doi:10.21123/bsj.2023.7745

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Publication Date

Tue Jun 20 2023

Journal Name

Baghdad Science Journal

Volume

20

Issue Number

3(Suppl.)

DOI

10.21123/bsj.2023.7745

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Preparation, characterization, antioxidant activity of 1-(2-furoyl) thiourea derivatives and study the molecular docking of them as potent inhibitors of Urease enzyme

2-furoyl chloride

Antioxidant

Molecular docking

Thiourea derivatives

Urease

Oday H. R.

Abdullah Qays

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In this work, we synthesized thirteen compounds of 1-(2-furoyl)thiourea derivatives 1-13 by conversion of 2-furoyl chloride to 2-furoyl isothiocyanate by reacting it with potassium thiocyanate in dry acetone in a quite short reflux time then, in the same pot, different of (primary and secondary amines) were added individually to achieve thiourea derivatives. The products were characterized spectroscopically using (FT-IR, 1H NMR and 13C NMR) techniques. Some of them were evaluated as antioxidant agents using DPPH radical scavenging method, and all were examined theoretically as enzyme inhibitors against Bacillus pasteurii urease (pdb id: 4ubp) and by studying molecular docking using Autodock (4.2.6) software.

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Publication Date

Sat Sep 01 2018

Journal Name

Polyhedron

Novel dichloro (bis {2-[1-(4-methylphenyl)-1H-1, 2, 3-triazol-4-yl-κN3] pyridine-κN}) metal (II) coordination compounds of seven transition metals (Mn, Fe, Co, Ni, Cu, Zn and Cd)

The 1

3-dipolar cycloaddition “click” reaction between an azide and an alkyne to give a 1

2

3-triazole was reported by Huisgen in 1961 [1]. In 2002 the Copper(I)-catalyzed Azide-Alkyne Cycloaddition (CuAAC) to prepare a 1

2

3-triazole was reported [2]

[3]. The existence of relatively basic nitrogen atoms in the 1

2

3-triazole rings

and the possibility of introducing additional donor groups in the substituents (Fig. 1)

made the CuAAC “click” reaction an attractive method to prepare differently substituted 1

2

3-triazoles. These compounds have been used as ligands to coordinate to various metal ions that display a range of applications such as in electrochemical and photochemical studies

in supramolecular chemistry

magnetism

metal-ion sensing and catalysis [4]. The reasons for the success of the “click” reaction

is that it is easy to carry out and is widely applicable. It is not affected by a variety of functional groups

and can be carried out with a variety of Cu(I) catalysts and solvents

including aqueous conditions. The Cu(I) catalysts overcome the high activation energy barrier of the non-catalyzed Huisgen reaction by changing the mechanism of the reaction. A large variety of copper catalysts can be used for the CuAAC reaction

on condition that the maximum concentration of Cu(I) species is generated during the reaction. The pre-catalyst can be a Cu(II) salt (usually CuSO4) together with a reducing agent (often sodium ascorbate) or a Cu(I) compound in the presence of a base or amine ligand and a reducing agent to prevent oxidation to Cu(II). Some strong oxidising cupric salts or complexes such as Cu(OAc)2 also work. The solvent is very flexible from organic to aqueous

with the most commonly used combination water + an alcohol (t-BuOH

MeOH or EtOH). The key role of the solvent or solvent mixture is to solubilize the substrates and Cu(I) catalyst in order to ensure rapid reactions. Such aqueous conditions are very useful for biochemical conjugations

as well as for organic syntheses. We recently reported on the synthesis of a series of differently substituted 1

2

3-triazole chromophores

the substituted 2-(1-phenyl-1H-1

2

3-triazol-4-yl)pyridine ligands [5]

see Fig. 2 middle

with substituents R = H (L1)

CH3 (L2)

OCH3 (L3)

COOH

F

Cl

CN

CF3

O(CH2)3CH3 and N(CH3)2. These versatile ligands were found to coordinate to various first row transition metals

such as manganese

cobalt and nickel [6]. Here we extend the series to include more first row transition metal(II) coordination compounds

iron

copper and zinc

as well as a second row transition metal(II) coordination compound

cadmium

containing the 2-(1-(4-methyl-phenyl)-1H-1

2

3-triazol-1-yl)pyridine chromophore (Fig. 2 right with R = CH3). This series of seven novel coordination compounds is the first series of pyridyl-triazole based transition metal coordination compounds where seven different transition metals are coordinated to the same 1

2

3-triazole chromophore

namely 2-(1-(4-methyl-phenyl)-1H-1

2

3-triazol-1-yl)pyridine.

Kinaan M

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Publication Date

Sat Jan 01 2022

Journal Name

Egyptian Journal Of Chemistry

Structural, Characterization and Biological Activity of New Ligand N-(Pyrimidin-2-Yl Carbamothioyl) Acetamide and Its Complexes With (VO(II), Mn (II), Cu (II), Zn (II), Cd (II) and Hg (II)

pyrimidin-2-amine

acetyl isothiocyanate

complexes

Antimicrobial activity.

Basima M sarhan

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New ligand of N-(pyrimidin-2-yl carbamothioyl)acetamide was synthesized and its complexes with (VO(II), Mn (II), Cu (II), Zn (II), Cd (II) and Hg (II) are formed with confirmation of their structures on the bases of spectroscopic analyses. Antimicrobial activity of new complexes are studied against Gram positive S. aureus and Gram negative E. coli, Proteus, Pseudomonas. The octahedral geometrical structures are proved depending on the outcomes from the preceding procedures. Keywords: pyrimidin-2-amine, acetyl isothiocyanate, complexes, Antimicrobial activity

Publication Date

Sun Mar 01 2009

Journal Name

Journal Of Economics And Administrative Sciences

Study of direct marketing methods and identificationThe suitability of each of them for application in the Iraqi marketAn analytical study of the views of a sample of wholesalers in Baghdad

سعدون حمود

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Study of Direct Marketing techniques and determining the scope of the suitability of each of them in the application in the Iraqi market - An analytical and explorative study for sample of views for wholesaler in Baghdad. The essential idea of the research is to go into the most important concepts which have been mentioned in the direct marketing and determining its current and most important techniques and knowing the scope of applying these techniques in Baghdad main markets (Karrada, Jamilah, shorja, Baya area, zeyouna and new Baghdad) and which of those techniques most applicable in these markets. The research took a sample of (100) wholesalers who practice the activities of selling nutritional items, auto and outs spare part

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Publication Date

Sat Sep 30 2023

Journal Name

Iraqi Journal Of Chemical And Petroleum Engineering

Preparation and Characterization of a Hierarchically Porous Zeolite-Carbon Composite from Economical Materials and Green Method

Nargis

Sama

Abdullatif

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Publication Date

Sun Sep 03 2017

Journal Name

Baghdad Science Journal

Preparation and Characterization of Cu (II), Mn(II) and Zn(II)complexes with new sulfamethoxazole Compounds

Sulfamethoxazole

Schiff base complexes

Metal complexes

Antibacterial.

Zahraa A.

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Acetophenone sulfamethoxazole and 3-Nitrobenzophenone sulfamethoxazole were prepared from the reaction of sulfamethoxazole with two ketones. The prepared ligands were identified by (C.H.N) analysis and UV-VIS, FT-IR spectroscopic techniques. Metal complexes of the two ligands were prepared in an aqueous alcohol with Zn (II), Mn (II) and Cu (II) ions with a molar ratio1:1. The proposed general formula for the resulting complexes was [ML.CL2.H2O]H2O .The complexes were characterized by (C.H.N) technique , spectroscopic methods ,conductivity, atomic absorption ,magnetic susceptibility measurements and melting point. According to the results obtained, the suggested geometry is to be octahedral for all the complexes.

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Publication Date

Fri Mar 01 2024

Journal Name

Journal Of Water Process Engineering

Chitosan-vermiculite composite adsorbent: Preparation, characterization, and competitive adsorption of Cu(II) and Cd(II) ions

Chitosan

Metal ions

Reusable material

Sustainable materials

Vermiculite

Albayati N.

Muayad A.

Harith N.

Mohammed

Noor

Tushar K.

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The cost-effective removal of heavy metal ions represents a significant challenge in environmental science. In this study, we developed a straightforward and efficient reusable adsorbent by amalgamating chitosan and vermiculite (forming the CSVT composite), and comprehensively investigated its selective adsorption mechanism. Different techniques, such as Fourier-transform infrared spectroscopy (FTIR), zeta potential analysis, scanning electron microscopy (SEM), X-ray diffraction (XRD), and Brunauer, Emmett, Teller (BET) analysis were employed for this purpose. The prepared CSVT composite exhibited a larger surface area and higher mesoporosity increasing from 1.9 to 17.24 m2/g compared to pristine chitosan. The adsorption capabilities of the

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Publication Date

Sat Sep 30 2023

Journal Name

Iraqi Journal Of Chemical And Petroleum Engineering

Preparation and Characterization of a Hierarchically Porous Zeolite-Carbon Composite from Economical Materials and Green Method

Green materials

hierarchical porosity

NaX zeolite

phase inversion

polymer

carbon

Nargis H.

Sama M.

Abdullatif

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A hierarchically porous structured zeolite composite was synthesized from NaX zeolite supported on carbonaceous porous material produced by thermal treatment for plum stones which is an agro-waste. This kind of inorganic-organic composite has an improved performance because bulky molecules can easily access the micropores due to the short diffusion path to the active sites which means a higher diffusion rate. The composite was prepared using a green synthesis method, including an eco-friendly polymer to attach NaX zeolite on the carbon surface by phase inversion. The synthesized composite was characterized using X-ray diffraction spectrometry, Fourier transforms infrared spectroscopy, field emission scanning electron microscopy, energy d

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Publication Date

Tue Aug 01 2017

Journal Name

Journal Of Molecular Structure

Asymmetric 1,3,4-thiadiazole derivatives: Synthesis, characterization and studying their liquid crystalline properties

Ivan Hameed R.

Dhafir T.A.

Hamed J.

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Publication Date

Wed Jul 22 2015

Journal Name

Plant Growth Regulation

Effect of photosynthetic photon flux density on growth, photosynthetic competence and antioxidant enzymes activity during ex vitro acclimatization of Dieffenbachia cultivars

M.E.

YH

HN

HZ

HS

MP

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Publication Date

Sun May 17 2020

Journal Name

Iraqi Journal Of Science

Partitions on the Projective Plane Over Galois Field of Order 11^m, m=1, 2, 3

Stabilizer Group

Partitions

Arcs

Cross-Ratio

Sura M.A.

Najm Abdulzahra Makhrib

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This research is concerned with the study of the projective plane over a finite field . The main purpose is finding partitions of the projective line PG( ) and the projective plane PG( ) , in addition to embedding PG(1, ) into PG( ) and PG( ) into PG( ). Clearly, the orbits of PG( ) are found, along with the cross-ratio for each orbit. As for PG( ), 13 partitions were found on PG( ) each partition being classified in terms of the degree of its arc, length, its own code, as well as its error correcting. The last main aim is to classify the group actions on PG( ).

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