Search Results - "Khedri, Mohammad"
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Biomolecular engineering of drugs loading in Riboflavin-targeted polymeric devices: simulation and experimental
Published in Scientific reports (24-03-2022)“…The synthesis of polymeric nanoparticles (NPs) with efficient drug loading content and targeting moieties is an attractive field and remains a challenge in…”
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2
Molecular insight into COF monolayers for urea sorption in artificial kidneys
Published in Scientific reports (08-06-2021)“…Urea removal from an aqueous solution is considered a challenge in the biological process. The state of complete kidney destruction is known as an end-stage…”
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3
Improving the self-assembly of bioresponsive nanocarriers by engineering doped nanocarbons: a computational atomistic insight
Published in Scientific reports (02-11-2021)“…Here, molecular dynamics (MD) simulations were employed to explore the self-assembly of polymers and docetaxel (DTX) as an anticancer drug in the presence of…”
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4
Investigation of pH-dependent Paclitaxel delivery mechanism employing Chitosan-Eudragit bioresponsive nanocarriers: a molecular dynamics simulation
Published in Journal of biological engineering (09-09-2024)“…Before embarking on any experimental research endeavor, it is advisable to do a mathematical computation and thoroughly examine the methodology. Despite the…”
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5
Physico-chemical characterization and anti-laryngeal cancer effects of the gold nanoparticles
Published in Arabian journal of chemistry (01-04-2023)“…Most recently, gold nanoparticles due to anticancer properties have been considered in medical science. So the aim of the study was green synthesis of gold…”
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6
Molecular insight into optimizing the N- and P-doped fullerenes for urea removal in wearable artificial kidneys
Published in Journal of materials science. Materials in medicine (01-05-2021)“…Urea is the result of the breakdown of proteins in the liver, the excess of which circulates in the blood and is adsorbed by the kidneys. However, in the case…”
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7
Artificial Intelligence Deep Exploration of Influential Parameters on Physicochemical Properties of Curcumin‐Loaded Electrospun Nanofibers
Published in Advanced NanoBiomed Research (Online) (01-06-2022)“…Artificial intelligence (AI) methods are explosively considered in the design and optimization of drug discovery and delivery systems. Herein, machine learning…”
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Shedding Light on Miniaturized Dialysis Using MXene 2D Materials: A Computational Chemistry Approach
Published in ACS omega (09-03-2021)“…Materials science can pave the way toward developing novel devices at the service of human life. In recent years, computational materials engineering has been…”
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In-silico study on perovskites application in capturing and distorting coronavirus
Published in Informatics in medicine unlocked (2021)“…The COVID-19 pandemic, known as coronavirus pandemic, a global pandemic, emerged from the beginning of 2020 and became dominant in many countries. As COVID-19…”
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10
Molecular scale study on the interactions of biocompatible nanoparticles with macrophage membrane and blood proteins
Published in Nano select (01-08-2022)“…Macrophage targeting and researches centered on immunological responses have received interest thanks to studies unveiling the significant role of macrophages…”
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Experimental and Computational Study on the Microfluidic Control of Micellar Nanocarrier Properties
Published in ACS omega (14-09-2021)“…Microfluidic-based synthesis is a powerful technique to prepare well-defined homogenous nanoparticles (NPs). However, the mechanisms defining NP properties,…”
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12
A molecular investigation of urea and creatinine removal in the wearable dialysis device using Two-Dimensional materials
Published in Applied surface science (15-11-2021)“…[Display omitted] •In this novel work, the elimination of urea and creatinine by two-dimensional (2D) structures has been computationally investigated.•All 2D…”
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13
Microfluidic Engineering of RGD[1]‐Terminated Nanocarriers Micellization and In‐Situ Docetaxel Encapsulation: An Atomistic Insight
Published in ChemistrySelect (Weinheim) (12-04-2022)“…The interactions between ligands and polymers are of great interest to drug delivery researches. In this work for the first time, Poly (lactic‐co‐glycolic…”
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14
Bilayer asymmetric-based metal-organic frameworks membrane for blue energy conversion
Published in Desalination (11-12-2024)“…The conversion of Gibbs free energy at the interface of solutions with salinity gradients into electrical energy is essentially a means of mitigating…”
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Removal of Pharmaceutical Pollutants from Wastewater Using 2D Covalent Organic Frameworks (COFs): An In Silico Engineering Study
Published in Industrial & engineering chemistry research (29-06-2022)“…The increasing amounts of emerging contaminants (ECs) in aquatic ecosystems are becoming one of the serious environmental issues. Therefore, the efficient…”
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An insight into the role of riboflavin ligand in the self-assembly of poly(lactic-co-glycolic acid)-based nanoparticles - a molecular simulation and experimental approach
Published in Soft matter (10-06-2020)“…Nanoparticles (NPs) used for targeted delivery purposes are rapidly gaining importance in diagnostic and therapeutic fields. These agents have been studied…”
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17
Effect of ligand conjugation site on the micellization of Bio-Targeted PLGA-Based nanohybrids: A computational biology approach
Published in Journal of biomolecular structure & dynamics (21-06-2022)“…In this study, the effect of ligand binding position on the polymeric nanoparticles (NPs) is based on poly(lactic-co-glycolic acid) (PLGA) with two different…”
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18
Mechanistic Engineering of Highly Selective COF-OEt/PSS on the HKUST-1/PSS Membrane for Lithium-Ion Extraction
Published in Industrial & engineering chemistry research (08-11-2023)“…The substantial and unexpected increase in the demand for electric vehicles that use lithium-ion batteries has disrupted the Li supply–demand balance. Although…”
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Removal of phenazopyridine as a pharmacological contaminant using nanoporous metal/covalent-organic frameworks (MOF/COF) adsorbent
Published in Applied materials today (01-12-2021)“…•First molecular dynamics investigation for removal of PHP contaminant by MOFs.•Using the DFT calculation and CG simulation for validating results.•High…”
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Atomistic insight into 2D COFs as antiviral agents against SARS-CoV-2
Published in Materials chemistry and physics (15-01-2022)“…The recent pandemic of COVID‐19 has raised global health concerns. Preventing severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) activity in the body…”
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