Explanipedia

Predicting UV-Vis Spectra of Benzothio/Dithiophene Polymers for Photodetectors by Machine-Learning-Assisted Computational Studies Open

Abrar U. Hassan, Mamduh J. Aljaafreh · 2025

The current study represents a machine-learning (ML)-assisted reverse polymer engineering for the rational design of high-performance benzothiophene (BT) benzodithiophene (BDT) polymers for photodetector applications. By integrating their …

Design and prediction of high optical density photovoltaic polymers using machine learning-DFT studies Open

Mamduh J. Aljaafreh, Abrar U. Hassan · 2025

This research provides a machine learning (ML) method to predict the optical density of photovoltaic (PV) polymers. The results show that extra gradient boosting regressor and random forest regressor are the best-performing models among al…

DFT simulations of photovoltaic parameters of dye‐sensitized solar cells with new efficient sensitizer of indolo[3, 2‐b]carbazole complexes Open

Muhammad Usman Khan, Abida Anwar, Abrar U. Hassan, Saad M. Alshehri, Amir Sohail · 2024

Developing economical and high‐performing sensitizers is crucial in advancing dye‐sensitized solar cells (DSSCs) and optoelectronics. This research paper explores the potential of novel red light‐absorbing organic dyes based on Indolo[3,2‐…

Synergistic charge-transfer dynamics of novel pyridoquinazolindone-containing triphenylamine-based push–pull chromophores: from structural optimization to performance metrics in photovoltaic solar cells and static, dynamic, solvent-dependent nonlinear optical response applications Open

Sehar Nadeem, Abida Anwar, Muhammad Usman Khan, Abrar U. Hassan, Khalid Abdullah Alrashidi · 2024

Modern technological breakthroughs depend on nonlinear optical (NLO) and photovoltaic (PV) materials, essential for creating advanced photonic devices and efficient solar cells.

Excited state dependent fast switching NLO behavior investigation of sp hybridized donor crystal as D-π-A push–pull switches Open

Cihat Güleryüz, Sajjad Hussain Sumrra, Abrar U. Hassan, Nyiang Kennet Nkungli, Muhammad Salman Muhsan , et al. · 2024

This research focused on the investigating electronic and optical properties of designed chromophores (TPTP1-TPTP5) to involve their comprehensive analysis, including geometry optimization, UV–Vis spectroscopy, analysis of the transition d…

Photovoltaic and Optical Characterization of Organic Heterocyclic 6,6′‐Dibromoindigotin Crystal Under Changing Solvent Polarity by DFT Analysis Open

Abrar U. Hassan, Sajjad Hussain Sumrra, Yuchuan Li · 2023

The photovoltaic and optical properties of 6,6′‐dibromoindigotin ( DBI ) crystal under changing solvent polarity are investigated through DFT analysis. It includes geometry optimization, global reactivity, UV–vis analysis, open circuit vol…

Thermo-mechanical analysis of additive manufacturing for material properties estimation of layered polymer composite Open

Usman Bashir, Abrar U. Hassan, Furqan Ahmed, Muhammad Zain-ul-abdein, Hajrah Mobeen , et al. · 2023

This paper proposes a numerical approach for predicting residual stresses induced during the additive manufacturing (AM) of polymer composites and their effect on the deformation behavior of the composites. A finite element (FE) model was …

Biosynthesis of Silver Nanoparticles Using Kitchen Vegetable Waste Extract for Application against Poultry Pathogens, Antimicrobial Activity, and Photocatalytic Dye Degradation Open

Muhammad Asif Amjad, Ayesha Mohyuddin, Mohsin Javed, Ahmad Alhujaily, Shahid Iqbal , et al. · 2023

Bacteria develop resistance against antimicrobial drugs, and new remediations are constantly being introduced in the market. Silver and its compounds have strong resistance against different bacteria. The vegetable waste extract-synthesize…

The Prevalence of Sickle Cell Trait Among School Students Males and Females in Taiz City-Yemen Open

Abdullah AbdulGabbar Ahmed Al-alimi, Safia Ali Saad, Marwa Bassam, Rofaida Ameen, Afnan Abu Baker , et al. · 2023

- Sickle cell disease (SCD) is the most common inherited disorders of hemoglobinopathies in the worldwide and represents a major public health problem in Arab countries especially Yemen. One of the most SCD is the asymptomatic heterozygote…

COMPUTATIONAL DESIGNING OF DEFERIPRONE BASED NOVEL DRUGS AS EFFICIENT ANTI-PARKINSON AGENTS Open

Abrar U. Hassan, Nyiang Kennet Nkungli, Cihat Güleryüz · 2023

Comprehensive and detailed density functional theory (DFT) computations are done herein at the M05-2X/6-31G(d) level of theory to scrutinize the interactions of Fe3+ ions with computationally designed deferiprone (DFP)-based novel complexi…

In silico investigation of falcipain-2 inhibition by hybrid benzimidazole-thiosemicarbazone antiplasmodial agents: A molecular docking, molecular dynamics simulation, and kinetics study Open

Nyiang Kennet Nkungli, Aymard Didier Tamafo Fouégué, Stanley Numbonui Tasheh, Fritzgerald Kogge Bine, Abrar U. Hassan , et al. · 2023

Theoretical Design of Efficient Small Molecules with sp2 Hybridized Nitrogen at Varying Positions for Organic Pull Push (ON/OFF) Solar Switches Open

Abrar U. Hassan, Sajjad Hussain Sumrra, Ayesha Mohyuddin, Cihat Güleryüz, Nyiang Kennet Nkungli · 2022

The efficacy of specific molecular acceptors in photovoltaic devices is determined by their chemical composition. Multiscale computations are required to protect investigation design and, as a result, efforts and money are saved. Using mul…

Structurally Modulated D-π-D- A(Semiconductor) Anchoring Dyes to Enhance the Tunable NLO Response: A DFT/TDDFT Quest For New Photovoltaic Materials Open

Abrar U. Hassan, Sajjad Hussain Sumrra, Muhammad Zubair, Ghulam Mustafa, Muhammad Faizan Nazar , et al. · 2022

In this paper, we show that dyes with anchoring groups and their stability for semiconductor TiO 2 surfaces with silyl unit in dye-sensitized solar cells (DSSCs). To investigate the efficacy of DSSCs, Density Functional Theory (DFT) calcul…

Efficient and Tunable Enhancement of NLO Performance for Indaceno Based Donor Moiety in A-π-D-π-D-π-A Type First DSSC Design by End Capped Acceptors Open

Abrar U. Hassan, Sajjad Hussain Sumrra, Ghulam Mustafa, Muhammad Faizan Nazar, Muhammad Nadeem Zafar · 2022

Using 2,2'-((4-heptyl-4,9,9-trihexyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b']dithiophene-2,7-diyl)bis(methanylylidene)bis(3-oxo-2,3-dihydro-1H-indene-1-yl-2-ylidene)dimalononitrile ( IDIC ) as a starting point, a series of non-fullerene accept…

Sulfonamide Derived <i>3d</i> Metal Complexes: Their Anti-Enzymatic (AChe/BChe, Protease, & Amylase) and Antimicrobial Profiling with Density Functional Theory Studies Based SARS Open

Abrar U. Hassan, Sajjad Hussain Sumrra, Ghulam Mustafa, Muhammad Nadeem Zafar, Muhammad Ashfaq , et al. · 2022

Theoretical probing of 3d nano metallic clusters as next generation non-linear optical materials Open

Abrar U. Hassan, Sajjad Hussain Sumrra, Nyiang Kennet Nkungli, Cihat Güleryüz · 2022

Metal incorporated aminothiazole-derived compounds: synthesis, density function theory analysis,<i>in vitro</i>antibacterial and antioxidant evaluation Open

Sajjad Hussain Sumrra, Zunaira Arshad, Wardha Zafar, Khalid Mahmood, Muhammad Ashfaq , et al. · 2021

The present study advocates the combined experimental and computational study of metal-based aminothiazole-derived Schiff base ligands. The structure and electronic properties of ligands have been experimentally studied by spectroscopic me…

THEORETICAL EVALUATION OF THE PERMEABILITY OF DISCHARGE ITEM (LiOOH) IN Li-O2 BATTERIES Open

Abrar U. Hassan, Cihat Güleryüz · 2021

Both lithium ions and protons have been directly implicated in oxygen reduction and evolutionary responses and lithium hydroperoxide and lithium hydroxide are recognized as prevailing discharge ingredients. Attributes of lithium hydroperox…

Optimized production of tannase and gallic acid from fruit seeds by solid state fermentation Open

Rida Arshad, Ayesha Mohyuddin, Shagufta Saeed, Abrar U. Hassan · 2021

Purpose: To investigate the possibility for gallic acid production from different tannin-rich fruit seeds using Aspergillus oryzae via solid-state fermentation. Methods: Fruit seeds of apple, guava, tamarind, black plum and watermelon wer…

CCDC 1903654: Experimental Crystal Structure Determination Open

Sajjad Hussain Sumrra, Abrar U. Hassan, Muhammad Imran, Muhammad Khalid, Ehsan Ullah Mughal , et al. · 2020

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

Synthesis, characterization, and biological screening of metal complexes of novel sulfonamide derivatives: Experimental and theoretical analysis of sulfonamide crystal Open

Sajjad Hussain Sumrra, Abrar U. Hassan, Muhammad Imran, Muhammad Khalid, Ehsan Ullah Mughal , et al. · 2020

This study reports the synthesis of sulfonamide‐derived Schiff bases as ligands L 1 and L 2 as well as their transition metal complexes [VO(IV), Fe(II), Co(II), Ni(II), Cu(II), and Zn(II)]. The Schiff bases (4‐{ E ‐[(2‐hydroxy‐3‐methoxyphe…

Synthesis of Carbon Nanoparticles by Using Seed Oils Open

Muhammad Salman Muhsan, Sohail Nadeem, Abrar U. Hassan, Ayesha Mohy Udd Din, Sammia Shahid , et al. · 2019

Preparation of Rechargeable Battery from Poultry Waste Open

Abrar U. Hassan, Ayesha Mohyuddin, Sakhawat Ali · 2018

Heavy Metal Content of Refined and Bakery Salts Consumed in Pakistan Open

Abrar U. Hassan, Sakhawat Ali, Salman Muhsen, Muhammad Rizwan · 2017

This study involved the investigation of heavy metal contents of 100 refined and an equal numberof bakery refined table salt samples collected from the local markets of Lahore, Faisalabad and Gujranwala,Pakistan. Levels of lead, copper, ca…

Chemical Characterisation of Himalayan Rock Salt Open

Abrar U. Hassan, Ayesha Mohy Udd Din, Sakhawat Ali · 2017

Present study involves the chemical evaluation of rock salt samples collected from the pluggingsites of Himalayan salt (Khewra salt mines and Kalabagh salt mines) for their moisture content, waterinsoluble matter, calcium, magnesium, sulph…

Determination of Heavy Metals in the Different Samples of Table Salt Open

Muhammad Aman Rizwan, Murtaza Haider, Abrar U. Hassan, Sakhawat Ali · 2017

Table salt is most widely used food additive around the globe. Any contamination to salt may lead to health hazards and ailments. In this study concentration of heavy metals were determined in different table salt sample. Twelve different …

Chemical Characterisation of Unrefined Rock Salt Deposits of Pakistan Open

Abrar U. Hassan, Sakhawat Ali, Ayesha Mohy Udd Din, Salman Muhsen · 2016

Different salt samples from mining sites of Bahadur Khel, Warcha and Jatta salt mines were collected during a survey to evaluate their parameters of purity like water insoluble matter, calcium, magnesium, sulphate and potassium contents.Tr…

CCDC 936419: Experimental Crystal Structure Determination Open

Ghulam Abbas, Abrar U. Hassan, Irfan Ahmad, Mariam Mir, Marya-Al-Rashida , et al. · 2016

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

Abrar U. Hassan YOU? Author Swipe