Kalsoom Jan

Dr. Kalsoom Jan

Research Center for Modelling and Simulation (RCMS), NUST, Islamabad, Pakistan
orcid

Research Focus & Metrics

Academic Career Length

7Years (2020-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

View All Publications
6 October 2022 in Journal of the Energy Institute
Verified
Journal Article
Closed access
TLTaofeng Lu
Taofeng Lu
KJKalsoom Jan
Kalsoom Jan
WCWan-Ting Chen
Wan-Ting Chen

16 August 2023 in ACS Sustainable Chemistry & Engineering
Verified
Journal Article
Closed access
EYEvan Yu
Evan Yu
KJKalsoom Jan
Kalsoom Jan
WCWan-Ting Chen
Wan-Ting Chen

7 January 2026 in RSC Sustainability
Verified
Journal Article
Open access
PDF file
KJKalsoom Jan
Kalsoom Jan
DDDhruba Jyoti Deka
Dhruba Jyoti Deka
EYEvan Ming Yu
Evan Ming Yu
TLTaofeng Lu
Taofeng Lu
Kai LiKai Li
Kai Li
WCWan-Ting Chen
Wan-Ting Chen
A comprehensive review of advanced chemical upcycling pathways transforming plastic waste into circular, high-value chemicals, fuels, and energy carriers.

1 November 2021 in Journal of Molecular Structure
Verified
Journal Article
Closed access
ZNZahid Nawaz
Zahid Nawaz
NGNevin Gürbüz
Nevin Gürbüz
MZMuhammad Naveed Zafar
Muhammad Naveed Zafar
NÖNamık Özdemir
Namık Özdemir
UHUzma Habib
Uzma Habib
IÖIsmail Özdemir
Ismail Özdemir

31 October 2020 in Crystals
Verified
Journal Article
Open access
PDF file
AAAbiodun A. Ajibola
Abiodun A. Ajibola
FMFouzia Malik
Fouzia Malik
KJKalsoom Jan
Kalsoom Jan
IAIbikunle I. Anibijuwon
Ibikunle I. Anibijuwon
SSSolomon E. Shaibu
Solomon E. Shaibu
Waldemar ManiukiewiczWaldemar Maniukiewicz
Waldemar Maniukiewicz
A new CuII complex (1) was synthesized by reacting 4-chlorobenzoic acid, benzimidazole and metal salt using ethanol–water (1:1 v/v) as a solvent at room temperature. The complex was characterized by single-crystal X-ray analysis, FTIR and UV—vis spectroscopy. A distorted square pyramidal geometry of the CuII center was observed from the single-crystal X-ray study, which also revealed that the uncoordinated oxygen atom of the carboxylate anions forms intermolecular hydrogen bonds with the N–H groups of the benzimidazole ligands. The Hirshfeld analysis results revealed that the molecular packing of 1 is mainly controlled by O...H (12.7%), Cl...H (16.4%), C...H (24.4%) and H...H (31.1%) contacts. Density functional theory (DFT) calculations were performed to compute the HOMO–LUMO energy gap and electrostatic potential map for the charge transfer regions within the molecule and identify the possible electrophilic and nucleophilic regions of the molecule. A number of reactivity parameters calculated on the basis of EHOMO and ELUMO show its significant polarizability and reactive nature. Complex 1 was also examined and screened for its potential antibacterial effect using the agar well diffusion method. The newly synthesized complex showed an effective and higher killing rate of the microbes in antibacterial testing compared to the parent ligand. The CuII complex (1) showed an enhanced inhibitory activity against P. aeruginosa and equally demonstrated greater binding affinity with DNA gyrase (1KIJ) compared to its ligands according to the molecular docking studies.

12 March 2025 in Applied Organometallic Chemistry
Verified
Journal Article
Closed access
SNSaira Nayab
Saira Nayab
KJKalsoom Jan
Kalsoom Jan
WKWaliullah Khan
Waliullah Khan
ASAmjad Subhan
Amjad Subhan
NNNhi Thi Xuan Nguyen
Nhi Thi Xuan Nguyen
HLHyosun Lee
Hyosun Lee