First-Principles Study on Optoelectronic and Photovoltaic Properties in a P3HT/PCBM Complex

Volume 11, Issue 2, June 2023, Pages 299-313

Ahlam Elghazali; Abdelkhalk Aboulouard; Said Zouitina; Salima Atlas; Mohamed Idrissi; Abdessamad Tounsi

First-Principles Study on Optoelectronic and Photovoltaic Properties in a P3HT/PCBM Complex


Relaxation Processes in a Dimethylimidazolium Chloride-methanol System

Volume 9, Issue 2, June 2021, Pages 301-310

N. Atamas; D. Gavryushenko; M. Bakumenko; K. Yablochkova; Maxim Lazarenko

Relaxation Processes in a Dimethylimidazolium Chloride-methanol System


Adsorption of the Methylene Blue Dye in Environmental Water Samples by Biochar Obtained from the Valorization of Argan Shells

Volume 10, Issue 3, September 2022, Pages 301-313

Abdessamad Ouedrhiri; Youssef Lghazi; Jihane Bahar; Mohammed Ait Himi; Chaimaa El Haimer; Boubaker Youbi; Mostafa Khoukhi; Ytto Bimaghra

Adsorption of the Methylene Blue Dye in Environmental Water Samples by Biochar Obtained from the Valorization of Argan Shells


RSM Optimized Adsorption of Eriochrome Black T Dye onto Alumina Nanoprticles: Isotherm and Kinetics Studies

Volume 11, Issue 2, June 2023, Pages 315-326

Abdu Muhammad Bello; Naziru Alhassan Muhammad; Abubakar Hamisu

RSM Optimized Adsorption of Eriochrome Black T Dye onto Alumina Nanoprticles: Isotherm and Kinetics Studies


Dielectric Properties of Ultra-Low Dielectric Constant PVA-Pentaerythritol/MnO2 Nanocomposite

Volume 10, Issue 3, September 2022, Pages 325-331

Sundus Hadi Merza; Enaam Fadil Mousa

Dielectric Properties of Ultra-Low Dielectric Constant PVA-Pentaerythritol/MnO2 Nanocomposite


Enhanced Removal of Brilliant Orange by Poly(4-vinylpyridine)/Acid-Activated Bentonite Composite

Volume 11, Issue 2, June 2023, Pages 327-339

Hocine Tayeb; Benabadji Kamel Ismet; Bouras Brahim; Zennaki Assia; Benali Ahmed

Enhanced Removal of Brilliant Orange by Poly(4-vinylpyridine)/Acid-Activated Bentonite Composite


Experimental and Theoretical Spectroscopic Studies of the Electronic Structure of 2-Ethyl-2-phenylmalonamide

Volume 10, Issue 3, September 2022, Pages 333-344

Selvaraj S; Ram Kumar A; Ahilan T; Kesavan M; Goncagul Serdaroglu; Rajkumar P; Mani M; Gunasekaran S; Kumaresan S

Experimental and Theoretical Spectroscopic Studies of the Electronic Structure of 2-Ethyl-2-phenylmalonamide


Computational Investigation of Polo-like Kinase 1 (plk1): Inhibitive Potential of Benzimidazole-Carbonamide Derivatives for Cancer Treatment

Volume 12, Issue 2, June 2024, Pages 333-348

Nureni Ipinloju; Toheeb Adewale Balogun; Oluwatoba Emmanuel Oyeneyin; Abdulwasiu Ibrahim; TIMOTHY OLUWASEUN ESAN; Abiodun Vestor Emmanuel; Kabir Abidemi Bello; Gbenga David Omiyeniyi; Moses Akintunde Adeyemo

Computational Investigation of Polo-like Kinase 1 (plk1): Inhibitive Potential of Benzimidazole-Carbonamide Derivatives for Cancer Treatment


Insights into the Electronic Properties of Coumarins: A Comparative Study Synthesis, Characterization, and Theoretical Study of New Peptides Obtained by Opening Reactions of Sulfahydantoins

Volume 11, Issue 2, June 2023, Pages 341-352

Bouchouk Djamel; Abbaz Tahar; Azouz Mounir; Bendjeddou Amel; Gouasmia Abdelkrim; Villemin Didier

Insights into the Electronic Properties of Coumarins: A Comparative Study Synthesis, Characterization, and Theoretical Study of New Peptides Obtained by Opening Reactions of Sulfahydantoins


Phase Equilibria of PEG/Sulfate Salt Aqueous Two-Phase Systems: Effects of pH and Molecular Weight of Polymer

Volume 9, Issue 3, September 2021, Pages 345-360

Mohsen Pirdashti; Zahra Heidari; Seyyed Mohammad Arzideh; Ianatul Khoiroh; Shakiba Shabani; Nahid Abbasi Fashami

Phase Equilibria of PEG/Sulfate Salt Aqueous Two-Phase Systems: Effects of pH and Molecular Weight of Polymer


Combined 3D-QSAR and Molecular Docking Analysis of Styrylquinoline Derivatives as Potent anti-cancer Agents

Volume 10, Issue 3, September 2022, Pages 345-362

Rania Kasmi; Mohammed Bouachrine; Abdelkrim Ouammou

Combined 3D-QSAR and Molecular Docking Analysis of Styrylquinoline Derivatives as Potent anti-cancer Agents


Prediction of Novel TRPV1 Antagonist: A Combination of 3D-QSAR, Molecular Docking, MD Simulations and ADMET Prediction

Volume 11, Issue 2, June 2023, Pages 353-368

Toughzaoui Abdelilah; Chedadi Oussama; Abdellah El Aissouq; El Ouardi Youssef; Mohammed Bouachrine; Abdelkrim Ouammou

Prediction of Novel TRPV1 Antagonist: A Combination of 3D-QSAR, Molecular Docking, MD Simulations and ADMET Prediction


Industrial By-Products as Potentially Economic and Promising Adsorbents for Removing Dyes from Effluents: A Review Study

Volume 12, Issue 2, June 2024, Pages 361-382

Sajad Tamjidi; Bahareh Kamyab Moghadas; Pegah Abdollahi; Nazli Parnian; Arezoo Farhadi

Industrial By-Products as Potentially Economic and Promising Adsorbents for Removing Dyes from Effluents: A Review Study


Identification of a Potential Thiazole Inhibitor Against Biofilms by 3D QSAR, Molecular Docking, DFT Analysis, MM-PBSA Binding Energy Calculations, and Molecular Dynamics Simulation

Volume 11, Issue 2, June 2023, Pages 369-389

Kamal Tabti; Halima Hajji; Abdelouahid Sbai; Hamid Maghat; Mohammed Bouachrine; Tahar Lakhlifi

Identification of a Potential Thiazole Inhibitor Against Biofilms by 3D QSAR, Molecular Docking, DFT Analysis, MM-PBSA Binding Energy Calculations, and Molecular Dynamics Simulation


Comparative Study of Glyphosate Adsorption on Armchair CNT(5.5) and BNNT(5.5): A DFT Study

Volume 9, Issue 3, September 2021, Pages 373-384

Safia Bouhara; Dalila Hammoutène

Comparative Study of Glyphosate Adsorption on Armchair CNT(5.5) and BNNT(5.5): A DFT Study


Excess Speed of Sound and Excess Molar Isentropic Compressibility in Binary Mixtures of Selected Amines in 2-Methoxy Ethanol at Various Temperatures

Volume 10, Issue 3, September 2022, Pages 379-390

M Narasaiah; Narendra Kolla; P Bharat; Srinivasa Krishna Tadikonda; D Ramachandran

Excess Speed of Sound and Excess Molar Isentropic Compressibility in Binary Mixtures of Selected Amines in 2-Methoxy Ethanol at Various Temperatures