehrish Gul, Amna Ayub

J Mol Graph Model· November 2025

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Breaking barriers: The admissibility of forensic evidence in US courts and the struggles with cutting-edge science.
Ali Md Ayub, Ferdous Robayet Syed, Haiqing Peng

Sci Justice· November 2025

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Perylene Diimides (PDI) with Electronic Donor Core-Substituted Structures for Application of Solar Cell Materials by Theoretical Study (Showing PCE > 18.7%).
Ali Raza Ayub, Sidra Rafiq, Umer Yaqoob, Salba, Hui Li

J Fluoresc· October 2025

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Bispecific antibodies cross-link and redirect CD8 T cells to kill cytomegalovirus-infected cells.
Ayub Ali, Arumugam Balamurugan, Francisco J Ibarrondo, Minh Nguyen, Sara Habibipour

Sci Adv· September 2025

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The Computational Study of Optoelectronic Properties of Perylene Diimide and Nucleotide Supramolecular Complex (GMP:PDI).
Ali Raza Ayub, Karim Youssef Nabat, Salba, Javed Iqbal, Hui Li

J Phys Chem A· August 2025

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Zinc(ii) ion detection and fluorescence emission properties of a diaminomaleonitrile-derived unsymmetrical Schiff base ligand.
Tesfa Oluma Fufa, Hongwei Ma, Ali R Ayub, Karim Y Nabat, Yaqoot Khan

RSC Adv· July 2025

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A Theoretical Investigation for Exploring the Potential Performance of Non-Fullerene Organic Solar Cells Through Side-Chain Engineering Having Diphenylamino Groups to Enhance Photovoltaic Properties.
Fakhar Abbas, R Bousbih, Ali Raza Ayub, Saba Zahid, Mohammed Aljohani

J Fluoresc· June 2025

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Development of a novel low-cost adsorbent Chitosan@EDTA@Cellulose composite to effectively remove Methyl Orange dye from wastewater: Experimental and theoretical investigation.
Soukaina El Bourachdi, Abdelhay El Amri, Ali Raza Ayub, Fatima Moussaoui, Yassine Rakcho

Int J Biol Macromol· May 2025

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Unveiling the multifaceted nature of terpyridine-based metal complexes: a synergistic study of their photophysical and electrochemical behavior with computational insights.
Nafeesa Naeem, Ehsan Ullah Mughal, Ebru Bozkurt, Ishtiaq Ahmed, Muhammad Naveed Zafar, Ali Raza Ayub

RSC Adv· April 2025

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Optimization of the degree of deacetylation of chitosan beads for efficient anionic dye adsorption: kinetics, thermodynamics, mechanistic insights via DFT analysis, and regeneration performance.
Soukaina El Bourachdi, Ali Raza Ayub, Yassine Rakcho, Abdelhay El Amri, Fatima Moussaoui

Environ Sci Pollut Res Int· March 2025

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Optoelectronic analysis of designed semi-circular shaped thiophene-based bridged Y-series NFAs for organic solar cell applications.
Ali Raza Ayub, Waqas Akram, Umer Yaqoob, Salba, Nimra Maqsood

Spectrochim Acta A Mol Biomol Spectrosc· January 2025

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Role of Opioid-Sparing Techniques in Pain Management for General Surgery Patients With Hepatic Dysfunction: An Observational Cohort Study.
Dulce M Rascón-Martínez, Samid Ullah, Muhammad Anwar Memon, Adil Bangash, Ayub Ali

Cureus· January 2025

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A theoretical investigation for improving the performance of non-fullerene organic solar cells through side-chain engineering of BTR non-fused-ring electron acceptors.
Sidra Moeed, R Bousbih, Ali Raza Ayub, Nadhir N A Jafar, Mohammed Aljohani

J Mol Graph Model· September 2024

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Physio-metabolic alterations in Labeo rohita (Hamilton, 1822) and native predator Chitala chitala (Hamilton, 1822) in presence of an invasive species Piractus brachypomus (G. Cuvier, 1818).
Kankana Borah, Bipul Phukan, Avinash Talukdar, Pankaj Deka, Hemanta Pokhrel, Ayub Ali

Environ Sci Pollut Res Int· August 2024

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A quantum mechanical investigation of nanocone oxide as a drug carrier for zidovudine: AIDS drug.
Ali Raza Ayub, Gulzaib Basharat, Salba Arshad, Sidra Nazir, Hira Hamid, Khurshid Ayub

J Mol Graph Model· December 2023

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Assessment of microplastic contamination in the gastrointestinal tracts of indigenous fishes from north eastern hill regions of Bhogdoi, a tributary of River Brahmaputra, India.
Mustafa Ahmed, Bipul Phukan, Avinash Talukdar, Imtiaz Ahmed, Jiten Sarma, Ayub Ali

Environ Sci Pollut Res Int· December 2023

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Patient-reported outcomes and patient-reported outcome measures in liver transplantation: a scoping review.
Ali Vedadi, Roula Khairalla, Adrian Che, Ahsas Nagee, Mohammed Saqib, Ali Ayub

Qual Life Res· September 2023

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Host-guest coupling to potentially increase the bio-accessibility of 1-(2-chloroethyl)-3-cyclohexyl-1-nitrosourea by nanocarrier graphyne for brain tumor therapy, a comprehensive quantum mechanics study.
Maroof Ahmad Khan, Shehwas Kalsoom, Ali Raza Ayub, Mubashar Ilyas, Noor Hassan

J Mol Graph Model· September 2023

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Synthesis and Characterization of a Tertiary Composite of Cu, Mn, and g-CN: An Efficient Visible Light-Active Catalyst for Wastewater Treatment.
Ali Raza Ayub, Asmat Ullah, Faisal Nawaz, Saqib Shafiq, Ahmed Abd El-Fattah

ACS Omega· June 2023

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Remarkable non-linear optical properties of gold cluster doped graphyne (GY): A DFT study.
Alvina Rasool, Saba Zahid, Nada Alfryyan, Ali Raza Ayub, Khurshid Ayub

J Mol Graph Model· July 2022

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Recoding anaerobic regulator fnr of Salmonella Typhimurium attenuates it's pathogenicity.
K C Nikhil, Laxmi Noatia, Swagatika Priyadarsini, M Pashupathi, Jagan Mohanarao Gali, M Ayub Ali

Microb Pathog· July 2022

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Controlled supramolecular interaction to enhance the bioavailability of hesperetin to targeted cancer cells through graphyne: a comprehensive study.
Maroof Ahmad Khan, Javed Iqbal, Mubashar Ilyas, Ali Raza Ayub, Yanhong Zhu

RSC Adv· February 2022

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Silver cluster doped graphyne (GY) with outstanding non-linear optical properties.
Saba Zahid, Alvina Rasool, Ali Raza Ayub, Khurshid Ayub, Javed Iqbal

RSC Adv· February 2022

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