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Query: UNIPROT:P06889 (
Mol
)
630,302
document(s) hit in 31,850,051 MEDLINE articles (0.00 seconds)
The 4-hydroxy benzaldehyde-N-methyl 4-stilbazolium tosylate (HBST), a good non-linear optical (NLO) crystal has been synthesized and the single crystal has been grown by slow evaporation method. In this work we have used ethyl acetate mixed methanol (1:1 ratio) as solvent. The lattice parameters were calculated from the powder X-ray diffraction patterns and compared with previous reports. The crystalline perfection has been verified with multicrystal X-ray diffractometer. The functional groups were identified from FTIR and NMR spectral studies. In order to know the optical quality of the grown crystal, the UV-Vis-NIR absorption spectrum was recorded and optical transition energy levels were also calculated. The thermal properties were analyzed from TG/
DTA
data. The relative SHG efficiency was compared with urea by Kurtz powder method.
Spectrochim Acta A
Mol
Biomol Spectrosc 2009 Jul
PMID:Growth and characterization of organic non-linear optical crystal 4-hydoroxy benzaldehyde-N-methyl 4-stilbazolium tosylate (HBST). 1925 77
Novel Schiff base (HL) ligand is prepared via condensation of 4-aminoantipyrine and 2-aminobenzoic acid. The ligand is characterized based on elemental analysis, mass, IR and (1)H NMR spectra. Metal complexes are reported and characterized based on elemental analyses, IR, (1)H NMR, solid reflectance, magnetic moment, molar conductance and thermal analyses (TGA, DrTGA and
DTA
). The molar conductance data reveal that all the metal chelates are non-electrolytes. IR spectra show that HL is coordinated to the metal ions in a uninegatively tridentate manner with NNO donor sites of the azomethine N, amino N and deprotonated caroxylic-O. From the magnetic and solid reflectance spectra, it is found that the geometrical structures of these complexes are octahedral. The thermal behaviour of these chelates shows that the hydrated complexes losses water molecules of hydration in the first step followed immediately by decomposition of the anions and ligand molecules in the subsequent steps. The activation thermodynamic parameters, such as, E*, DeltaH*, DeltaS* and DeltaG* are calculated from the DrTG curves using Coats-Redfern method. The synthesized ligands, in comparison to their metal complexes also were screened for their antibacterial activity against bacterial species, Escherichia Coli, Pseudomonas aeruginosa, Staphylococcus Pyogones and Fungi (Candida). The activity data show that the metal complexes to be more potent/antibacterial than the parent Shciff base ligand against one or more bacterial species.
Spectrochim Acta A
Mol
Biomol Spectrosc 2009 Jul 15
PMID:Spectroscopic characterization of metal complexes of novel Schiff base. Synthesis, thermal and biological activity studies. 1936 50
The novel hydrogensquarate salt of 1,10-phenanthroline has been synthesized, isolated and structurally elucidated by single crystal X-ray diffraction. 1,10-Phenanthrolinium hydrogensquarate monohydrate (1) crystallizes in the non-centrosymmetric P2(1) space group. Its hydrogensquarate anions form a stable dimer by means of ((Sq))OHc...O=C((Sq)) hydrogen bonds with lengths of 2.509, 2.526, 2.510, and 2.524A. The solvent water molecule interacts with the anion dimers by means of strong and moderate hydrogen bonds HOHc...O=C((Sq)) with bond lengths of 2.782 and 2.845A, respectively. The 1,10-phenanthrolinium cation participates in NHc...OH(2) interactions with the water molecule (bond lengths of 2.810, 2.758, 2.779 and 2.760A). Surprisingly, compound contains four independent molecules in the unit cell. Optical properties were elucidated by means of linear-polarized solid-state IR-spectroscopy and UV-spectroscopy. In addition TGA, DSC,
DTA
data, positive and negative ESI mass spectra as well as (1)H- and (13)C NMR spectra are presented. Quantum chemical methods were used to calculate the electronic structure, vibrational data and electronic spectra as well as non-linear optical properties of neutral 1,10-phenanthroline and its protonated cation. Second harmonic generation measurements of the novel compound demonstrate that the compound possesses effective d coefficients of 1.9+/-0.5 pm V(-1), value that is about three times higher that of the low temperature form of potassium dideuterophosphate.
Spectrochim Acta A
Mol
Biomol Spectrosc 2009 Sep 01
PMID:1,10-Phenanthrolinium hydrogensquarate monohydrate--a non-centrosymmetric structure from two non-chiral agents. 1950 45
A new pyridine-2,6-dicarboxylate iron(III)/iron(II) complex [Fe(phen)(3)][Fe(2)(PDC)(4)].3CH(3)OH was synthesized and characterized (where PDC=pyridine-2,6-dicarboxylate, phen=1,10-phenanthroline) by using elemental analysis, IR spectroscopy and thermal analyses (TGA and
DTA
). The molecular structure of the complex has been determined by single-crystal X-ray diffraction. The complex is mixed-ligands and the IR spectra display bands characteristic of coordinated mixed-ligand bases. All the IR results are in agreement with the X-ray crystal result. The bond lengths indicate that this complex has [Fe(phen)(3)](2+) cation where Fe(II) ion is in typical low-spin state, and in counter ions, [Fe(PDC)(2)](-) are both in high-spin state.
Spectrochim Acta A
Mol
Biomol Spectrosc 2009 Sep 15
PMID:Synthesis, infrared spectra, thermal analyses and structural studies of half-sandwich Fe(III)/Fe(II) complex containing pyridine-2,6-dicarboxylate and 1,10-phenanthroline. 1954 Jul 97
Replacement reactions of toluene-3,4-dithiolatoantimony(III) chloride with oxygen and/or sulphur donor ligands like benzoic acid, thiobenzoic acid, thioacetic acid, phenol, thiophenol, sodium salicylate and thio glycolic acid in 1:1 molar ratio as well as disodium oxalate in 2:1 molar ratio in refluxing anhydrous benzene yielded toluene-3,4-dithiolatoantimony(III) mono oxo and/or thio carboxylic or phenolic derivatives of the general formula {R=OOCC(6)H(5), SOCC(6)H(5), SOCCH(3), OC(6)H(5), SC(6)H(5), OOCC(6)H(4)(OH) and SCH(2)COOH} and These newly synthesized derivatives are yellow and brown solids/liquids and are soluble in common organic solvents like benzene, chloroform, dichloromethane, etc. These derivatives have been characterized by melting point determination, molecular weight determination, elemental analysis (C, H, S and Sb), spectral {UV, IR and NMR ((1)H and (13)C)} and thermal (TGA,
DTA
and DSC) studies.
Spectrochim Acta A
Mol
Biomol Spectrosc 2009 Sep 15
PMID:Synthesis and characterization of toluene-3,4-dithiolatoantimony(III) derivatives with some oxygen and/or sulphur donor ligands. 1956 Mar 95
New nano-blue ceramic pigments of Co(x)Mg(1-x)Al(2)O(4) (0< or =x< or =0.1) have been prepared by co-precipitate-combustion as a hybrid method using urea as a fuel at 500 degrees C in open furnace in air atmosphere. The structure of pigment is assigned based on TGA/
DTA
/DrTGA analyses, X-ray diffraction (XRD) and transmission electron microscopy (TEM). Also, electronic spectra, infrared (IR) and diffuse reflectance spectroscopy (DRS) using CIE L*a*b* parameter measurement techniques were used. The results revealed that the nano-particle size of pigments were obtained in the range 30-38 nm as well as the varying colors and particle size as a result of different calcinations temperatures within the range of 500-1200 degrees C for 2h.
Spectrochim Acta A
Mol
Biomol Spectrosc 2009 Oct 15
PMID:Synthesis and spectral characterization of CoxMg1-xAl2O4 as new nano-coloring agent of ceramic pigment. 1972 May 63
Two solvent-induced trinuclear nickel(II) clusters, [{NiL(CH(3)OH)}(2)(OAc)(2)Ni].2CH(3)OH (I) and [{NiL(C(2)H(5)OH)}(2)(OAc)(2)Ni].2C(2)H(5)OH (II), have been synthesized by the reaction of a new Salen-type bisoxime chelating ligand of 5,5'-di(N,N'-diethylamino)-2,2'-[(1,3-propylene)dioxybis(nitrilomethylidyne)]diphenol (H(2)L) with nickel(II) acetate tetrahydrate in different solvents. Clusters I and II were characterized by elemental analyses, IR spectra, UV-vis absorption spectra, TG-
DTA
and X-ray diffraction methods. In clusters I (or II), there are two ligand moieties (which provide N(2)O(2) donors), two acetate ions, two coordinated methanol (or ethanol) molecules and two crystallizing methanol (or ethanol) molecules, which result in the formation of three slightly distorted octahedral geometries around Ni(II) ions. Interestingly, nickel(II) ions in the structures of clusters I and II are all six-coordinated geometry, but clusters I and II are grown up in different solvent. Right because of this, solvent effect cause to their different crystal structures.
Spectrochim Acta A
Mol
Biomol Spectrosc 2009 Oct 15
PMID:Synthesis, structure and spectroscopic properties of two new trinuclear nickel(II) clusters possessing solvent effect. 1974 Jun 99
The present work reports the successful synthesis of nano-hydroxyapatite, Ca(10)(PO(4))(6)(OH)(2) (denoted HAP) from calcined eggshell by hydrothermal method using cationic surfactant (CTAB) as regulator of nucleation and crystal growth. The reaction involved in the synthesis was studied elaborately. The influence of reaction temperature, ageing time and CTAB concentration on the synthesis of nano-HAP are also studied in addition to the effect of sintering temperature on the crystal growth. Spectral characterization involving Fourier transform infrared spectroscopy (FT-IR) and X-ray diffraction (XRD) techniques were performed for functional group analysis and phase identification of the materials, respectively. Thermal stability of nano-HAP was investigated by thermal analysis (TG/
DTA
). The physical characteristics, such as morphology and particle size of the synthesized nano-HAP were assessed thoroughly by scanning electron microscopy (SEM) and atomic force microscopy (AFM) techniques. The results have revealed that well-crystallized nano-HAP was synthesized by hydrothermal treatment at 160 degrees C for 10 h with the addition of CTAB at critical micelle concentration (CMC). It was also found that the synthesized nano-HAP was thermally stable up to 1100 degrees C.
Spectrochim Acta A
Mol
Biomol Spectrosc 2009 Dec
PMID:Spectroscopic investigations on the synthesis of nano-hydroxyapatite from calcined eggshell by hydrothermal method using cationic surfactant as template. 1983 96
Single crystals of L-arginine maleate dihydrate (LAMD) were successfully grown from aqueous solution by solvent evaporation technique. As-grown crystals were analyzed by different instrumentation techniques such as X-ray powder diffraction (XRD), Fourier transform infrared (FTIR) spectra and UV-vis near infrared (NIR) transmittance spectra. Thermal behavior has been studied with TGA/
DTA
analyses. The optical second harmonic generation (SHG) conversion efficiency of LAMD was determined using Kurtz powder technique and found to be 1.5 times that of KDP.
Spectrochim Acta A
Mol
Biomol Spectrosc 2010 Jan
PMID:Growth and characterization of NLO based L-arginine maleate dihydrate single crystal. 1991 62
The novel 3-phenylpyridinium hydrogensquarate (1) has been synthesized and its structure and properties are elucidated spectroscopically, thermally and structurally, using single crystal X-ray diffraction, linear-polarized solid-state IR-spectroscopy, UV-spectroscopy, TGA, DSC,
DTA
and ESI MS. Quantum chemical calculations were used to obtain the electronic structure, vibrational data and electronic spectrum. 3-Phenylpyridinium hydrogensquarate, crystallizes in the space group P-1 and the ions in the unit cell are joined into layers by intermolecular NH...O=C((Sq)) bonds with bond lengths of 2.625 and 2.626 A, respectively. Hydrogentartarates form dimers by strong O=COH...OCO interactions (2.499 A).
Spectrochim Acta A
Mol
Biomol Spectrosc 2010 Jan
PMID:Crystal structure and spectroscopic elucidation of 3-phenylpyridinium hydrogensquarate. 1993 83
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