In-Situ Copper(II) Complexes of Some Quinolone Drug Ligands Were Discussed for Their Molecular Structures: Synthesis in Binary Solvent

2017 ◽  
Vol 14 (1) ◽  
pp. 561-576 ◽  
Author(s):  
Samy M El-Megharbel ◽  
M. A Hussien ◽  
Moamen S Refat
Keyword(s):  
Magnetic Moments ◽  
Esr Spectra ◽  
Molecular Structures ◽  
Water Molecules ◽  
Binary Solvent ◽  
Carboxylate Groups ◽  
Conductance Data ◽  
Spin Resonance ◽  
Ft Ir

A series of copper solid complexes with different generation of quinolone drugs of the type [Cu(L)n(Cl)x(H2O)y]·zH2O ((1) L: nalidixic acid (Nal), n = 2, x = 2, y = 2, z = 9; (2) L: oxolonic acid (Oxo), n = 2, x = 2, y = 2, z = 2; (3) L: pipemidic acid (Pip), n = 2, x = 2, y = 2, z = 4; (4) L: lomefloxacin (Lom), n = 2, x = 2, y = 2, z = 2; (5) L: pefloxacin mesylate (Pef), n = 2, x = 2, y = 2, z 2; (6) L: levofloxacin (Lev), n = 2, x = 2, y = 2, z = 2) were synthesized and identified using micro-analytical, FT-IR spectroscopy, conductance data, effective magnetic moments, electronic UV-vis spectra, electron-spin-resonance (ESR) spectra. Except levofloxacin that behaves as bi-dentate fashion through oxygen atoms of pyridone and carboxylate groups, the other quinolone drug chelates acts as uni-dentate via nitrogen atom of pyridone/piperazyl moiety. Electronic spectroscopic tools are in agreement with an octahedral geometrical structure. Thermal degradation analyses TG-DTG in nitrogen gas environmental are discussed the number and location of water molecules. The thermal decomposition process is completely in 3–5 steps, that the first step is responsible to loss of uncoordinated water molecules. The stabilities of Cu(II) complex 1–5 were studied dependent on activations of energy E*, entropy ΔS*, enthalpy ΔH* and Gibbs free energy ΔG* that have been estimated using Coats-Redfern and Horowitz-Metzeger non-isothermal methods. Molecular docking was used to predict the binding between some quinolone drugs with the receptor of breast cancer mutant 3hb5-oxidoreductase.

scholarly journals Synthesis and Characterisation of Co(II) Cu(II) Zn(III) and La(II) Complexes of Standard Antidiabetic Drugs

2014 ◽  
Vol 11 (1) ◽  
pp. 51-61
Author(s):  
Mohammad Tawkir
Keyword(s):  
Elemental Analysis ◽  
Analysis Data ◽  
Esr Spectra ◽  
Molar Conductance ◽  
Elemental Analysis Data ◽  
Water Molecules ◽  
Geometrical Structures ◽  
Conductance Data ◽  
Ft Ir ◽  
Hydrated Complexes

Metal complxes of Glimeperide drugs were prepared and characterized based on elemental analysis, FT-IR, Molar conductance and thermal analysis (TGA and DTG) technique. From elemental analysis data, the complexes were proposed to have general formulae (GLM)2Co2H2O, (GLM)2Cu, (GLM)2Zn,and (GLM)2La2H2O. The molar conductance data reveal that all the metal complexes are non-electrolytic, IR spectra shows that GLM are coordinated to metal ions in a neutral bidentate manner from the ESR spectra and XRD-spectra. It is found that the geometrical structures of these complexes are tetrahedral Cu(II) ,Zn(II) and octrahedral Co(II), La(II). The thermal behavior of these complexesstudied using thermogravimetric analysis (TGA and DTG) techniques. The results obtained shows that the hydrated complexes lose water molecules of hydration followed immediately by decomposition of the anions and ligand molecules in the successive unseparate steps.

scholarly journals H-Bonds, π-Stacking and (Water)O-H/π Interactions in (µ4-EDTA)Bis(Imidazole) Dicopper(II) Dihydrate

Crystals ◽  
2021 ◽  
Vol 11 (1) ◽  
pp. 48
Author(s):  
Jeannette Carolina Belmont-Sánchez ◽  
María Eugenia García-Rubiño ◽  
Antonio Frontera ◽  
Josefa María González-Pérez ◽  
Alfonso Castiñeiras ◽  
...  
Keyword(s):  
Magnetic Measurements ◽  
Magnetic Behavior ◽  
Esr Spectra ◽  
Water Molecules ◽  
Polymeric Compound ◽  
Π Stacking ◽  
Carboxylate Groups ◽  
3D Network ◽  
Ft Ir

We synthesized and studied the polymeric compound {[Cu2(µ4-EDTA)(Him)2] 2H2O}n (1). The single-crystal structure is reported along with an in depth characterization of its thermal stability (TGA), spectral properties (FT-IR, Vis-UV and RSE), and magnetic behavior. The crystal consists of infinite 2D-networks built by centrosymmetric dinuclear motifs, constructed by means of a bridging anti,syn-carboxylate group from each asymmetric unit. Each layer guides Him ligands toward their external faces. They are connected by intermolecular (Him)N-H···O(carboxylate) bonds and antiparallel π–π stacking between symmetry related pairs of Him ligands, and then pillared in a 3D-network with parallel channels, where disordered water molecules are guested. About half of the labile water is lost from these channels over a wide temperature range (r.t. to 210 °C) before the other one, most strongly retained by the cooperating action of (water)O1-H(1A)···O(carboxylate) and (water) O1-H(1B)···π(Him) interactions. The latter is lost when organic ligands start to burn. ESR spectra and magnetic measurements indicated that symmetry related Cu(II) centers connected by the bridging carboxylate groups behave magnetically not equivalently, enabling an exchange interaction larger than their individual Zeeman energies.

scholarly journals Dicopper(II)-EDTA Chelate as a Bicephalic Receptor Model for a Synthetic Adenine Nucleoside

2021 ◽  
Vol 14 (5) ◽  
pp. 426
Author(s):  
María Eugenia García-Rubiño ◽  
Antonio Matilla-Hernández ◽  
Antonio Frontera ◽  
Luis Lezama ◽  
Juan Niclós-Gutiérrez ◽  
...  
Keyword(s):  
Theoretical Calculations ◽  
Metal Chelate ◽  
Esr Spectra ◽  
Receptor Model ◽  
X Ray Diffraction ◽  
One Pot ◽  
Extensive Field ◽  
Symmetric Molecule ◽  
Spin Resonance ◽  
Ft Ir

In the extensive field of metal ions, their interactions with nucleic acids, and their constituents, the main aim of this work is to develop a metal chelate suitable to recognize two molecules of an adenine nucleoside. For this purpose, the dinuclear chelate Cu2 (µ-EDTA) (ethylenediaminetetraacetate(4-) ion (EDTA)) is chosen as a bicephalic receptor model for N9-(2-hydroxyethyl)adenine (9heade). A one-pot synthesis is reported to obtain the compound [Cu2(µ2-EDTA)(9heade)2(H2O)4]·3H2O, which has been characterized by single-crystal X-ray diffraction and various spectral, thermal, and magnetic methods. The complex unit is a centro-symmetric molecule, where each Cu (II) center is chelated by a half-EDTA, and is further surrounded by an N7-dentate 9heade nucleoside and two non-equivalent trans-O-aqua molecules. The metal chelate-nucleoside molecular recognition is referred to as an efficient cooperation between the Cu-N7(9heade) coordination bond and a (9heade)N6-H···O(carboxyl, EDTA) interligand interaction. Theoretical calculations are also made to account for the relevance of this interaction. The extreme weakness with which each water molecule binds to the metal center disturbs the thermal stability and the infrared (FT-IR) and electron spin resonance (ESR) spectra of the compound.

Synthesis, characterisation, and antioxidant study of Cr(III)-rutin complex

2014 ◽  
Vol 68 (5) ◽  
Author(s):  
Qadeer Panhwar ◽  
Shahabuddin Memon
Keyword(s):  
Antioxidant Activity ◽  
Free Radical ◽  
Bathochromic Shift ◽  
Chloride Ions ◽  
Thermal Study ◽  
Water Molecules ◽  
Gravimetric Analysis ◽  
Conductance Data ◽  
Ft Ir ◽  
Coordinated Water

AbstractThe article describes the synthesis and characterisation of the Cr(III)-rutin complex along with an estimate of its antioxidant activity. The complex was characterised using elemental analysis, UV-VIS, IR, conductance data, thermal, and gravimetric analyses. In the UV-VIS study, a bathochromic shift of approximately 98 nm indicates the formation of a rutin complex by more than one chelating site. The FT-IR spectra clearly show the formation of the Cr—O bond between rutin and Cr(III) at 494 cm−1, while the thermal study shows the presence of eight coordinated water molecules in the complex. The gravimetric analysis quantitatively proves the presence of four chloride ions. From these data, the formula of the Cr(III)-rutin complex was deduced as [Cr2(C27H28O16)(H2O)8]Cl4. Moreover, the antioxidant study of the complex was evaluated by using 2,2′-diphenyl-1-picrylhydrazyl (DPPH) free-radical, ferric-reducing, and phosphomolybdenum assays, which show that the complex has a higher antioxidant activity than rutin.

scholarly journals In situ methanolic solvent synthesis, spectroscopic and thermogravimetric characterizations of three new transition metal complexes of trimethoprim drug

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Moamen S. Refat ◽  
Jehan Y. Al-Humaidi ◽  
Mohamed Y. El-Sayed ◽  
Reham F. Hassan
Keyword(s):  
Pyrimidine Ring ◽  
Molar Conductance ◽  
Tridentate Ligand ◽  
Water Molecules ◽  
Chlorine Atoms ◽  
Transmission Electron ◽  
Vis Spectroscopy ◽  
Spin Resonance ◽  
Coordinated Water

Abstract Trimethoprim drug (TMP) complexes of copper (II), cobalt (II), and nickel (II) were prepared and discussed by using elemental analysis (C, H, N analysis), magnetic, molar conductance, FTIR, Raman spectroscopy, electron spin resonance (ESR) and UV-vis spectroscopy analyses. TMP drug coordinated as a tridentate ligand towards the respected three metal ions through two nitrogen atoms of amino groups and nitrogen atom of pyrimidine ring which flanked between –NH2 groups, these assignments confirmed by spectroscopic, magnetic, ESR and thermogravimetric analyses with formulas [Cu(TMP)(H2O)3]Cl2, [Co(TMP)(H2O)3]Cl2 and [Ni(TMP) (H2O)]Cl2. Copper (II) and cobalt (II) complexes have an octahedral geometrical structure included one TMP molecule, three coordinated water molecules and two uncoordinated chlorine atoms while, nickel(II)–TMP complex has a tetrahedral geometric configuration that involved one TMP molecule, one coordinated water molecule and two uncoordinated chlorine atoms. The activation energies and other kinetic thermodynamic parameters were estimated based on the employed of the Coats-Redfern and Horowitz-Metzger equations. The nano–structured form of the synthesized TMP complexes was confirmed dependent on the transmission electron microscopy (TEM).

Structural diversity, magnetic properties and luminescence of NiII, CoII and ZnII coordination polymers derived from 3,3′-[(5-carboxy-1,3-phenylene)bis(oxy)]dibenzoic acid and 1,10-phenanthroline

2019 ◽  
Vol 75 (12) ◽  
pp. 1580-1592 ◽  
Author(s):  
Dong-Dong Yang ◽  
Li-Ping Lu ◽  
Miao-Li Zhu
Keyword(s):  
Coordination Polymers ◽  
Structural Diversity ◽  
Complex Iii ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Carboxylate Groups ◽  
Distorted Octahedral ◽  
Secondary Building Units ◽  
Ft Ir ◽  
Ferromagnetic Interactions

Three novel coordination polymers (CPs), namely poly[[di-μ-aqua-bis{μ4-3,3′-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ5 O 1:O 1′,O 3:O 5:O 5′}bis(1,10-phenanthroline-κ2 N,N′)trinickel(II)] dimethylformamide 1.5-solvate trihydrate], {[Ni3(C21H11O8)2(C12H8N2)2(H2O)2]·1.5C3H7NO·3H2O} n , (I), poly[[di-μ-aqua-bis{μ4-3,3′-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ5 O 1:O 1′,O 3:O 5:O 5′}bis(1,10-phenanthroline-κ2 N,N′)tricobalt(II)] diethylamine disolvate tetrahydrate], {[Co3(C21H11O8)2(C12H8N2)2(H2O)2]·2C2H7N·4H2O} n , (II), and catena-poly[[aqua(1,10-phenanthroline-κ2 N,N′)zinc(II)]-μ-5-(3-carboxyphenoxy)-3,3′-oxydibenzoato-κ2 O 1:O 3], [Zn(C21H12O8)(C12H8N2)(H2O)] n , (III), have been synthesized by the reaction of different metal ions (Ni2+, Co2+ and Zn2+), 3,3′-[(5-carboxy-1,3-phenylbis(oxy)]dibenzoic acid (H3cpboda) and 1,10-phenanthroline (phen) under solvothermal conditions. All the CPs were characterized by elemental analysis, single-crystal and powder X-ray diffraction, FT–IR spectroscopy and thermogravimetric analysis. Complexes (I) and (II) have isomorphous structures, featuring similar linear trinuclear structural units, in which the central NiII/CoII atom is located on an inversion centre with a slightly distorted octahedral [NiO6]/[CoO6] geometry. This comprises four carboxylate O-atom donors from two cpboda3− ligands and two O-atom donors from bridging water molecules. The terminal NiII/CoII groups are each connected to the central NiII/CoII cation through two μ1,3-carboxylate groups from two cpboda3− ligands and one water bridge, giving rise to linear trinuclear [M 3(μ2-H2O)2(RCOO)4] (M = Ni2+/Co2+) secondary building units (SBUs) and the SBUs develop two-dimensional-networks parallel to the (100) plane via cpboda3− ligands with new (32·4)2(32·83·9)2(34·42.82·94·103) topological structures. Zinc complex (III) displays one-dimensional coordination chains and the five-coordinated Zn atom forms a distorted square-pyramidal [ZnO3N2] geometry, which is completed by two carboxylate O-atom donors from two distinct Hcpboda2− ligands, one O atom from H2O and two N atoms from a chelating phen ligand. Magnetically, CP (I) shows weak ferromagnetic interactions involving the carboxylate groups, and bridging water molecules between the nickel(II) ions, and CP (II) shows antiferromagnetic interactions between the Co2+ ions. The solid-state luminescence properties of CP (III) were examined at ambient temperature and the luminescence sensing of Cr2O7 2−/CrO4 2− anions in aqueous solution for (III) has also been investigated.

scholarly journals New Insights into the Chemistry of Oxovanadium(IV) Complexes with N4 Coordinating Ligands

2013 ◽  
Vol 2013 ◽  
pp. 1-5 ◽  
Author(s):  
Ashok Kumar Yadava ◽  
Hardeo Singh Yadav ◽  
Uma Shanker Yadav ◽  
Devendra Pratap Rao
Keyword(s):  
Chelating Agents ◽  
Magnetic Moments ◽  
Molar Conductance ◽  
In Situ Method ◽  
Vanadyl Ion ◽  
Spin Resonance ◽  
Elemental Analyses ◽  
Resonance Data ◽  
Electron Spin Resonance Data

The syntheses of new oxovanadium(IV) complexes having general formula [VO(mac)]SO4 have been carried out by using in situ method of preparation where vanadyl ion acts as kinetic template for the ligands derived by condensation of 2,2′-pyridil with 1,2-diaminopropane and 1,3-diaminopropane. The complexes were characterized by elemental analyses, molar conductance, magnetic moments, and spectral (infrared, electronic, and electron spin resonance) data. All the oxovanadium(IV) complexes are five coordinate wherein derived ligands act as tetradentate chelating agents.

In-situ TEM observation of rock salt crystal precipitation in liposome

MRS Advances ◽  
2016 ◽  
Vol 1 (25) ◽  
pp. 1871-1876
Author(s):  
Haruka Ai ◽  
Naoto Moriya ◽  
Takuji Ube ◽  
Takashi Harumoto ◽  
Yoshihiro Arai ◽  
...  
Keyword(s):  
Rock Salt ◽  
Physiological Saline ◽  
Water Molecules ◽  
In Situ Tem ◽  
Ultrapure Water ◽  
Salt Crystal ◽  
Dipalmitoyl Phosphatidylcholine ◽  
Ft Ir ◽  
Ft Ir Spectroscopy

ABSTRACTLiposome reinforced by adding cholesterol was synthesized using the dipalmitoyl-phosphatidylcholine (DPPC). Phase stability of the phospholipid bilayers was examined by FT-IR spectroscopy. The reinforced liposomes filled with ultrapure water or physiological saline were observed by the conventional TEM equipped with a mass spectrometer. It was confirmed that the liposomes filled with water or saline solution were stable in the vacuum at room temperature. However, during electron irradiation, water molecules escaped gradually, and a single crystal of rock salt precipitated in the liposome.

FT-IR microspectroscopic analysis of diseased white matter brain tissues

1995 ◽  
Vol 53 ◽  
pp. 968-969
Author(s):  
Steven M. Le Vine ◽  
David L. Wetzel
Keyword(s):  
White Matter ◽  
Gray Matter ◽  
Twitcher Mouse ◽  
Grid Pattern ◽  
Marked Contrast ◽  
Spatially Resolved ◽  
Ft Ir ◽  
Ir Microspectroscopy ◽  
Chemical Evidence

In situ FT-IR microspectroscopy has allowed spatially resolved interrogation of different parts of brain tissue. In previous work the spectrrscopic features of normal barin tissue were characterized. The white matter, gray matter and basal ganglia were mapped from appropriate peak area measurements from spectra obtained in a grid pattern. Bands prevalent in white matter were mostly associated with the lipid. These included 2927 and 1469 cm-1 due to CH2 as well as carbonyl at 1740 cm-1. Also 1235 and 1085 cm-1 due to phospholipid and galactocerebroside, respectively (Figs 1and2). Localized chemical changes in the white matter as a result of white matter diseases have been studied. This involved the documentation of localized chemical evidence of demyelination in shiverer mice in which the spectra of white matter lacked the marked contrast between it and gray matter exhibited in the white matter of normal mice (Fig. 3).The twitcher mouse, a model of Krabbe’s desease, was also studied. The purpose in this case was to look for a localized build-up of psychosine in the white matter caused by deficiencies in the enzyme responsible for its breakdown under normal conditions.

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