Gene/Protein Disease Symptom Drug Enzyme Compound
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Query: UNIPROT:Q9UMR3 (NMR)
 150,598 document(s) hit in 31,850,051 MEDLINE articles (0.00 seconds)

The title coordination compound has been synthesized by the reaction of HLaEDTA.7H2O with (formula; see text) in ethanol aqueous solution. The single crystal has grown from aqueous solution and has been characterized by IR, TG-DTA, X-ray powder diffraction, molar conductance, UV and 1H-NMR. The determination of its crystal and molecular structure shows that it crystallizes in space group P21/n with lattice parameters: a = 14.735A, b = 29.335A, c = 16.409A, beta = 99.24 degrees, v = 7009.30A3, z = 4, F(000) = 3488, molecular weight M = 1756.90, Dc = 1.665g/cm3. It has been refined by the full matrix least squares method to final discrepancy factor R = 0.096. The anion [La2(EDTA)2(H2O)4]2- turns out to be a dimer, in which each of the two EDTA4- ions is coordinated to a La3+ ion with five of its six coordinating sites and the remaining sixth one--the oxygen atom of carboxylis bridged to two La3+ ions, thus forming a parallelogrammic four-membered ring La2O2. The nine coordinations about each metal are completed by two water molecules. The average bond length is 2.560 A for La-O and 2.833A for La-N. Approximately, the dimer belongs to point group Ci with the centre of inversion at the centre of La2O2 parallelogram. The antitumor activity of the coordination compound was studied by observing its effect on the incorporation of 3H-TdR into DNA of leukemia (L7712) cells in vitro. The degree of inhibition reached 83.9% after exposing 2 X 10(5) cells per millilitre to 4 X 10(-5) mol/L of the compound for 24 h, being higher than those of its precursors.
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PMID:Study on some biologically active coordination compounds of metal ions (I)--Synthesis, characterization, structure and antitumor activity of complex of 3,6-di-(dimethylamino)-dibenzopyriodonium lanthanum EDTA. 261 Aug 65

The complex formation equilibria of Zn(II) and Cd(II) with cephalexin have been studied through potentiometric titrations. Experimental data were analyzed using the least squares computer program SUPERQUAD. The stability constants were 1g beta ZnCEX+ = 2.40, 1g beta Zn(CEX)(OH) = -4.54, 1g beta CdCEX+ = 2.18, and 1g beta Cd(CEX)(OH) = -5.18 (I = 0.1 M NaNO3), CEX complexes of formulae Zn(CEX)2(3)H2O and Cd(CEX)(OH)H2O have been synthesized and characterized by elemental analysis, IR spectra, conductivity measurements, and electronic and NMR spectra. The thermal behavior of the synthesized compounds were studied by TGA and DTA. We conclude that the metal ion interacts with the amido group of CEX.
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PMID:Antibiotic as ligand. Coordinating behavior of the cephalexin towards Zn(II) and Cd(II) ions. 343 Jan 51

Sulfatides are membrane-bound glycosphingolipids which tend to associate in micellar forms in water. In this study, combining the data obtained by several techniques, including 31P-NMR, DTA calorimetry, freeze-fracture electron microscopy, trapped volume and turbidity measurements plus enzymatic determination of outer-side "marker ganglioside", have enabled us to establish that bilayered liposomes of phosphatidylcholine formed in the presence of increasing amounts of sulfatide are stable up to 30 mol % glycolipid. Above thus, bilayered lipids progressively start to break up into micellar forms with bilayer-micelle transition complete at sulfatide concentrations above 80 mol %. The gel-to-liquid-crystalline phase transition of a dipalmitoylphosphatidylcholine-sulfatide dispersion is shown to strongly influence the equilibrium between micellar and bilayered forms, the micelles being present at higher concentrations as the fluidity of the system decreases. The possibility that such structural transitions may occur in vivo and effectively contribute to the modulation of some biological properties of the membranes is discussed.
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PMID:Bilayer-micelle transition in phosphatidylcholine-sulfatide mixtures. 652 41

A number of organomercury(II) complexes of kojic acid (HL1, I) and maltol (HL2, II) of the type p-XC6H4HgL1 (III) and p-XC6H4HgL2 (IV) [X = Me, MeO, NO2] have been synthesized and characterized. [formula: see text] Conductance measurements indicate the nonelectrolyte behavior of the complexes. From IR and UV studies, the bonding modes of the ligands to the organomercury(II) moieties have been elucidated. The 1H and 13C NMR spectra support the stoichiometry of the complexes. The fragmentation pattern has been analyzed on the basis of mass spectra. From thermal studies (TG and DTA), various kinetic and thermodynamic parameters for thermal degradation have been enumerated. The complexes have been screened against some pathogenic bacterial strains. The bactericidal activity has been correlated with the thermal data.
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PMID:Organomercury(II) complexes of kojic acid and maltol: synthesis, characterization, and biological studies. 815 11

A series of new vitamin B6 triethanolamine rare earth (III) complexes Re(PN)3(TEA)(NO3)2Cl (PN = pyridoxol; TEA = triethanolamine; Re = La1, Ce2, Pr3, Nd4, Sm5, Tb6, Dy7, Ho8, Er9, Y10), were synthesized and characterized by elemental analysis, molar conductance, TGA-DTA, UV, IR, and 1H NMR spectroscopic techniques. The suppression ratio of complexes for the hydroxyl radical (OH.) and the superoxide radical (O2-.) were determined, the results show that these complexes possess scavenging effects on OH. and O2(-.). In this paper we also discuss the effect of complex conc. for the suppression ratio on superoxide radical O2(-.).
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PMID:Synthesis, characterization, and antioxidative activity of new vitamin B6 triethanolamine rare earth (III) complexes. 825 35

Three kinds of amorphous aluminosilicates were synthesized by coprecipitation of silicic acid with aluminum hydroxide in the presence of different inorganic ions: sulfate, chloride, and nitrate. Although the bulk composition of the aluminosilicates obtained was not affected by anion species, their DTA spectra were significantly different, suggesting that their structures also differ. The local structure of Al and Si in the aluminosilicates was studied in detail by 27Al and 29Si MAS NMR. From the 27Al MAS NMR spectra and comparison between 29Si HD- and CP-MAS NMR spectra, it was concluded that the aluminosilicate obtained in the presence of sulfate ions has only a montmorillonite-like structure, whereas in the cases of chloride and nitrate, the solids are composed of three phases: aluminum hydroxide, silica, and the montmorillonite-like aluminosilicate. The difference in the local structure of Al and Si in the aluminosilicates was explained by the difference in interaction between the anions and aluminum ions. Copyright 1999 Academic Press.
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PMID:Effects of Anions on Local Structure of Al and Si in Aluminosilicates. 1033 80

Isocyanate group has been reported as a coupling agent of hydroxyapatite and polymers. The studies showed that the isocyanate would react with hydroxyl groups of hydroxyapatite and form a covalent bond between isocyanate and hydroxyapatite. In the study, hexamethlene diisocyanate (HMDI) was used as coupling agent. Calcium hydrogen-phosphate (CaHPO4, CHP) powders was the candidate ceramic due to higher content of hydroxyl group, which would react with HMDI at the temperature of 30, 40, 50, 60, and 70 degrees C for 4 hours. Dibutyltin dilaurate and hydroquinone were used as catalyst and inhibitor, respectively. The product was analyzed by DTA, TGA, FTIR, XRD, 13C solid state NMR and 31P, 13C liquid state NMR. From the results, we could prove the surface of calcium hydrogen-phosphate has been successfully modified. The largest amount (5.6 wt%) of HMDI could be grafted on the surface of CHP when reacted at 50 degrees C for 4 hours. Some chain extension could be observed and their structure would also be described in the research.
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PMID:Preparation and characterization of surface-modified calcium hydrogenphosphate by hexamethylene diisocyanates. 1083 17

Two isomeric gold(I)-triphenylphosphine complexes with nitrogen-containing heterocycles, [Au(L)(PPh3) (HL = pyrazole (1), imidazole (2)) were isolated as colorless cubic crystals for 1 and colorless plate crystals for 2, respectively. The crystal structures of 1 and 2 were determined by single-crystal X-ray diffraction. These complexes were also fully characterized by complete elemental analyses, thermogravimetric/differential thermal analyses (TG/DTA) and FT-IR in the solid state and by solution NMR (31P, 1H and 13C) spectroscopy and molecular weight measurements in acetone solution. These complexes consisted of a monomeric 2-coordinate AuNP core both in the solid state and in solution. The molecular structures of 1 and 2 were compared with those of related gold(I) complexes, [Au(1,2,3-triz)(PPh3)] (3, Htriz = triazole), [Au(1,2,4-triz)(PPh3)]2 (4) as a dimer through a gold(I)-gold(I) bond in the solid state, and [Au(tetz)(PPh3)] (5, Htetz = tetrazole). Selective and effective antimicrobial activities against two gram-positive bacteria (B. subtilis, S. aureus) and modest activities against one yeast (C. albicans) found in these gold(I) complexes 1-4 are noteworthy, in contrast to poor activities observed in the corresponding silver(I) complexes.
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PMID:Synthesis, crystal structure and antimicrobial activities of two isomeric gold(I) complexes with nitrogen-containing heterocycle and triphenylphosphine ligands, [Au(L)(PPh3)] (HL = pyrazole and imidazole). 1085 18

Mononuclear and polynuclear chelates of potassium picolinoyldithiocarbazate (KHPcDC) with Mn(II), Fe(ll1), Fe(II), Co(Il), Ni(II), Cu(II), Zn(II), Cd(II), Hg(II), Pd(II) and U(VI)O2 have been prepared and characterized by chemical and thermal (TG, DTG, DTA) analyses, molar conductivities, spectral (UV-Visible, IR, NMR, ESR) and magnetic moment measurements. The molar conductivities of the complexes lie in the non-electrolyte range whilst KHPcDC is a 1:1 electrolyte. Changes in selected vibrational absorption of the ligand upon coordination indicate that KHPcDC behaves as monoanionic and coordinates in a bidentate, tridentate and/or bridging tetradentate manner. Trans-form structure is proposed for [Pd(HPcDC)2] x 2H20 and [Cd(HPcDC)2] complexes on the basis of NMR data. An octahedral structure is proposed for Fe(III), Fe(II) and Ni(II) complexes, a square-planar structure for Co(II) and Pd(II) complexes and a tetragonally distorted octahedral structure for the Cu(II) chelate on the basis of spectroscopic and magnetic data. The ligand field parameters (B, Dq, beta) for the Fe(III) and Ni(II) chelates were calculated. TG, DTG and DTA studies support the different modes of chelation of KHPcDC. The solid metal acetate chelates have a unique decomposition exotherm profile which can be used as a rapid and sensitive tool for the detection of acetate-containing complexes.
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PMID:Mononuclear and polynuclear chelates of picolinoyldithiocarbazate. 1092 17

Two water-soluble, silver(I) complexes showing a wide spectrum of effective antibacterial and antifungal activities, i.e., ([Ag(Hhis)].0.2EtOH)2 (1; H2his = L-histidine) and [Ag(Hpyrrld)]2 (3; H2pyrrld = (S)-(-)-2-pyrrolidone-5-carboxylic acid) were prepared. In aqueous solution 1 and 3 were present as dimers, whereas in the solid state they were polymers. Crystallization of 1 by slow evaporation and/or vapor diffusion gave water-insoluble crystals of [Ag(Hhis)]n (2) showing modest antimicrobial activities. The complex 1 in the solid state is a polymer formed by intermolecular hydrogen-bonding interactions between dimeric [Ag(Hhis)]2 cores, while 2 is a different polymer without a core complex. X-ray crystallography revealed that 2 was a left-handed helical polymer consisting of a bent, 2-coordinate silver(I) atom bonding to the Namino atom of one Hhis- ligand and the N pi atom of a different Hhis- ligand. Of particular note is the fact that Ocarboxyl atoms do not participate in the coordination. X-ray crystallography also revealed that 3 was a left-handed helical polymer formed by self-assembly of dimeric [Ag(Hpyrrld)]2 cores with an intramolecular metal(I)-metal(I) interaction (Ag-Ag distance, 2.9022(7) A). The FT-IR and the solid-state 13C and 15N NMR spectra showed that the dimeric core of 1 was formed through Ag-N bonds, while that of 3 was formed through Ag-O bonds. The molecular ions of 1 and 3 were detected by the positive-ion electrospray ionization (ESI) mass spectrometry. For 1-3, characterization by elemental analysis, TG/DTA, FT-IR, and variable-temperature solid-state 13C NMR and room-temperature 15N NMR measurements was performed, and for 1 and 3, that by solution molecular weight measurements and solution (109Ag, 1H, and 13C) NMR spectroscopies was also carried out. The antibacterial and antifungal activities of 1 and 3 were remarkable and comparable to those of the previous silver(I)-N-heterocycle complexes.
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PMID:Synthesis and characterization of water-soluble silver(I) complexes with L-histidine (H2his) and (S)-(-)-2-pyrrolidone-5-carboxylic acid (H2pyrrld) showing a wide spectrum of effective antibacterial and antifungal activities. Crystal structures of chiral helical polymers [Ag(Hhis)]n and ([Ag(Hpyrrld)]2)n in the solid state. 1119 68


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