منصة إيفاد العلمية

الدكتورة رسل يحيى جاسم العبادة

إرسال رسالة

التخصص: كيمياء لاعضوية

الجامعة: جامعة المثنى

النقاط:

معامل الإنتاج البحثي

الخبرات العلمية

باحثة في علم النانوتكنولوجي تتمتع بخبرة مثبتة في تحليل التركيب الجزيئي وخصائص المركبات الكيميائية . سجل أكاديمي متميز؛ حاصلة على منحة دراس�

الأبحاث المنشورة

Effect of hydroxy groups on structural, electronic, and biological properties of methyl carbazate containing hydroxy benzaldehyde-based imines. A combined experimental and theoretical investigation

المجلة: Journal of Molecular Structure

سنة النشر: 2024

تاريخ النشر: 2024-09-05

Abstract Interactions present in differently substituted hydroxy based imine derivatives were characterised and identified by the utilisation of spectroscopic techniques in conjunction with X-ray crystallography and theoretical computations. All the target compounds ‘a-c’ crystallises in monoclinic crystal system with P21/c and C2/c space groups. CH…Pi and Pi…Pi interaction are the characteristic interactions present in the target compounds ‘a-c’ The most significant contributions to the crystal packing were found using Hirshfeld surface analysis, and potential contact points were identified. H…H, O…H and C…H contacts and π stacking interactions are the dominant contacts observed in all the crystals these results showed that hydrogen bonding and hydrophobic interactions were significantly present. Furthermore, investigations related to calculations of the molecular electrostatic potential and frontier molecular orbital (highest occupied–lowest unoccupied) were carried out for the optimised structure. The HOMO-LUMO energy gap made it possible to determine the molecule's chemical hardness, chemical inertness, electronegativity, and electrophilicity index, which showed its possible kinetic stability and reactivity. The target compounds' predicted activity spectra (PASS) showed that these compounds exhibit significant Testosterone 17beta-dehydrogenase (NADP+) inhibition activity, with Pa 7.18–7.95. Finally, Testosterone 17beta-dehydrogenase (NADP+) (PDB-ID 3KLP) was used to conduct molecular docking investigations of compounds ‘a-c’. Due to their tiny size and lack of rigidity, which enable them to bind well at any position, a and b exhibit higher binding free energies of -7.08 and -7.00 kcal/mol and inhibition constants of 0.1 and 1.2 µM than compound c. © 2024 Elsevier B.V.

Structure directing interactions in the crystals of o-hydroxyaryl/naphthyl derived aldimines: X-ray structure, Hirshfeld surface analysis, DFT and Molecular docking studies

المجلة: Journal of Molecular Structure

سنة النشر: 2024

تاريخ النشر: 2024-08-05

Abstract We have synthesized and thoroughly analyzed many intermolecular interactions present in (E)-1-(((3-nitrophenyl)amino)methylene)naphthalen-2(1H)-one (a), (E)-5-(diethylamino)-2-(((3-nitrophenyl)imino)methyl)phenol(b) and (E)-2-(((3-nitrophenyl)imino)methyl)phenol (c). Compounds a (keto-amine tautomeric form) and b, which have one molecule in the asymmetric unit, crystallize in the monoclinic crystal system with space groups P21/n and C2/c, respectively. Compound C, on the other hand, crystallizes in an orthorhombic crystal structure with the space group Pca21. The structural analysis showed that the construction of ring motifs to stabilize the crystal packing involves several interactions, including pi stacking interactions, N[sbnd]H…O, and C[sbnd]H…O interactions. Hirshfeld surface analysis has been used to examine their solid-state structures, including the evaluation of several energy frameworks. The results show that hydrogen bonds play a major role in the formation of the molecular sheets, and that electrostatic energy contribution dominates stability. Using fingerprint plots, it was possible to examine the variations and commonalities in the target compounds' relative contributions from noncovalent interactions. In addition, B3LYP hybrid functional with 6- 311 G (d, p) level basis set was used in the density functional theory computations to optimize the structural coordinates. Through the examination of the molecular electrostatic potential surface, the chemically active areas of the target imine molecules were located. Additionally, using the internal ribosome entry site of the Hepatitis C virus ED42 (PDB-ID 3T4B), molecular docking of the title compounds was performed based on PASS analysis and literature findings. © 2024 Elsevier B.V.

Intermolecular interactions in 4-bromoaryl derived aldimines: X-ray structure, Hirshfeld surface analysis, DFT and molecular docking studies

المجلة: Journal of Molecular Structure

سنة النشر: 2024

تاريخ النشر: 2024-07-15

Abstract A convenient and facile synthesis of (E)-N-(4-bromophenyl)-1-phenylmethanimine (b), (E)-N-(4-bromophenyl)-1-(2,4-dinitrophenyl) methanimine (c) and (E)-4-(((4-bromophenyl)imino) methyl)-2-methoxyphenol (d) was accomplished by refluxing 4-bromo aniline(a) with an appropriate aldehyde in solvent methanol. X-ray crystallography, theoretical computations, and spectroscopic techniques were utilized to describe and detect interactions between and among various groups of synthesized imines (b-d). Compound b-d crystallize in monoclinic crystal systems with space groups Pnma, P21, P21/c, and P21/c, respectively, whereas compound a crystallize in orthorhombic crystal systems. To identify the intermolecular interactions, Hirshfeld surface analysis was also used, emphasizing the importance of hydrogen bonding, van der Waals forces, and the impact of substituents. Hirshfeld surface fingerprint plots were used to study crystal packing motifs. Energy frameworks examined the electrostatic energy input that stabilizes solid state structures. Additionally, studies pertaining to the optimization of the structure, frontier molecular orbital (highest occupied–lowest unoccupied) and molecular electrostatic potential calculations were conducted. Lastly, using the membrane protein of the naturally occurring fungus Candida albicans SC5314, molecular docking investigations of compounds a–d were conducted (PDB-ID 7RJE) © 2024 Elsevier B.V.

Diameter-Controlled Growth of Sb2Te3 Nanowires with Au Catalyst by the Vapor–Liquid–Solid Mechanism

المجلة: Journal of Surface Investigation

سنة النشر: 2024

تاريخ النشر: 2024-06-15

Abstract This paper presents the results of growing chalcogenide nanowires of Sb2Te3 with a phase transition and a controlled diameter on Si substrates by the chemical vapor deposition method using an Au catalyst. In addition to the size of the Au catalyst, the amount of the initial Sb2Te3 powder is also used to control the diameter of Sb2Te3 nanowires. The diameter of the Sb2Te3 nanowires clearly increases with both the size of the Au catalyst and the amount of the Sb2Te3 powder. By effectively controlling the size of Au nanoparticles and the amount of the Sb2Te3 powder, the diameter of the Sb2Te3 nanowires can be controlled in a wide range from 145 to 275 nm. The influence of the size of Au nanoparticles and the amount of the Sb2Te3 powder on the diameter of the Sb2Te3 nanowires is revealed in terms of supersaturation, based in detail on the Gibbs–Thomson effect. © Pleiades Publishing, Ltd. 2024.

Efficiency and stability enhancement in FA-based perovskite solar cells using controlled reduction of graphene oxide interlayer – An experimental investigation

المجلة: Synthetic Metals

سنة النشر: 2024

تاريخ النشر: 2024-05-01

Abstract Reduced graphene oxide (rGO) as an interlayer and interface engineer, due to its conductivity and hydrophobicity, can be coated on top of perovskite layers to increase the photovoltaic performance and stability of perovskite solar cells. Herein, we employed reduced graphene oxide as an interlayer. By controlling the reduction level of rGO, its potential for boosting perovskite solar cells' efficiency was further increased. Results showed that increasing the reduction degree of rGO to an optimal level increased its conductivity and hole mobility, which induced charge transfer at perovskite/hole transport layer and increased the open-circuit voltage of solar cells. Our rGO reduction controlling strategy enables FAPbI3-based solar cells to record a PCE of 22.29%. In addition, increasing reduction degree increased hydrophobicity behavior of rGO. It increased perovskite solar cell resistance against humidity and heating degradation. The developed method in current study can push up perovskite solar cells to industrialization. © 2024 Elsevier B.V.

A new approach to the synthesis of CuMoO4 nanoparticles with mechanistic insight into the sunlight-assisted degradation of textile pollutants and antibacterial activity evaluation

المجلة: Journal of Alloys and Compounds

سنة النشر: 2024

تاريخ النشر: 2024-03-15

Abstract CuMoO4 nanoparticles (NPs) were synthesized by a thermal decomposition followed by a precipitation method. Analytical techniques such as FE-SEM, EDS, HR-TEM, XRD, FTIR, UV–visible, PL, and XPS were used to characterize the structural, optical, and photocatalytic properties of CuMoO4. As per XRD analysis, the structure of CuMoO4 NPs with different Cu concentrations was consistent, however, their crystallinities were changed. The band gap of CuMoO4 with various concentrations of Cu (0.1, 0.2, and 0.3 M) was estimated to be 1.97 eV, 1.86 eV, and 1.44 eV, respectively. The electrical conductivity of 0.3 M CuMoO4 NPs was greater than other synthesized nanocomposites. Methylene Blue (MB) mineralization in an aqueous medium after 180 min of exposure to sunlight was investigated to study the photocatalytic activities of all CuMoO4 composites. As per the PL study, the 0.3 M CuMoO4 NPs exhibited better photocatalytic efficiency due to their low electron-hole recombination rate. Experimental parameters like the MB concentration, catalyst dosage, and the solution pH were evaluated to optimize the experimental conditions. The in-situ capture analysis proposed a plausible mechanism for the photocatalytic degradation of MB. The two main active species identified for MB degradation were superoxide radical anions and hydroxyl radicals. The repeated photocatalytic MB degradation verified the high level of reusability of 0.3 M CuMoO4. The well-diffusion technique was utilized to examine the antibacterial activity of 0.3 M CuMoO4 NPs against gram-positive (Salmonella typhi) and gram-negative (Streptococcus mutans) bacterial strains. The optimized CuMoO4 showed excellent promise for application in the field of photocatalysis, electrocatalytic and antibacterial activity. © 2024 Elsevier B.V.

Synthesis, structural characterizations, and photocatalytic application of silver-doped indium oxide ceramic nanoparticles

المجلة: Ceramics International

سنة النشر: 2024

تاريخ النشر: 2024-02-01

Abstract This work presents a cost-effective methodology for simplifying the preparation of doped ceramic materials at the nanoscale. Pristine indium oxide (IO) and Ag-doped indium oxide (IAO) have been synthesized using a sophisticated wet-chemical method with adjusted physical conditions, surfactant addition rate, and annealing temperature to tailor the desired structural characteristics. The effect of silver doping on the indium oxide ceramic's electronic, optical, electrical, physical, and structural features has been studied using XRD, FTIR, photoluminescence (PL), UV/Vis, I–V SEM, and EDX techniques. The noble metal doping decreased the band gap, slowed the e−/h+ recombination probability, induced structural defects, and tuned the surface-to-volume ratio; all these features made the doped catalyst a more promising candidate for photocatalytic application than the undoped counterpart. According to the pseudo-first-order kinetic model, the IAO photocatalyst demonstrated a reaction rate of 0.20 min−1, resulting in the efficient elimination of 87.2 % of the crystal violet (CV) dye. The indium oxide doped with noble metal exhibited a remarkable retention rate of 96.5 % in cyclic activity after undergoing four reusability tests. The scavenging tests have shown that the hydroxyl free radical is the predominant species involved in the process of dye degradation. The physical and application investigations have shown that our recently produced nanostructured material, doped with noble metals and indium oxide, has promise as a viable material for effective light absorption and quick elimination of azo dyes. © 2023 Elsevier Ltd and Techna Group S.r.l.

Can the BeP2 monolayers be used as anode materials in Ca-ion batteries? justification by DFT study

المجلة: Inorganic Chemistry Communications

سنة النشر: 2024

تاريخ النشر: 2024-01-01

Abstract One of the efficient methods for boosting the energy density of modern metal-ion batteries is finding electrode materials with high performance. Before and following the adhesion of metal ions, a BeP2 monolayer (BeP2ML) has intrinsic metallicity and high conductance. The first-principles DFT computations demonstrate that BeP2ML is one of the encouraging electrode materials for Ca-ion batteries (CIBs). Furthermore, the theoretical capacity of a fully Ca phase Ca2BeP2 for BeP2ML was high (629 mA h g−1) having an additional calcium ion layer, which outperformed other two-dimensional ones reported in the literature. Additionally, after the full adhesion of metal ions, BeP2ML exhibited a surprisingly low open circuit voltage and diffusion barrier (0.24 V). The present piece of research can provide insights into exploring new BeP2ML-type electrode materials for CIBs. © 2023 Elsevier B.V.

Synthesis of visible-light-responsive lanthanum-doped copper ferrite/graphitic carbon nitride composites for the photocatalytic degradation of toxic organic pollutants

المجلة: Diamond and Related Materials

سنة النشر: 2024

تاريخ النشر: 2024-01-01

Abstract The aquatic ecosystems have been at high risk of destruction for the last many years due to the production and disposal of organic dyes from various textile and paint industries. A serious attention is required to cope with this environmental contamination by the removal of these dyes. An extremely effective and highly adaptive photocatalyst, La-CuFe2O4/g-C3N4 (LCFO/CN), was prepared by hydrothermal technique. The synthesized catalysts were carefully analyzed using a variety of characterization techniques in order to investigate the interaction among their catalytic activity and material characteristics. The Rhodamine B (RhB) dye was used to investigate the photodegradation efficiency of the LCFO/CN photocatalyst. An excellent photodegradation of 97.35 % was observed by the LCFO/CN-2 heterojunction photocatalyst compared to pure CFO (62.73 %), LCFO (67.13 %), and LCFO/CN-1 (83.14 %), respectively, under constant reaction conditions ([catalyst] = 0.4 g/L, [RhB] = 30 mg/L, pH = 6.0, T = 25 ± 1 °C). This enhancement of photodegradation of the RhB dye by the LCFO/CN-2 photocatalyst was due to an enhancement in surface area, an increase in active sites, and a reduction in bandgap energy. The effect of different factors was also determined by varying the reaction conditions. The generation of reactive oxygen species was accomplished through trapping agents and electron paramagnetic resonance analysis. The photostability and reusability of the photocatalyst LCFO/CN-2 nanocomposite were evaluated by performing five successive experiments under predefined reaction conditions. Ultimately, this work will provide an economically feasible and environment-friendly photocatalyst for the effective degradation of RhB dye in water bodies. © 2023 Elsevier B.V.

Assessment of Nurses’ Knowledge Concerning Gestational Hypertension at Maternity and Pediatric Teaching Hospital in Al-Samawa City

المجلة: Bahrain Medical Bulletin

سنة النشر: 2023

تاريخ النشر: 2023-12-01

Abstract Background: The most frequent pregnancy complication, the most frequent cause of maternal death, and a factor in newborn morbidity and mortality is pregnancy-induced hypertension (PIH). Objectives: To assess Nurses’ Knowledge of Concerning Gestational Hypertension at Maternity and Pediatric Teaching Hospital in Al-Samawa City. Methodology: A descriptive study about the nurses’ knowledge about of concerning gestational hypertension. A purposive sampling (non-probability) consists of (100) nurses. Pilot research was carried out to assess the questionnaire's reliability, a questionnaire which is consisted of 20 questions, at Maternity and Pediatric Hospital in Al-Samawa City. This study started from 1 January 2023 to 10 June 2023. The study was carried out during the morning shift at the Maternity and Pediatric Hospital in Al-Samawa City, and self-report – structured questionnaire with nurse were performed in the wards (both public and private wards), includes emergency room, wards medical and preoperative room, (purposive and non-probability sample) were according to the study's findings, nurses’ knowledge of concerning gestational hypertension. Results: The findings indicate that this table indicates most age of the sample (80%) were 31-39 years old, the table also show that the majority of the study subjects (56%) are female where more than half of them was Single (56%). Most study sample graduated from college nursing about (52%), and the total years of services (50%) were (11-20). The result of assessment of nurse knowledge regarding concerning gestational hypertension was good level. Conclusions: The study concluded that the knowledge of a good level of nurses about gestational hypertension is good in Al-Hussein Teaching Hospital. Recommendations: standardized procedures for the management of pregnancy-induced hypertension and nursing care. A guidebook offering the essential details regarding PIH. © 2023, Bahrain Medical Bulletin. All rights reserved.

Investigation of effective parameters in the production of alumina gel through the sol-gel method

المجلة: Case Studies in Chemical and Environmental Engineering

سنة النشر: 2023

تاريخ النشر: 2023-12-01

Abstract Sol-gel chemistry is currently applied as one of the most widely used methods for synthesis of nanoparticles. In this method hydrolysis and poly-condensation reactions occur when the gel precursors are mixed with water and catalyst. The further condensation of sol particles into a three-dimensional network produces a gel. There are several parameters that effect on gelation time such as the molar ratio of alkoxide to water, the rate of hydrolysis, the type and amount of catalyst used, initial concentration of precursors and the temperature of hydrolysis and drying. Encapsulated solvent can be removed from a gel by either evaporative drying or supercritical drying. Where the resulting solids are known as a xerogel and an aerogel, respectively. During the drying process due to the surface tension of the liquid, a capillary pressure gradient is built in the pore walls, which is able to collapse most part of the pore volume. The volume shrinkage may be prevented by supercritical drying. The strength, thermal stability, pore structure and morphology of aerogels are keys to success for wider applications such as catalyst supports, thermal and acoustic insulators and adsorbents. Among catalyst support materials, alumina became popular recently due to its highly thermal and chemical stability and higher porosity. In the present study, synthesis of alumina gel as a support for nano-catalysts through hydrolysis of aluminum tri-sec-butoxide (ASB) in ethanol was investigated. The gel synthesis was carried out at 32 and 60 °C with different concentrations of water and precursor and different types and amounts of acid as catalyst. Rate of gel formation, efficiency of hydrolysis and polymerization and amount of gel production were measured and discussed. Results showed that acid addition around 0.2 ml and water to ASB malar ratio of 2 at 60 °C maximized the amount of gel produced and minimized the gelation time. Then, the alumina gel that synthesized at optimum conditions was dried by two different methods, at atmospheric pressure and temperature and at supercritical conditions of carbon dioxide and the results of Scanning Electron Microscopy were compared. © 2023 The Authors

Complexation of some d-metals with N-benzyl-N-nitrosohydroxylamine derivatives. Crystal and molecular structure of diaquabis[N-benzyl-N-nitrosohydroxylaminato-κ2O,O′]cobaltl(II) and in silico target fishing

المجلة: Inorganic Chemistry Communications

سنة النشر: 2024

تاريخ النشر: 2023-11-01

Abstract N-nitrosohydroxylamine derivatives are dubbed as chelating agents. The complexation of bivalent metals with N-benzyl-N-nitrosohydroxylamine (L1) and N-(2F-benzyl)-N-nitrosohydroxylamine (L2) were studied with DFT B3LYP modeling, electronic spectroscopy, and X-Ray diffraction. The 3d-metal cations showed good affinity to N-nitroso-N-hydroxylamine derivatives and formed complex compounds with high degree of covalence. Their absorption bands shifted towards the spectra of neutral forms of the non-coordinated ligands. The value of the shift increased in a series of Mn2+ < Co2+ < Ni2+ < Cu2+ > Zn2+ > Cd2+. The determined formation constants of the complexes lied in the range of 9.86 – 11.58. The crystal structure of Co(L1)2(H2O)2 showed that the organic species act as bidental chelating ligands occupying cis-positions in the coordination sphere of Co(II) cation. In the lattice, the molecules of the compound formed parallel layers which arranged in columns stabilized using a set of intermolecular hydrogen bonds. These ligands obeyed Lipinski's and Veber's rules of drug discovery pipeline. Besides, L1 and L2 also had half-life values of 0.7and 0.4 h, oral bioavailability score of 0.55, and positive blood–brain barrier permeability indicating their potential as therapeutic lead-like compounds. Further, potential targets were screened out computationally. L1 predominantly interacted with family A of G-protein coupled receptors and enzymes while L2 also interacted with protease and nuclear receptors in addition to the targets of its parent molecule, L1. Essentially, glutaminyl-tRNA synthetase and lumazine synthase were suggested as top-scored targets. In sum up, these ligands may be antimicrobial lead-like molecules suitable to be submitted to the in vitro validation. © 2023 Elsevier B.V.

A green synthetic method for cobalt(II,III) oxide nanoparticles with high surface activity

المجلة: Tonkie Khimicheskie Tekhnologii

سنة النشر: 2023

تاريخ النشر: 2023-11-01

Abstract Objectives. To develop a new green method for the synthesis of nanosized materials of cobalt(II,III) oxide, with improved surface activity, using environmentally friendly precursors and solvents. Methods. A green method was proposed, in order to isolate Co3O4 nanoparticles with high surface activity. Instead of the usual organic solvents, three different natural sugars, including glycogen, sucrose, and glucose were used for the first time as templates. Water as a green solvent was used in all the steps. The polymorphic composition of the synthesized samples was determined by means of X-ray phase analysis. The morphology of the obtained crystallites was studied from micrographs of the oxide phases. Image Pro Plus 6 software was used to measure the size of nanoparticles. The surface activity of the isolated samples was studied using the Brunauer–Emmett–Teller method and the Langmuir method. The Barret–Joyner–Halenda method was used to determine the diameter, volume, and distribution of pores. Results. The crystallite sizes of the samples are 23 nm, 36 nm, and 30 nm for glucose, glycogen, and sucrose templates, respectively. Adsorption–desorption isotherms for samples obtained from complexes of glucose and sucrose correspond to type IV, indicating a strong interaction between the adsorbent and the adsorbed sample. The isotherm for the sample isolated from the complex with glycogen is of a different type and most likely indicates that this sample is almost completely mesoporous. The pore radii are found in the interval 1.2–1.6 nm. Conclusions. A new green method for the synthesis of nanosized particles of Co(II,III) oxide using natural saccharides and deionized water was developed. The composition, morphology, structure, and surface activity of the samples obtained were studied. It was shown that due to the polymeric structure of their metal complexes and the ability to bind active carbon on the surface of nanoparticles, natural saccharides can be used as matrices in the synthesis of nanosized metal oxides with high surface activity. © Ya. Absalan, R. Alabada, M.R. Razavi, M.Gholizadeh, O.V. Avramenko, I.N. Bychkova, O.V. Kovalchukova, 2023.

Wet-chemical synthesis of sponge-like porous Zn-doped copper oxide ceramic as an efficient solar-light triggered photocatalyst for multiple applications

المجلة: Tenside, Surfactants, Detergents

سنة النشر: 2023

تاريخ النشر: 2023-07-22

Abstract This work presents a simple co-precipitation method for making Zn-doped copper oxide (C1-x(Zn) x O) that is nanostructured, porous, active in visible light, and highly conductive. The combined impacts of doping, structural modifications, and nanoscaled synthesis contribute to the development of a novel catalyst that has inherent characteristics. Physicochemical studies confirm the coexistence of all desired features in the C1-x(Zn) x O photocatalyst. The formed photocatalyst's dye-destroying and antimicrobial properties were carefully examined and compared to those of pristine copper oxide (PCO) that had not been doped. When tested against Escherichia coli (a "negative strain") and Staphylococcus aureus (a "positive strain"), the antimicrobial properties of the C1-x(Zn) x O photocatalyst were better than those of PCO and on par with those of commercially available drugs. Also, C1-x(Zn) x O photocatalyst gets rid of reactive orange 4 (RO-4) dye more effectively and faster (0.023 » min-1) than PCO photocatalyst (0.11 » min-1) by using simple sorption and photocatalytic annihilation. The C1-x(Zn) x O photocatalyst eliminated 90.25 » % of RO-4 dye under visible light irradiation. Under identical circumstances, the PCO photocatalyst removed 65.12 » % of the RO-4 dye. The boosted bactericidal and photocatalytic activity of the C1-x(Zn) x O photocatalyst may be attributed to its larger surface area (56.5 » m2 » g-1), good electrical conductivity (2.33 × 10-3 » S » m-1), low bandgap (1.98 » eV), and doping-induced structural defects. The developed features increase the light-capturing sites on the catalyst surface, improve the charge transport kinetics, enable the catalysts to harvest visible light, and limit the charge recombination process, allowing our photocatalyst to show exceptional bactericidal and dye annihilation activities. This study opens new avenues for developing metal-substituted metal oxides with porous nanostructures for environmental and ecological protection. © 2023 Walter de Gruyter GmbH, Berlin/Boston 2023.

Unusual Substitution in Hydrazinobenzoic Acid upon Complexation. Crystal and Molecular Structure of Hydrazinobenzoic Acid Hydrochloride

المجلة: Crystallography Reports

سنة النشر: 2021

تاريخ النشر: 2021-05-22

Abstract Abstract: The crystal and molecular structure of 2-hydrazinobenzoic acid was determined. In solution in the presence of copper(II) chloride, 2-hydrazinobenzoic acid is transformed into 2-chlorobenzoic acid (HL1) and is coordinated to copper(II) cations to form the binuclear structure [Cu(H2O)]2(µ-L1)4 with bridging carboxylate groups of the ligand (L1)–. Three complexes of HL1 with Fe(II), Co(II), and Zn(II) were isolated in the crystalline state and studied by spectroscopic methods. It was found that the organic molecules are involved in the complexes in the monodeprotonated chelating form. © 2021, Pleiades Publishing, Inc.

Removing organic harmful compounds from the polluted water by a novel synthesized cobalt(II) and titanium(IV) containing photocatalyst under visible light

المجلة: Environmental Nanotechnology, Monitoring and Management

سنة النشر: 2020

تاريخ النشر: 2020-12-22

Abstract A facile approach for the synthesis of nanoporous cobalt oxide, anatase, rutile, and mix of rutile-anatase phase through thermal decomposition of organometallic complex compounds of phloroglucinol carboxylic acid were used for the first time in order to remove the organic-harmful compounds from water. The complex compounds and nanoparticles were characterized by X-ray diffraction (XRD), UV–vis spectroscopy, FT-IR spectroscopy, elemental analysis (metal, organic atoms), Field-Emission Scanning Electron microscopy (SEM), NMR spectroscopy, quantum chemical modeling, photoluminescence, and thermal analysis techniques. The results illustrated that TiO2 nanoparticles in three different structures/ phases (Anatase, Anatase-Rutile mixture, and Rutile) and nanoporous cobalt oxide were isolated. In order to examine the possibility of modification of the structures based on TiO2, a new method was also applied, including grinding and thermal decomposition of titanium and cobalt complexes in the different ratio (10 %-to-90 %). Titanium and cobalt complexes were mixed, and ground well and then heated to 500 °C for 2 h. Nanoparticles of titanium and cobalt oxides mixtures were studied by SEM, EDX, XRD, and photoluminescence methods. The ability of the obtained product in the environmental field was tested. The results showed it led to the formation of cobalt (II) titanate of perovskite-like structures and Ti80 %Co20 % ratio was the most proper ratio to absorb visible light. Finally, this sample was used as a photocatalyst to degrade bromophenol blue (BPB), as a harmful organic target, under visible light and it could reduce the concentration of BPB to 82 % after 120 min, which showed it to be a powerful photocatalyst to treat water. © 2020 Elsevier B.V.

Complex compounds of transition metals with hydroxyaromatic carboxylic acids as precursors for the synthesis of nanosized metal oxides

المجلة: Russian Chemical Bulletin

سنة النشر: 2020

تاريخ النشر: 2020-05-22

Abstract Eight complex compounds of MnII, FeII, CoII, NiII and CuII with 2,4,6-trihydroxy benzoic acid and 3,4,5-trihydroxybenzoic acid were synthesized in a crystalline form. Nanosized metal oxide particles obtained by thermal decomposition of the complexes were studied by X-ray powder dif raction analysis and electron microscopy. © 2020, Springer Science+Business Media LLC. Author keywords complex compounds; hydroxyaromatic carboxylic acids; nanosized metal oxides; thermal decomposition

An unusual coordination of a 4-azopyrazol-5-one heterocyclic derivative with metals. Synthesis, X-ray studies, spectroscopic characteristics, and theoretical modeling

المجلة: Inorganica Chimica Acta

سنة النشر: 2017

تاريخ النشر: 2017-11-22

Abstract A series of novel transition and rare-earth metal complexes of (Z)-4-((1-(benzo[d]thiazol-2-yl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one (HL) were isolated and identified by FT IR, EPR, 1H NMR, and UV–VIS spectroscopy. The crystallographic data for [Cu2Cl3(L)(H2O)]2·1.5H2O·CH2Cl2 were obtained. The compound exists in the form of a tetranuclear species with two different metal coordination modes. The coordination polyhedra of two cations can be described as somewhat distorted tetragonal pyramids as well as two other Cu atoms of the tetrameric molecule adopt the trigonal bipyramidal coordination. The bridging chloride ligands link differently coordinated metal cations. The quantum chemical calculations indicate the existence of a ferromagnetic exchange interaction in pairs. That is in agreement with the EPR spectrum of the substance. The complex formation constants in water-ethanol solutions were determined. © 2017 Elsevier B.V.

Novel metal complexes of bispyrazole azo dyes for chemical fibers

المجلة: Fibre Chemistry

سنة النشر: 2016

تاريخ النشر: 2016-03-22

Abstract Novel heterocyclic derivatives of 1-aryl(hetaryl)-3-methyl-4-azopyrazolone-5 and its metal complexes were synthesized. Their color properties were evaluated spectrophotometrically. The ability to use the synthesized compounds as dispersed yellow-to-red dyes for polyamide fibers was demonstrated. © 2016 Springer Science+Business Media New York.

Crystal structure of poly[μ2-aqua-aqua(μ2-4-nitro-2,5,6-trioxo-1,2,5,6-tetrahydropyridin-3-olato)-hemi-μ4-oxalato-barium(II)]

المجلة: Acta Crystallographica Section E: Structure Reports Online

سنة النشر: 2015

تاريخ النشر: 2015-05-01

Abstract In the title coordination polymer, [Ba(C5HN2O6)(C2O4)0.5(H2O)2]n, the tenfold coordination of the Ba centre consists of four O atoms from the two 4-nitro-2,5,6-trioxo-1,2,5,6-tetrahydropyridin-3-olate (L) anions, three O atoms of two oxalate anions and three water molecules. The Ba - O bond lengths fall in the range 2.698 (3)-2.978 (3) Å. The L ligand chelates two Ba atoms related by a screw axis, leading to formation of fused five- and six-membered chelate rings. Due to the bridging function of the ligands and water molecules, the complex monomers are connected into polymeric two-dimensional layers parallel to the bc plane. Intermolecular O - H⋯O hydrogen bonds link these layers into a three-dimensional supramolecular framework.

STABILIZATION OF THE CRYSTALLINE PHASE OF WURTZITE IN ARSENIDE NANOWIRES THROUGH ELASTIC STRESS

المجلة: Conference: НАУЧНЫЙ ФОРУМ: ИННОВАЦИОННАЯ НАУКА Сборник статей по материалам LVIII международной научно-практической конференцииAt: Russia/ Moscow

سنة النشر: 2023

تاريخ النشر: 2023-03-24

Arsenides of boron group metals at standard conditions typ- ically have only one stable phase – zinc blende. Despite it GaAs nanowires frequently grow in a metastable crystal phase – wurtzite. In this paper we show that elastic stress could be the factor responsible for nanowire growth in the metastable phase

The dimensional dependence of the thermodynamic angle of growth nanocrystals semiconductors.

المجلة: Conference: Proceedings of the X International Scientific and Practical Conference «Modern methods of applying scientific theories»At: Lisbon, portugal

سنة النشر: 2023

تاريخ النشر: 2023-03-24

The growth of whisker nanocrystals (NWs) of semiconductors is the only example of crystallization, when three phases simultaneously participate in equilibrium in a multicomponent system: solid, liquid, and vapor. The substance of each phase near the closed line of the three-phase contact is under the influence of the substance of the other two phases, and therefore its state differs from the state in the bulk and from the states near the interface between the two phases. The presence of a curved three-phase boundary is the most pronounced feature of NW growth. The effect of the curvature of the surface of NWs and a catalyst drop on the surface energy should manifest itself at their radii on the order of units and tenths of a nanometer, which corresponds to intermolecular distances. At the same time, in the case of linear tension, the effect of the curvature of the three-phase boundary along the droplet wetting perimeter manifests itself at radii of tens of nanometers, which corresponds in order of magnitude to the radius of action of surface forces

ORGANOMETALLIC PRECURSORS FOR NANOSIZED STRUCTURES

المجلة: Amman/AcademicBook Center

سنة النشر: 2024

تاريخ النشر: 2024-01-24

The objective of this book preparation is to acquaint the readers and researchers with the “ORGANOMETALLIC PRECURSORS FOR NANOSIZED STRUCTURES” which is devoted to the analysis of the recent problem of separating nano-dispersed metal oxides and their application in various fields of technology, medicine, ecology and other fields of science. The advantage of using complex compounds of metals with organic ligands as precursors for the synthesis of nanoparticles is discussed. The results obtained directly by the author(S) and the literature data were used.

Evaluation of analgesic activity of Simvastatin in male mice

المجلة: Kufa Journal For Veterinary Medical Sciences

سنة النشر: 2016

تاريخ النشر: 2016-07-24

Mechanistic for relieving pain by using the statin drug as antiinflammatory had been studied, Determination of duration of action of statin also studied. Forty male albino Swiss mice were used in this study were divided randomly into four group (each group 10 mice) G1, G2, G3, G4 giving (0.71 mg/kg diclofenac, 10mg/kg , 20 mg/kg simvastatin, distilled water) respectively by oral gavages. After oral administration the animals placed on hot plate then recording time till mice jumping. The results obtained from the study is determination of the best dose Statin for producing analgesic effect. the results showed that diminution of the noxious stimulus effect increased significantly in different mice with increasing doses of Simvastatin. These statins are found to have analgesic, they have been shown to possess antiinflammatory and immune modulatory effects.