Influence of polar protic solvents on urea morphology: A combination of experimental and molecular modeling

N Shahrir, S Nurul'ain Yusop, N Anuar… - Crystal Growth & …, 2023 - ACS Publications
The modification of crystal shapes is used intensively in designing particles with desired
properties to ensure the efficiency of the manufacturing processes. In this work, urea crystals …

A Customized Symmetric Passivator to Improve the Efficiency and Stability of Inorganic CsPbI2Br Perovskite Solar Cells

A Sabri, C Zhang, A Sadrmousavi-Dizaj, J Duan… - Renewable Energy, 2025 - Elsevier
Defects in third-generation perovskite-based solar cells are mainly due to the weak
interconnections in their constituent structure and insufficient resistance to environmental …

Designing cellulose based biochars for CO2 separation using molecular simulations

B Barzegar, F Feyzi - Scientific Reports, 2025 - nature.com
This study investigates the pyrolysis mechanism of cellulose using reactive molecular
dynamics simulations to prepare biochars for CO2 separation applications. Six biochars with …

The role of solvent hydroxyl functional groups on the interaction energy and growth of Form I paracetamol crystal facets

N Shahrir, N Anuar, NA Abdul Muttalib… - … Process Research & …, 2022 - ACS Publications
The morphology of a crystal grown in a solvent can change depending on the solvent used
during the crystallization process. Modification of the morphology of a crystal can be …

Preparation of bio-absorbents by modifying licorice residue via chemical methods and removal of copper ions from wastewater

X Yin, N Zhang, M Du, H Zhu, T Ke - Water Science and …, 2021 - iwaponline.com
In this paper, a series of bio-adsorbents (LR-NaOH, LR-Na2CO3 and LR-CA) were
successfully prepared by modifying Licorice Residue (LR) with NaOH, Na2CO3 and citric …

Veracity of In Silico Approach for Designing Rivastigmine-Polymer Nano Complexes for Intranasal Delivery: Prediction and In Vitro Validation

V Kalra, O Silakari, AK Tiwary - Journal of Pharmaceutical Innovation, 2024 - Springer
Background Rivastigmine (RT), exhibits low oral availability (40%) and high hepatic first-
pass (36%). Circumventing the blood-brain barrier-related convolutions for successful brain …

Electric-Potential-Assisted Crystallisation of L-Isoleucine: A Study of Nucleation Kinetics and Its Associated Parameters

NSM Azmi, N Anuar, MF Othman, NFA Bakar, MN Naim - Crystals, 2021 - mdpi.com
The potential of producing L-isoleucine crystals with the aid of electric potential and its effect
on the nucleation kinetics of L-isoleucine were probed using polythermal and isothermal …

Intermolecular Interaction of Tween 80, Water and Butanol in Micelles Formation via Molecular Dynamics Simulation

J Zakaria, SR Abd Shukor… - IOP Conference Series …, 2020 - iopscience.iop.org
Micelles entrapment approach is one of the methods to synthesize silica nanoparticles as
carriers for drug delivery system. This method is useful in enhancing drug solubility, extend …

[PDF][PDF] Intranasal Delivery of Rivastigmine to Brain: In Silico Designed Nano Drug-Polymer Complexes

V Kalra, O Silakari, AK Tiwary - avestia.com
Drug delivery through the intranasal route via the olfactory region overcomes multifaceted
challenges vested in a variety of physiological, metabolic, and biochemical convolutions …