F Rehman, M Waqas, M Imran, MAA Ibrahim, J Iqbal… - ACS …, 2023 - ACS Publications
In this quantum approach, by adding bridge/π-spacer fragments between the donor and
acceptor parts of a newly constructed DF-PCIC (A–D–A type) molecule, it is the aim to …

Polymer/Fullerene Nanocomposite for Optoelectronics—Moving toward Green Technology

A Kausar, I Ahmad, M Maaza, MH Eisa… - Journal of Composites …, 2022 - mdpi.com
Optoelectronic devices have been developed using the polymer/fullerene nanocomposite,
as focused in this review. The polymer/fullerene nanocomposite shows significant structural …

[HTML][HTML] Breakthroughs of fullerene in optoelectronic devices—an overview

A Kausar - Hybrid Advances, 2024 - Elsevier
This state-of-the art review is designed to state the competence of fullerene nanostructures
in optoelectronic devices. Fullerene molecules own valuable structural, electronic, optical …

In-silico identification of small molecule benzofuran-1, 2, 3-triazole hybrids as potential inhibitors targeting EGFR in lung cancer via ligand-based pharmacophore …

S Kumar, I Ali, F Abbas, N Khan, MK Gupta… - In Silico …, 2023 - Springer
Lung cancer is one of the most common and deadly types of cancer worldwide, and the
epidermal growth factor receptor (EGFR) has emerged as a promising therapeutic target for …

An optoelectronic study to design better benzodithiophene (BDT) donor unit based non-fullerene organic solar cells (OSCs): the DFT approaches

F Abbas, U Ali, A Tallat, HMR Ahmad, SA Siddique… - Chemical Papers, 2022 - Springer
Herein present research work, we have designed benzodithiophene based four new
molecules (D 1–D 4) linked with different non fullerene end-capped acceptor units. The …

In-silico design, pharmacophore-based screening, and molecular docking studies reveal that benzimidazole-1,2,3-triazole hybrids as novel EGFR inhibitors targeting …

S Kumar, I Ali, F Abbas, A Rana, S Pandey… - Journal of …, 2024 - Taylor & Francis
Lung cancer is a complex and heterogeneous disease, which has been associated with
various molecular alterations, including the overexpression and mutations of the epidermal …

Photovoltaic response promoted via intramolecular charge transfer in triphenylpyridine core with small acceptors: A DFT/TD-DFT study

MA Asghar, A Jabbar, S Nadeem, I Shafiq… - Materials Science in …, 2025 - Elsevier
Currently, A− π− A configured molecules (TTP1-TTP6) were designed from the reference
compound (TPPR) by modifying the terminal acceptors for photovoltaic materials. Density …

State-of-the-Art of Polymer/Fullerene C60 Nanocomposite Membranes for Water Treatment: Conceptions, Structural Diversity and Topographies

A Kausar, I Ahmad, M Maaza, MH Eisa - Membranes, 2022 - mdpi.com
To secure existing water resources is one of the imposing challenges to attain sustainability
and ecofriendly world. Subsequently, several advanced technologies have been developed …

A spectroscopic study and the effect of gamma rays on the stability and efficiency of boron subphthalocyanine dye for solar energy applications

SJ Alsufyani, AN Alharbi, AA Atta, TA Altalhi… - Radiation Physics and …, 2023 - Elsevier
Gamma irradiation with different doses (0.0, 10, 20, 30, 40 and 50 kGy) effects on the
structural and optical features of organic boron subphthalocyanine (SubPc-Cl) thin films are …

Hydrogen-Deuterium-Exchange-Based Mass Distribution Shifts in High-Resolution Cyclic Ion Mobility Separations

DL Williamson, TK Trimble, G Nagy - Journal of the American …, 2023 - ACS Publications
The mass distribution of ions influences separations in ion mobility spectrometry-mass
spectrometry (IMS-MS). Herein, we introduce a method to induce mass distribution shifts for …