Search Results - "Mohammed, Ahmed A. K"

Ultrastable Conjugated Microporous Polymers Containing Benzobisthiadiazole and Pyrene Building Blocks for Energy Storage Applications by Mohamed, Mohamed Gamal, Mansoure, Tharwat Hassan, Samy, Maha Mohamed, Takashi, Yasuno, Mohammed, Ahmed A K, Ahamad, Tansir, Alshehri, Saad M, Kim, Jeonghun, Matsagar, Babasaheb M, Wu, Kevin C-W, Kuo, Shiao-Wei

“…In recent years, conjugated microporous polymers (CMPs) have become important precursors for environmental and energy applications, compared with inorganic…”
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Solvatochromism of new tetraphenylethene luminogens: integration of aggregation-induced emission and conjugation-induced rigidity for emitting strongly in both solid and solution state by Saddik, Abdelreheem A, Mohammed, Ahmed A. K, Talloj, Satish K, Kamal El-Dean, Adel M, Younis, Osama

“…In this study, we synthesized and characterized four tetraphenylethene (TPE) analogs, investigated their photophysical properties, and conducted quantum…”
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Finding optimal finite field strengths allowing for a maximum of precision in the calculation of polarizabilities and hyperpolarizabilities by Mohammed, Ahmed A. K., Limacher, Peter A., Champagne, Benoît

“…The finite field method, widely used for the calculation of static dipole polarizabilities or the first and second hyperpolarizabilities of molecules and…”
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Finite Field Method for Nonlinear Optical Property Prediction Using Rational Function Approximants by Patel, Anand H. G, Mohammed, Ahmed A. K, Limacher, Peter A, Ayers, Paul W

“…The finite field (FF) method is a quick, easy-to-implement tool for the prediction of nonlinear optical properties. Here, we present and explore a novel…”
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Drug release by pH-responsive molecular tweezers: Atomistic details from molecular modeling by Mohammed, Ahmed A. K., Burger, Steven K., Ayers, Paul W.

“…pH‐responsive molecular tweezers have been proposed as an approach for targeting drug‐delivery to tumors, which tend to have a lower pH than normal cells. We…”
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Computational Studies on the Reaction from Silyl 1,4-Dilithio 1,3-butadiene to Lithio Silole by Kim, Chang Kon, Mohammed, Ahmed A. K., Wee, Eugene, Sohn, Chang Kook, Kim, Chan Kyung

“…The reaction mechanisms forming lithio silole, 2, from silyl 1,4‐dilithio 1,3‐butadiene, 1, were examined theoretically at the CCSD/6‐31+G(d)//B3LYP/6‐31+G(d)…”
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Synthesis and Properties of Ethyl, Propyl, and Butyl Hexa-alkyldisilanes and Tetrakis(tri-alkylsilyl)silanes by Ahmed, Mohammed A. K., Wragg, David S., Nilsen, Ola, Fjellvåg, Helmer

“…The preparation of (R3Si)4Si (R = ethyl, n‐propyl, iso‐propyl, n‐butyl, and iso‐butyl) was attempted using the procedure reported for [(CH3)3Si)]4Si.1 The type…”
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Anthraquinone-Enriched Conjugated Microporous Polymers as Organic Cathode Materials for High-Performance Lithium-Ion Batteries by Mohamed, Mohamed Gamal, Sharma, Santosh U, Yang, Cheng-Han, Samy, Maha Mohamed, Mohammed, Ahmed A. K, Chaganti, Swetha V, Lee, Jyh-Tsung, Wei-Kuo, Shiao

“…Extended π-conjugated microporous polymers (CMPs) are useful as organic anode or cathode materials in lithium-ion batteries (LIBs), overcoming the issue of…”
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Design and synthesis of novel indole derivatives with aggregation-induced emission and antimicrobial activity by Sayed, Mostafa, Younis, Osama, Hassanien, Reda, Ahmed, Mostafa, Mohammed, Ahmed A.K., Kamal, Adel M., Tsutsumi, Osamu

“…New heterocyclic compounds containing indolylthienopyrimidine have been synthesized and their photophysical measurements gave “aggregation-induced emission”…”
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Molecular conformation, vibrational spectroscopic and NBO analysis of atenolol and atenolol-hydrochlorothiazide cocrystals by Gad El-hak, Amal S.M., Mohammed, Ahmed A.K., Abdel Hakiem, Ahmed F., Mahfouz, Refaat M.

“…Geometry optimization of atenolol (ATN) in the gas phase was carried out using B3LYP-D3BJ/6–31++G(d,p), CAM-B3LYP/6–31++G(d,p) and M06-2X/6–31++G(d,p) levels…”
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Solid-State Luminescent Materials Containing Both Indole and Pyrimidine Moieties: Design, Synthesis, and Density Functional Theory Calculations by Younis, Osama, Sayed, Mostafa, Mohammed, Ahmed A.K, Tolba, Mahmoud S, Hassanien, Reda, Kamal El-Dean, Adel M, Tsutsumi, Osamu, Ahmed, Mostafa

“…Heterocyclic compounds with effective solid-state luminescence offer a wide range of uses. It has been observed that combining pyrimidine and indole moieties…”
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Structure and Polymorphism of M(thd)3 (M = Al, Cr, Mn, Fe, Co, Ga, and In) by Ahmed, Mohammed A. K., Fjellvåg, Helmer, Kjekshus, Arne, Wragg, David S.

“…Formation, crystal structure, polymorphism, and transition between polymorphs are reported for M(thd)3, (M = Al, Cr, Mn, Fe, Co, Ga, and In) [(thd)– = anion of…”
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Conjugated microporous polymers containing ferrocene units for high carbon dioxide uptake and energy storage by Samy, Maha Mohamed, Sharma, Santosh U., Mohamed, Mohamed Gamal, Mohammed, Ahmed A.K., Chaganti, Swetha V., Lee, Jyh-Tsung, Kuo, Shiao-Wei

“…In this study, we employed facile aminative cyclizations (Chichibabin pyridine reactions) of 1,1′-diacetylferrocene (AFC) with aryl aldehydes to prepare…”
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Experimental and computational explorations for the inhibitive performances of synthesized green surfactants against the corrosion of copper in nitric acid by Alqarni, Nada, El-Gammal, Belal, Fargaly, Thoraya A., Mohammed, Ahmed A.K., Fawzy, Ahmed

“…•Two surfactants namely, sodium N-hexadecyl glycine (I) and sodium N-hexadecyl valine (II) were used to inhibit the copper corrosion in 1.0 M HNO3 at variance…”
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New AIEgens based on thieno[2,3-d]pyrimidine derivatives: Synthesis, DFT calculations, and molecular docking by Ebrahim, Amira Zaki, Mohammed, Ahmed A.K., Ahmed, Mostafa, Kamal El-Dean, Adel M., Tolba, Mahmoud S.

“…•Synthesis of new thieno[2,3-d]pyrimidine derivatives as new AIEgens.•Controlling molecular aggregation tuned relative emission intensity at short and long…”
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Innovative β-ketoenamine-linked covalent organic frameworks: Tailored D1-A-D2-A structure for highly efficient photocatalytic degradation of organic pollutants by Xiao, Yun-Zhen, Mohammed, Ahmed A.K., Kuo, Shiao-Wei, EL-Mahdy, Ahmed F.M.

“…The D1-A-D2-A structure of two donor–acceptor β-ketoenamine-linked covalent organic frameworks improves the photocatalytic degradation of cationic and anionic…”
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Efficient synthesis of main chain thermosetting polybenzoxazine resin containing tert-butylcyclohexanone and diphenylmethane units for supercapacitor energy storage by Aly, Kamal I., Mostafa Ebrahium, Shymaa, Abdelhamid, Hani Nasser, El-Bery, Haitham M., Mohammed, Ahmed A.K., Huang, Cheng-Wei, Gamal Mohamed, Mohamed

“…[Display omitted] •A new type of DADCA-DADPM BZ was successfully prepared through Mannich condensation.•Poly(DADCA-DADPM BZ) was prepared via ROP of…”
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Computational evaluation on the molecular conformation, vibrational spectroscopy, NBO analysis and molecular docking of betaxolol and betaxolol-chlorthalidone cocrystals by Mohammed, Khloud, Mohammed, Ahmed A.K., Abdel Hakiem, Ahmed F., Mahfouz, Refaat M.

“…In this work, we will report a combined experimental and theoretical study on the molecular structures of betaxolol and betaxolol. HCl drug in monomeric and…”
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Carbon Nano-Dots based potentiometric sensor for the assay of the antiviral agent; Valacyclovir: In-Depth DFT Calculations, application to the pharmaceutical formulation and greenness assessment by Abdel Hakiem, Ahmed Faried, Kamal, Ahmed Mohsen, Aboraia, Ahmed Safwat, Mahfouz, Refaat M, Mohammed, Ahmed A.K., Naguib, Ibrahim A., Draz, Mohammed E.

“…[Display omitted] •Valacyclovir, as a prodrug for acyclovir, provides superior bioavailability and efficiency in managing Coronavirus infections.•The…”
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Predicting optimal finite field strengths for calculating the first and second hyperpolarizabilities using simple molecular descriptors by Mohammed, Ahmed A.K., Limacher, Peter A., Ayers, Paul W.

“…[Display omitted] •Dependence of first and second hyperpolarizabilities on field strength was studied.•Correlation of optimal field strengths with molecular…”
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