Search Results - "Mahmoud, Amna H. M"
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On the Use of Graphene Nanosheets for Drug Delivery: A Case Study of Cisplatin and Some of Its Analogs
Published in Pharmaceutics (01-06-2023)“…Graphene (GN) nanosheets have been widely exploited in biomedical applications as potential nanocarriers for various drugs due to their distinct physical and…”
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Adsorption of Favipiravir on pristine graphene nanosheets as a drug delivery system: a DFT study
Published in RSC advances (09-06-2023)“…The efficiency of pristine graphene (GN) in the delivery process of the Favipiravir (FPV) anti-COVID-19 drug was herein revealed within the FPV GN complexes in…”
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Density functional theory study of the corrosion inhibition performance of 6-mercaptopurine and 6-thioguanine expired drugs toward the aluminium (111) surface
Published in RSC advances (04-10-2023)“…The potentiality of the 6-mercaptopurine ( MP ) and 6-thioguanine ( TG ) expired drugs toward the corrosion inhibition of the aluminium (Al) (111) surface was…”
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Adsorption Features of Tetrahalomethanes (CX4; X = F, Cl, and Br) on β12 Borophene and Pristine Graphene Nanosheets: A Comparative DFT Study
Published in Molecules (Basel, Switzerland) (18-07-2023)“…The potentiality of the β12 borophene (β12) and pristine graphene (GN) nanosheets to adsorb tetrahalomethanes (CX4; X = F, Cl, and Br) were investigated using…”
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Borophene and Pristine Graphene 2D Sheets as Potential Surfaces for the Adsorption of Electron-Rich and Electron-Deficient π-Systems: A Comparative DFT Study
Published in Nanomaterials (Basel, Switzerland) (21-03-2022)“…The versatility of striped borophene (sB), borophene ( ), and pristine graphene (GN) to adsorb π-systems was comparatively assessed using benzene (BNZ) and…”
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Adsorption Behavior of Toxic Carbon Dichalcogenides (CX2; X = O, S, or Se) on β12 Borophene and Pristine Graphene Sheets: A DFT Study
Published in Nanomaterials (Basel, Switzerland) (29-09-2022)“…The adsorption of toxic carbon dichalcogenides (CX2; X = O, S, or Se) on β12 borophene (β12) and pristine graphene (GN) sheets was comparatively investigated…”
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Comparative investigation of ±σ–hole interactions of carbon-containing molecules with Lewis bases, acids and di-halogens
Published in Chemical papers (01-10-2020)“…Herein, the potentiality of carbon-containing molecules (W–C–F 3 , where W is a withdrawing atom or group) to interact with Lewis bases (B), Lewis acids (A)…”
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RuC nanosheet as a promising biosensing material for detecting the aromatic amino acids: a DFT study
Published in Nanoscale advances (25-10-2024)“…Density functional theory (DFT) calculations were performed to examine the potential of the RuC nanosheet as a biosensor towards the aromatic amino acids (AAA;…”
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On the efficiency of barbituric acid and its thio derivatives as aluminium corrosion inhibitors: A computational study
Published in Journal of molecular liquids (01-08-2023)“…[Display omitted] •Corrosion inhibition efficiency of barbituric acid and its thio derivatives toward aluminium surface is elucidated.•Molecular dynamics…”
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Allopurinol, oxypurinol, and thiopurinol expired drugs as corrosion inhibitors toward Al (111) surface: a DFT and FPMD simulation study
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Adsorption Features of Tetrahalomethanes on Iβ/I[sub.12] Borophene and Pristine Graphene Nanosheets: A Comparative DFT Study
Published in Molecules (Basel, Switzerland) (01-07-2023)“…The potentiality of the β[sub.12] borophene (β[sub.12]) and pristine graphene (GN) nanosheets to adsorb tetrahalomethanes (CX[sub.4]; X = F, Cl, and Br) were…”
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Adsorption Behavior of Toxic Carbon Dichalcogenides (CX 2 ; X = O, S, or Se) on β 12 Borophene and Pristine Graphene Sheets: A DFT Study
Published in Nanomaterials (Basel, Switzerland) (29-09-2022)“…The adsorption of toxic carbon dichalcogenides (CX2; X = O, S, or Se) on β12 borophene (β12) and pristine graphene (GN) sheets was comparatively investigated…”
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Adsorption Behavior of Toxic Carbon Dichalcogenides on Iβ/I[sub.12] Borophene and Pristine Graphene Sheets: A DFT Study
Published in Nanomaterials (Basel, Switzerland) (01-09-2022)“…The adsorption of toxic carbon dichalcogenides (CX[sub.2]; X = O, S, or Se) on β[sub.12] borophene (β[sub.12]) and pristine graphene (GN) sheets was…”
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14
Adsorption Features of Tetrahalomethanes (CX 4 ; X = F, Cl, and Br) on β 12 Borophene and Pristine Graphene Nanosheets: A Comparative DFT Study
Published in Molecules (Basel, Switzerland) (18-07-2023)“…The potentiality of the borophene ( ) and pristine graphene (GN) nanosheets to adsorb tetrahalomethanes (CX ; X = F, Cl, and Br) were investigated using…”
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