Search Results - "M. Bouachrine"

Moroccan Medicinal plants as inhibitors against SARS-CoV-2 main protease: Computational investigations by Aanouz, I., Belhassan, A., El-Khatabi, K., Lakhlifi, T., El-ldrissi, M., Bouachrine, M.

“…The new Corona-virus, recently called the severe acute respiratory syndrome Coronavirus (SARS-CoV-2) appears for the first time in China and more precisely in…”
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Theoretical study of new conjugated compounds with a low bandgap for bulk heterojunction solar cells: DFT and TD-DFT study by Raftani, M., Abram, T., Bennani, N., Bouachrine, M.

“…Bulk heterojunction solar cells have attracted scientific and economic interest in recent years, and have just been one of the future photovoltaic technologies…”
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Theoretical design of D-π-A system new dyes candidate for DSSC application by Kacimi, R., Raftani, M., Abram, T., Azaid, A., Ziyat, H., Bejjit, L., Bennani, M.N., Bouachrine, M.

“…Currently, dye-sensitized solar cells (DSSCs) are one of the energy technologies that has piqued the interest of researchers, due to their distinct…”
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Computational Investigation with Toxicophore Study of 1,2,3-Triazole Derivatives as an Effective Inhibitor Against Prostate Cancer by Koubi, Y., Moukhliss, Y., Abdessadak, O., Alaqarbeh, M., Ajanaa, M. A., Maghat, H., Lakhlifi, T., Bouachrine, M.

“…Prostate cancer is a well-known disease that has gained significant attention in recent years. To improve and suggest new compounds with anticancer activity,…”
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Molecular Design of D-π-A-A Organic Dyes Based on Triphenylamine Derivatives with Various Auxiliary Acceptors for High Performance DSSCs by Slimi, A., Fitri, A., Touimi Benjelloun, A., Elkhattabi, S., Benzakour, M., Mcharfi, M., Bouachrine, M.

“…In this work, 11 newly designed organic dyes with D- π -A-A structure based on a 3D triphenylamine derivative known as indacenodithiophene-triphenylamine…”
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Theoretical study of the effects of modifying the structures of organic dyes based on N,N-alkylamine on their efficiencies as DSSC sensitizers by ElKhattabi, S., Hachi, M., Fitri, A., Benjelloun, A. T., Benzakour, M., Mcharfi, M., Bouachrine, M.

“…In this work, we carried out a theoretical study in which DFT and TD-DFT calculations of a series of six new organic dyes that incorporate N , N -alkylamine as…”
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Drafting novel N-phenylnaphthalen-1-amine-based dyes for designing highly proficient organic solar cells: theoretical investigation of the π-linker influence on photovoltaic properties by Kacimi, R., Iqbal, J., Louazri, L., Alioui, A., Hamidi, M., Bejjit, L., Bennani, M. N., Bouachrine, M.

“…Four novel Donor- π -Acceptor (D- π -A) type dyes have been drafted and theoretically assessed via densityfunctional theory (DFT) and time-dependent density…”
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Synthesis, characterization, DFT and TD-DFT studies of novel carbazole-based copolymer used in high efficient dye-sensitized solar cells by Bouzayen, N., Sadki, H., Mbarek, M., Bouachrine, M., Bennani, M.N., Wéry, J., Alimi, K.

“…New donor-acceptor based copolymer incorporating carbazole as electron donor molecule and benzothiazole as electron withdrawing one has been designed and…”
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Structure–property relationships of soluble poly(2,5-dibutoxyethoxy-1,4-phenylene-alt-2,5-thienylene) (PBuPT) for organic-optoelectronic devices by Ayachi, S., Ghomrasni, S., Bouachrine, M., Hamidi, M., Alimi, K.

“…► Soluble PBuPT copolymer with intra-molecular S⋯O interactions. ► A combined modeling and experimental analysis is applied in this study. ► Theoretical…”
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Computational Prediction of Spiropyrazoline Derivatives as Potential Acetylcholinesterase Inhibitors for Alzheimer’s Disease Treatment by Alaouy, M. A. El, Alaqarbeh, M., Bahi, S. El, Boutalaka, M., Esslali, S., Sbai, A., Maghat, H., Guenoun, F., Choukrad, M., Lakhlifi, T., Bouachrine, M.

“…Objective: Acetylcholinesterase (AChE) is a crucial enzyme in the nervous system that catalyzes the degradation of acetylcholine, a neurotransmitter. Its…”
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A Theoretical Investigation on the Corrosion Inhibition of Copper by Quinoxaline Derivatives in Nitric Acid Solution by Zarrouk, A., Zarrok, H., Salghi, R., Hammouti, B., Al-Deyab, S.S., Touzani, R., Bouachrine, M., Warad, I., Hadda, T.B.

“…In the present work, a theoretical study of two quinoxaline-type organic compounds, (2Z)-2-[(3E)-3- (2-oxo-2-phenylethylidene)-3, 4-dihydroquinoxalin-2(1…”
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Inhibition of copper corrosion by bipyrazole compound in aerated 3% NaCl by Hammouti, B., Dafali, A., Touzani, R., Bouachrine, M.

“…The corrosion behaviour of copper in aerated 3% NaCl solution was investigated by rotating electrode at various rates. The reduction of O2 obeys the Levich…”
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3D QSAR Modeling and Molecular Docking Studies on a Series of Triazole Analogues as Antibacterial Agents by Ghaleb, A., Aouidate, A., Sbai, A., Bouachrine, M., Lakhlifi, T.

“…The 3D QSAR analysis using the comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) techniques is…”
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QSPR Study of the Retention/Release Property of Odorant Molecules in Water, Dairy and Pectin gels by Belhassan, A., Chtita, S., Lakhlifi, T., Bouachrine, M.

“…As continuation of our research work on the development and prediction of retention/release property of odorant molecules in Water and pectin gels, in this…”
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The optoelectronic properties of π-conjugated organic molecules based on terphenyl and pyrrole for BHJ solar cells: DFT / TD-DFT theoretical study by Raftani, M., Abram, T., Loued, W., Kacimi, R., Azaid, A., Alimi, K., Bennani, M. N., Bouachrine, M.

“…In the present paper, four π-conjugated materials, based on terphenyl and pyrrole, with A–D–A structure have been theoretically studied to propose new organic…”
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Theoretical Investigations on the Electronic and Optical Properties of Bridged Oligothiophenes by Bouzzine, S. M, Hamidi, M, Bouachrine, M, Serien-Spirau, F, Lère Porte, J.-P, Sotiropoulos, J.-M, Iraqi, A

“…A study of the structure, electronic, and optical properties of oligothiophenes is reported. Geometry optimizations of the ground state of derivatives of these…”
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Alizarin red: An efficient Inhibitor of C38 Steel Corrosion in Hydrochloric Acid by Hmamou, D. Ben, Salghi, R., Zarrouk, A., Zarrok, H., Hammouti, B., Al-Deyab, S.S., Bouachrine, M., Chakir, A., Zougagh, M.

“…Corrosion inhibition efficiency of alizarin red (AZR) as corrosion inhibitor on C38 steel in acid solution was investigated by means of weight loss,…”
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Nonlinear optical response of D-π-A chromophores based on benzoxazin: quantum modification of π‑spacer by Azaid, A., Abram, T., Kacimi, R., Raftani, M., Khaddam, Y., Nebbach, D., Sbai, A., Lakhlifi, T., Bouachrine, M.

“…In this research article, four chromophores based on benzoxazine as the electron donor and tricyanovinyl dihydrofuran (TCF) as the electron acceptor have been…”
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Quantum Chemical Studies on the Inhibiting Effect of Bipyrazoles on Steel Corrosion in HCl by K. Laarej, M. Bouachrine, S. Radi, S. Kertit, B. Hammouti

“…Correlation of the efficacy of some bipyrazoles, N,N-bis(3,5-dimethyl-pyrazol-1-ylmethyl)-cyclohexylamine (Bip 1),…”
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Organic materials based on thiophene and benzothiadiazole for organic solar cells. Computational investigations by Kacimi, R., Chemek, M., Azaid, A., Bennani, M.N., Alimi, K., Bejjit, L., Bouachrine, M.

“…In this paper, wepresent new organics chemical structures of pendant phenyl ester-substituted thiophene and benzothiadiazole based copolymers leading to donor…”
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