Mohamed S A Abdel-Mottaleb

Mohamed S A Abdel-Mottaleb
Ain Shams University · Department of Chemistry

Dr. rer. nat (Professor)

About

127
Publications
38,582
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2,106
Citations
Citations since 2016
45 Research Items
1270 Citations
2016201720182019202020212022050100150200
2016201720182019202020212022050100150200
2016201720182019202020212022050100150200
2016201720182019202020212022050100150200
Introduction
B.Sc & M.Sc, Ain Shams Uni, Cairo, Egypt, Dr. rer. nat. Friedrich Schiller Uni Jena. Member of the Eg Standing Sc Com of Prom to Prof. Winner of the Eg State Prize of Encou in Chem, 1984 & TWO times holder of the State Dec of Sc and Arts (1st rate), 85&2014. Winner of Eg State award of Merit in Basic Sc 2013 and ASU in tech 13. Supervised over 100 M.Sc & Ph.D.s. Founder of Photoenergy C, Nanophotochem, Solar and Comp Chem Labs. Awarded DAAD, B C and Belg Sc found scholarships. Invited Lec.
Additional affiliations
September 1966 - present
Ain Shams University
Position
  • Professor (Full)

Publications

Publications (127)
Article
Full-text available
Nanocomposite photocatalysts AgI-TiO 2 and AgO-TiO 2 were successfully synthesized by thermolysis method at 200°C/2 h. The composite photocatalysts were characterized by XRD, TEM and UV-Vis spectroscopy. The Efficiency of AgI-TiO 2 and AgO-TiO 2 photocatalysts in comparison with pure TiO 2 (P25) was tested by the photocatalytic degradation of Remaz...
Preprint
Full-text available
Here, we theoretically modeled the binding interaction of the Sars-CoV2 (Spike protein) utilizing molecular docking with some potential repurposed antiviral medications and two botanical products (Curcumin and Quercetin). Molecular docking between the drugs and the Sars-CoV2 proteins reflecting the pure electrostatic forces and H-bond formation is...
Article
Full-text available
Abstract We have been successfully used a new photoprobe based on Tb(III)(3‐acetyleindole)3 complex (TbAcI) as a novel, sensitive, accurate, and precise sensor for detecting shallow concentration (pico) of epinephrine (EPI) in different serum samples. Here, we report on and discuss the molecular structure of the interacting species using density fu...
Article
A new selective method for the determination of acyclovir in tablets and serum samples was developed. The method depends on the luminescence enhancement of Tb3+ chemo sensor with different concentrations of acyclovir at pH 10. Acyclovir can form a complex with Tb3+ ion of 1:3 molar ratio in DMSO. The luminescence intensity of Tb3+-acyclovir complex...
Article
A New photoprobe based on tris(3-acetylindole) terbium (III) complex (TbAcI) doped in polyethylene glycol (PEG) thin-film was synthesized, and employed as a novel, simple, sensitive, accurate, and precise method for the determination of Epinephrine (EPI) in different serum samples. The results obtained from the Stern-Volmer bimolecular quenching an...
Article
In a search for drugs of the potential impact on SARS-CoV and SARS-CoV-2, we have chosen different forms of metal-based food supplements to investigate. We computed their binding to specific peptide sequences of the spike virus S-protein: angiotensin-converting enzyme 2 (ACE2) interface-drug binding adduct. Manual docking was applied. The chosen mo...
Preprint
Full-text available
Coronavirus disease (COVID-19) remains a global pandemic with little treatment options. Nature has provided a plethora of compounds that may offer potential protection and/or treatment choices. Earlier studies have shown a pivotal role of angiotensin converting enzyme 2 (ACE2) in the pathogenesis of COVID-19. In this context, seven natural compound...
Article
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Sm 3+ ions) were prepared by using a low cost and facile hydrothermal method. Structural, morphological and optical properties of the un-doped and Ln 3+-doped nanocomposites were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) equipped with energy dispersive X-Ray (EDX), transmission electron microscopy (TEM), (SBET) Ba...
Article
Full-text available
Terbium ion-4'carboxybenzo-18crown-6-ether complex (TbCCE) photoprobe is a sensitive and stable luminescent photoprobe used to detect low (9.4 x10-9 mol L−1) concentrations of nalbuphine (NAL) in serum and pharmaceutical formulations. Here we discuss molecular modeling of the interacting species using DFT and TD-DFT. The results reveal strong bindi...
Book
Full-text available
Computational Chemistry, non-mathematical treatment of the benefits of computations to validate, and interpret experimental findings as well as predicting/designing molecules/reactions, etc. Real examples are presented and explained. Input and graphical outputs are given. ORCA 4.2.1. the program package is the main code used. Gaussian 16, as well a...
Article
Full-text available
The biologically active divalent metal complexes [Co(II)(GluArg)(H2O)2] (1) and [Cu(II)(GluArg)] (2) (where Co = cobalt and Cu = copper) of mixed glutamic (Glu) and l‐arginine (Arg) amino acids form a stable 1:1 inclusion complex with β‐cyclodextrin (β‐CD) in water. The preferred orientation of guest molecules into the host is simulated by quantum...
Article
Heavily contaminated industrial wastewater is treated using a homemade compound parabolic reactor utilizing recycled polymeric disposals as TiO2 supports. The recycled polymeric materials include cotton, cotton lycra, polyamide, paper, polyethylene terephthalate, polypropylene, and polyurethane. The loading of TiO2 onto different support materials...
Article
The biologically active divalent metal complexes "[Co(II)(GluArg)(H2O)2] (1) and [Cu(II)(GluArg)] (2)" [Co=cobalt and Cu= copper] of mixed glutamic (Glu) and L-arginine (Arg) amino acids form stable 1:1 inclusion complex with -cyclodextrin (β-CD) in water. The preferred orientation of guest molecules into the host, is simulated by quantum chemical...
Article
Lanthanide (Ln3+) doped TiO2 supported on Graphene oxide (GO) (Ln3+ =Eu3+ and Sm3+ ions) were prepared via a low cost and facile hydrothermal method. Structural, morphological and optical properties of the un-doped and Ln3+-doped nanocomposites were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) equipped with energy di...
Article
Experimentally reported photophysics of 7-mercapto-4-methyl coumarin compounds in methanol (thiol (C-SH) and thione (C=S)) disclose that these materials are weak or non-fluorescent. When the thiol is methylated, the C-S(CH3) material shows strong fluorescence. This work focuses on applying two computational strategies based on DFT and its time-depe...
Article
Full-text available
Divalent transition metal complexes [MGlu-Arg (H 2 O)]H 2 O and [MGlu-Arg (H 2 O)]H 2 O, where M � Co, Ni, Cu, and Zn, Glu � glutamic acid, and Arg � L-arginine, are prepared and characterized using different techniques. DFT and TD-DFT modelling validated and interpreted some experimental results. Weight loss technique reveals efficient corrosion i...
Article
Full-text available
T HE EFFICIENCY of excited-state interaction between Tb 3+ and the 4'carboxybenzo-18crown-6-ether (CCE) has been studied in different solvents and pH. The high luminescence intensity of Tb-complex in DMF at 545 nm was obtained. The photo physical properties of the green emissive Tb 3+ complex have been elucidated. The Tb-CCE was used as photo probe...
Article
Full-text available
As a part of our interest in the excited-state dynamics of flexible materials, we have undertaken a theoretical investigation to the photo-induced reactions of 2-[4-(dimethylamino)benzylidene]malononitrile (BMN) by a combination of the density functional theory, its extended time-dependent (TD-DFT) single reference, and ab initio molecular dynamic...
Article
Full-text available
Trazodone was labeled with 99mTc by indirect method. More than 97% radiochemical yield was reached under the following optimized conditions: 100 µg of Trazodone, pH 7, 10 mg of glucoheptonate, 35 µg of stannous chloride, 185 MBq of 99mTc eluate, 20 min, room temperature. The in vitro stability and also the retention of the complex in the brain tiss...
Article
Full-text available
This paper addresses modelling the nature of interactions between β-CD and some coumarins including recently reported novel sulphur analogues to form inclusion complexes of appealing medicinal, photochemical and photophysical properties. The binding energy and the total stabilization energy (EONIOM) are used to confirm the most favorable inclusion...
Article
Full-text available
A series of novel pyrimidine ( 2, 3 ), pyrazole ( 4, 5 ), and pyridine ( 6 ) derivatives were synthesized using a chalcone-bearing thiophene nucleus ( 1 ). The target compounds were synthesized by reaction of compound ( 1 ) with urea, thiourea, malononitrile, hydrazine hydrate, and 2,4-dinitrophenyl hydrazine, respectively. Molecular electronic str...
Article
Full-text available
In this study, we used an environmentally friendly chemistry to synthesize nanoparticles (Ag-NPs) embedded biological marine extracts (BME) from four species of marine algae. Twelve extracts from four species of seaweeds (U. fasciata , Grateloupia sp., P. capillacea and C. mediterranea) were used for synthesis AgNPs/BME, antibacterial properties we...
Chapter
Full-text available
In the last decades, the optical biosensors have great attention, especially, when the biosensor is inserted into a good host such as tetraethoxyorthosilicate (TEOS) polymer and molecular imprinted polymer with no interference. This method gives a transparent nano-optical biosensor with new optical properties to increase the impact of the proposed...
Article
A method for preparing 99mTc-Dacarbazine, a potential cancer diagnostic agent, was developed. The method is based on direct labeling of Dacarbazine with 99mTc in the presence of stannous chloride as reducing agent. The reaction conditions were optimized to obtain the radiochemical yield of 99mTc-Dacarbazine higher than 90%. The biodistribution of 9...
Article
A number of novel lanthanide (Gd3+, Sm3+, and Tb3+) complexes of the 1’,3’-dihydro-8-methoxy-1’,3’,3’- trimethyl-6-nitrospiro[2H-1-benzopyran-2,2’-(2H)-indole] (spiropyran; SP), a widely studied molecular photoswitch, were investigated. Comparative spectroscopic (absorption and fluorescence) and kinetic investigations of the stimulated photochromic...
Article
A number of novel lanthanide (= Sm3+, Tb3+ and Gd3+) complexes of the 1',3'-Dihydro-8-methoxy-1',3',3'-trimethyl-6-nitospiro[2H-1-benzopyran-2,2'-(2H)-indole] (SP) - a widely studied molecular photoswitch- has been investigated. Comparative spectroscopic (absorption and fluorescence) and kinetics investigations of the stimulated photochromic and so...
Article
Full-text available
The behavior of reverse osmosis membranes against salts separation from salty water during desalination process depends mainly on ionic size, diffusivity and feed concentration of the solute. Here we studied the mechanism of different solutes transport through a commercial BW-TFC membrane using NaCl, CaCl 2 , Na 2 SO 4 , and MgSO 4 as feed solution...
Article
Full-text available
This paper reports on the synthesis of new thiazole derivatives that could be profitably exploited in medical treatment of tumors. Molecular electronic structures have been modeled within density function theory (DFT) framework. Reactivity indices obtained from the frontier orbital energies as well as electrostatic potential energy maps are discuss...
Article
Full-text available
Qualitative and quantitative water scarcity represents a problem for sustainable development in the developed countries, especially in the semi-arid and arid zones. Sidi Barrani locality that lies on the NorthWestern Coast of Egypt was chosen as an example of an arid area that suffers from the water shortage and high salinity of groundwater. It lie...
Article
In this work, we demonstrate the use of annealed sol-gel derived ZnO nanoparticles acting as electron transport layer (ETL) in inverted bulk heterojunction (BHJ) polymer solar cells (PSCs). We have examined the photovoltaic performance of devices based on poly(2-methoxy-5-(2-ethylhexyloxy)-p-phenylenevinylene) (MEH-PPV):(6,6)-phenyl-C61-butyric aci...
Article
Computations within Density Functional Theory (DFT) and its Time-Dependent (TD) extension at the B3LYP/6-31G(d) level are performed for both S0 and S1 states to obtain the optimum molecular geometry of the keto-enol photochromic material of the title molecule and to explain the photo-induced ESIPT to generate the corresponding enol tautomer. The ch...
Article
Molecular Modeling Studies of Some Uracil and New Deoxyuridine Derivatives Yousra Abdel-Mottaleb1 and M. S. A. Abdel-Mottaleb2 1Department of Pharmacology, Toxicology and Biochemistry, Faculty of Pharmacy, Future University in Egypt, 90th Street, New Cairo, Egypt 2Computational Chemistry Unit, Department of Chemistry, Faculty of Science, Ain Shams...
Article
Pure lanthanum titanate doped with europium metal ions (La2Ti2O7:Eu3+) and dispersed in silica matrix phosphor powder was prepared by sol–gel process followed by thermal treatment. The prepared nanophosphors were characterized by powder X-ray Diffraction (XRD), Fourier Transform Infrared (FT-IR), Transmission Electron Microscope (TEM), Energy Dispe...
Article
A new approach for modification of polyamid thin film composite membrane PA(TFC) using synthesized ZnO nanoparticles (ZnO NPs) was shown to enhance the membrane performances for reverse osmosis water desalination. First, active layer of synthesis PA(TFC) membrane was activated with an aqueous solution of free radical graft polymerization of hydroph...
Article
Full-text available
The Sharm El-Sheikh area is one of the most attractive touristic resorts in Egypt and in the world in general. The Sharm El-Shiekh area is located at the arid region of the South Sinai Peninsula, Egypt. Water desalination is considered the main freshwater supply for hotels and resorts. Scarcity of rainfall during the last decades, high pumping rate...
Article
This paper focuses on computations technique within the framework of the TD-DFT theory for studying the relationship between structure-properties of reversible conversion of photochromicmaterials. Specifically,we report on 1󸀠,3󸀠-dihydro-8-methoxy-1󸀠,3󸀠,3󸀠- trimethyl-6-nitrospiro[2H-1-benzopyran-2,2󸀠-(2H)-indole] (SP) and its isomers. TD-DFT calcula...
Article
Full-text available
TiO 2 immobilized on polyethylene (PET) nonwoven sheet was used in the solar photocatalytic degradation of methylene blue (MB). TiO 2 Evonik Aeroxide P25 was used in this study. The amount of loaded TiO 2 on PET was approximately 24%. Immobilization of TiO 2 on PET was conducted by dip coating process followed by exposing to mild heat and pressure....
Article
Full-text available
This paper describes experimentally verifiable computational chemistry results of the environmentally benign caffeic acid (CA) antioxidant. Computations at density functional level (DFT) and its time dependent (TD) extension are carried out to explain results obtained experimentally in our laboratories. Emphases are on acidity constants, photodegra...
Article
Full-text available
This paper focuses on computations technique within the framework of the TD-DFT theory for studying the relationship between structure-properties of reversible conversion of photochromic materials. Specifically, we report on 1′,3′-dihydro-8-methoxy-1′,3′,3′-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2′-(2H)-indole] (SP) and its isomers. TD-DFT calcul...
Article
Full-text available
Molecular modeling results reported in this paper are crucial in highlighting the quantitative relationship between the optimized structure and computed molecular properties related to four newly synthesized uracil derivatives with promising biological potential as anticancer bioactive agents. Moreover, 5-fluorouracil (5-FU) and its tautomers and t...
Article
Lanthanide doped inorganic nano-phosphor embedded into silica matrix have shown great potential in novel chemical and biological sensor development due to their pure, intense and stable photoluminescence (PL) properties. However, their potential applications in forensic science, especially in latent fingerprint detection in particular, were still u...
Article
The electrochemical anodization of a single crystalline silicon in hydrofluoric acid-based solution leads to the formation of porous silicon (PSi) with tunable pore sizes and morphology for a wide range of technological applications. By infiltrating the as-anodized PSi layer with a conducting polymer, new functionalities can be achieved. Herein, we...
Article
Full-text available
Laboratory experiments were performed to study nitrogen and phosphorus uptake by the green microalga Scenedesmus quadricauda. The treatment process was studied using different forms of microalga i.e. free, immobilized and co-immobilized microalga in sodium alginate beads. The study revealed that the maximum removal percentage of 1 mg/l ammonia and...
Chapter
Optical sensors have garnered great attention in the last decades, especially when the sensor is doped in a good host, such as tetraethyl orthosilicate (TEOS) polymer, molecular imprinted polymer or polymethylmethacrylate (PMMA), with no interference. It gives a transparent nanooptical sensor with a wide linear range and very low detection limit. I...
Chapter
The optical sensors have great attention in the last decades, especially, when the sensor doped in a good host with no interference likes, tetraethoxyorthosilicate (TEOS) polymer, molecular imprinted polymer or polymethylmethacrylate (PMMA). It gives a transparent nano optical sensor with a wide linear range and very low detection limit. In this ch...
Article
Nanocrystalline N-TiO2 and N,F-TiO2 were prepared by sol-gel method as photocatalysts of more sensitivity in the visible region. The prepared photocatalysts were characterized by X-ray diffraction (XRD), high resolution transmission electron microscopy (HR-TEM), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS), Brunaue...
Article
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We owe special thanks to all authors who contribute their interesting work to this timely issue. We hope that the readers enjoy this special issue.
Article
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Monometallic Fe, Co, and Ni/MgO catalysts with 50 wt.% metal loadings were prepared and examined for natural gas decomposition to nanocarbonaceous materials, particularly multiwalled carbon nanotubes (MWCNTs) and co-valuable hydrogen. The catalytic testing was carried out in a fixed-bed horizontal reactor at 700°C under atmospheric pressure. The fr...
Article
Full-text available
Europium (III) with different concentrations (0.2, 0.4 and 0.8 %)-TiO2 doped silica composite systems were sensitized by sol-gel method. Different spectroscopic and microscopic tools characterized the composites. The Europium ion incorporated into the liquid silica-titania solution acts as red light emission center in the luminescent materials. Thi...
Article
Full-text available
We report on the design and structure principles of 5,5′-6,6′-tetrachloro-1,1′-dioctyl-3,3′-bis-(3-carboxypropyl)-benzimidacarbocyanine (Dye 1). Such metal-free amphiphilic cyanine dyes have many applications in dye-sensitized solar cells. AFM surface topographic investigation of amphiphilic molecules of Dye 1 adsorbed on TiO2 anode reveals the abi...
Article
Full-text available
Mn ²⁺ , Co ²⁺ , or Ni ²⁺ monodoped CdS (or ZnS) and Mn ²⁺ -Co ²⁺ -Ni ²⁺ tridoped CdS (or ZnS) have been successfully synthesized by novel one-step thermolysis method using thiourea as a sulphur source. The synthesized nanomaterials were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), and scanning electron microscop...
Article
Full-text available
Mesoporous nanotitania photocatalysts were prepared by sol-gel method in acidic or basic media. Three types of surfactants, namely, cetyltrimethylammonium bromide, sodium dodecylbenzenesulfonate, and nonylphenol ethoxylate, were used as templating agents. The effects of surfactant type and pH on the morphology, particle size, surface area, pore-siz...
Article
Full-text available
A novel, simple, sensitive and precise spectrofluorimetric method was developed for measuring the activity of the -amylase enzyme in human saliva. The remarkable quenching of the luminescence intensity at 634 nm of nano CdS doped in sol-gel matrix by various concentrations of the maltose (produced from the reaction of the enzyme with the starch su...