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Bioinorganic Chemistry and Applications

Jiaqi Mai, Yunlan Li, Xiaozhi Qiao, Xiaoqing Ji, Qingshan Li
Diorganotin(IV) antitumor compound bis-[2,6-difluoro- N -(hydroxyl-<κ> O )benzamidato-<κ> O ] (DBDF2,6T) was one of the novel patent organotin compounds with high antitumor activity and relatively low toxicity. In this study, several methods were used to study the interaction between DBDF2,6T and hPPAR γ protein, including fluorescence quenching, three-dimensional (3D) fluorescence, drug affinity responsive target stability (DARTS), ultrafiltration-LC, and molecular docking. According to the experimental results, the quenching process of the hPPAR γ protein was induced by static quenching mode to form a nonradiative ground-state complex with DBDF2,6T spontaneously, mainly through the hydrophobic force...
2018: Bioinorganic Chemistry and Applications
Adebayo A Adeniyi, Peter A Ajibade
The anticancer study of nitrogen-chelating ligands can be of tremendous help in choosing ligands for the anticancer metal complexes design especially with ruthenium(II). The inhibitory anticancer activities of some nitrogen-chelating ligands containing bis-pyrazole, bipyridine, and phenanthroline were studied using experimental screening against cancer cell and theoretical docking methods. In vitro anticancer activities showed compound 11 as the most promising inhibitor, and the computational docking further indicates its strong inhibitory activities towards some cancer-related receptors...
2018: Bioinorganic Chemistry and Applications
Ting Liu, Yi-An Wang, Qing Zang, Guo-Qing Zhong
A Cu(II) complex [Cu(bipy)(H2 O)2 (SO4 )] n (bipy = 2,2'-bipyridine) was synthesized by hydrothermal method and characterized structurally by elemental analyses, single crystal X-ray diffraction, infrared spectra, and thermogravimetry and differential scanning calorimetry. The Cu(II) was hexacoordinated by two N atoms from bipy, two O atoms from different sulfate radical anions, and two O atoms from two water molecules, forming a slightly distorted octahedral geometry, and bridged by sulfato groups into polymeric chains...
2018: Bioinorganic Chemistry and Applications
Gühergül Uluçam, Murat Turkyilmaz
Four newly synthesized imidazolium salts were characterized by nuclear magnetic resonance, vibrational spectra, and mass spectra. Then, the density functional theory calculations were performed to obtain the molecular configurations on which the theoretical nuclear magnetic resonance and infrared spectra were consequently obtained. The comparison of calculated spectra with the experimental spectra for each molecule leads to the conclusion that the theoretical results can be assumed to be a good approach to their molecular configurations...
2018: Bioinorganic Chemistry and Applications
Samuel Tetteh
The interaction between nickel (Ni2+ ), copper (Cu2+ ), and zinc (Zn2+ ) ions and 1-methylimidazole has been studied by exploring the geometries of eleven crystal structures in the Cambridge Structural Database (CSD). The coordination behavior of the respective ions was further investigated by means of density functional theory (DFT) methods. The gas-phase complexes were fully optimized using B3LYP/GENECP functionals with 6-31G∗ and LANL2DZ basis sets. The Ni2+ and Cu2+ complexes show distorted tetrahedral geometries around the central ions, with Zn2+ being a perfect tetrahedron...
2018: Bioinorganic Chemistry and Applications
Ismail Althagafi, Nashwa M El-Metwaly, Marwa G Elghalban, Thoraya A Farghaly, Abdalla M Khedr
Four pyrazolone derivatives and their corresponding silver complexes were synthesized and characterized. Based on elemental analysis, 1 : 2 (M : L) molar ratio was suggested for all inspected complexes. 1 H, 13 C NMR, mass, UV-Vis, TGA, and IR were the spectral tools used for describing the formulae. Moreover, XRD patterns and SEM pictures were used to evaluate the particle sizes which appeared strongly in nanometer range. CT-DNA study is the major consideration in this study, to test the interacting ability of all synthesized cationic complexes towards cell DNA...
2018: Bioinorganic Chemistry and Applications
Ren-Shi Shyu, Themmila Khamrang, Joen-Rong Sheu, Chih-Wei Hsia, Marappan Velusamy, Chih-Hsuan Hsia, Duen-Suey Chou, Chao-Chien Chang
Platelet activation has been reported to play a major role in arterial thrombosis, cancer metastasis, and progression. Recently, we developed a novel Ir(III)-based compound, [Ir(Cp∗ )1-(2-pyridyl)-3-(4-dimethylaminophenyl)imidazo[1,5-a]pyridine Cl]BF4 or Ir-6 and assessed its effectiveness as an antiplatelet drug. Ir-6 exhibited higher potency against human platelet aggregation stimulated by collagen. Ir-6 also inhibited ATP-release, intracellular Ca2+ mobilization, P-selectin expression, and the phosphorylation of phospholipase C γ 2 (PLC γ 2), protein kinase C (PKC), v-Akt murine thymoma viral oncogene (Akt)/protein kinase B, and mitogen-activated protein kinases (MAPKs), in collagen-activated platelets...
2018: Bioinorganic Chemistry and Applications
Snežana Rajković, Beata Warżajtis, Marija D Živković, Biljana Đ Glišić, Urszula Rychlewska, Miloš I Djuran
Dinuclear platinum(II) complexes, [{Pt(en)Cl}2 ( μ -qx)]Cl2 ·2H2 O ( 1 ), [{Pt(en)Cl}2 ( μ -qz)](ClO4 )2 ( 2 ), and [{Pt(en)Cl}2 ( μ -phtz)]Cl2 ·4H2 O ( 3 ), were synthesized and characterized by different spectroscopic techniques. The crystal structure of 1 was determined by single-crystal X-ray diffraction analysis, while the DFT M06-2X method was applied in order to optimize the structures of 1-3 . The chlorido Pt(II) complexes 1-3 were converted into the corresponding aqua species 1a-3a , and their reactions with an equimolar amount of Ac-L-Met-Gly and Ac-L-His-Gly dipeptides were studied by 1 H NMR spectroscopy in the pH range 2...
2018: Bioinorganic Chemistry and Applications
Ayodele Temidayo Odularu
Monodispersed forms of metal nanoparticles are significant to overcome frightening threat of cancer. This review examined pragmatically thermal decomposition as one of the best ways to synthesize monodispersed metal nanoparticles which are stable and of small particle sizes. Controlled morphology for delivery of anticancer agent to specific cells can also be obtained with thermal decomposition. In addition to thermal decomposition, the study also looked into processes of characterization techniques, biological evaluation, toxicity of nanoparticles, and future perspectives...
2018: Bioinorganic Chemistry and Applications
Londolani C Maremeni, Sekomeng J Modise, Fanyana M Mtunzi, Michael J Klink, Vusumzi E Pakade
Macadamia nutshell powder oxidized by hydrogen peroxide solutions (MHP) was functionalized by immobilizing 1,5'-diphenylcarbazide (DPC) on its surface. The effectiveness of grafting was confirmed by the Fourier transform infrared spectrum due to the presence of NH and C=C stretches at 3361, 1591, and 1486 cm-1 , respectively, on the grafted material which were absent in the nongrafted material. Thermogravimetric analysis revealed that the presence of DPC on the surface of Macadamia shells lowered the thermal stability from 300°C to about 180°C owing to the volatile nature of DPC...
2018: Bioinorganic Chemistry and Applications
Yan-Ren Lin, Yuan-Jhen Syue, Tsung-Han Lee, Chu-Chung Chou, Chin-Fu Chang, Chao-Jui Li
Background: Sustained return of spontaneous circulation (ROSC) can be initially established in patients with out-of-hospital cardiac arrest (OHCA); however, the early postresuscitation hemodynamics can still be impaired by high levels of serum potassium (hyperkalemia). The impact of different potassium levels on early postresuscitation heart function has remained unclear. We aim to analyze the relationship between different levels of serum potassium and postresuscitation heart function during the early postresuscitation period (the first hour after achieving sustained ROSC)...
2018: Bioinorganic Chemistry and Applications
Anshul Singh, Ashu Chaudhary
We present an inclusive characterization of the unimetallic and heterobimetallic complexes of copper synthesized using CuCl2 and diamine (4-fluoro 1,2-phenylenediamine) resulting in monometallic complex which further undergoes treatment with organometallic dichlorides of group 4 and 14 in 1 : 2 molar ratio resulting in heterobimetallic complexes. These complexes thoroughly characterized using various physical, analytical, and spectroscopic techniques indicate square planar and distorted octahedral geometry for the synthesized unimetallic and heterobimetallic complexes, respectively...
2018: Bioinorganic Chemistry and Applications
Ali Alsalme, Rais Ahmad Khan, Arwa M Alkathiri, Mohd Sajid Ali, Sartaj Tabassum, Mohammed Jaafar, Hamad A Al-Lohedan
β -Carbolines ( β Cs) belong to the naturally occurring alkaloid family, derived from 9H-pyrido[3,4-b]indole, also known as norharmane (Hnor). Knowing the importance of the β Cs alkaloid family in biological processes, a comprehensive binding study is reported of four Ag(I) compounds containing the ligand Hnor and having different counteranions, namely, NO3 - , ClO4 - , BF4 - , and PF6 - , with human serum albumin (HSA) as a model protein. Different approaches like UV-visible, fluorescence spectroscopy, circular dichroism (CD), and molecular docking studies have been used for this purpose...
2018: Bioinorganic Chemistry and Applications
Ting Liu, Rong-Gui Yang, Guo-Qing Zhong
The novel 3D edta-linked heterometallic complex [Sb2 Er(edta)2 (H2 O)4 ]NO3 ·4H2 O (H4 edta = ethylenediaminetetraacetic acid) was synthesized and characterized by elemental analyses, single-crystal X-ray diffraction, powder X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and thermal analysis. The complex crystallizes in the monoclinic system with space group Pm . In the complex, each erbium(III) ion is connected with antimony(III) ions bridging by four carboxylic oxygen atoms, and in each [Sb(edta)]- anion, the antimony(III) ion is hexacoordinated by two nitrogen atoms and four oxygen atoms from the edta4- ions, together with a lone electron pair at the equatorial position...
2018: Bioinorganic Chemistry and Applications
Nalin Abeydeera, Inoka C Perera, Theshini Perera
Four Zn(II) complexes containing a pyridyl triazine core ( L 1 = 3-(2-pyridyl)-5,6-di(2-furyl)-1,2,4-triazine-5',5″-disulfonic acid disodium salt and L 2 = 3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine-4',4″-disulfonic acid sodium salt) were synthesized, and their chemical formulas were finalized as [Zn(L1)Cl2 ]·5H2 O·ZnCl2 ( 1 ), [Zn(L1)2 Cl2 ]·4H2 O·2CH3 OH ( 2 ), [Zn(L2)Cl2 ]·3H2 O·CH3 OH ( 3 ), and [Zn(L2)2 Cl2 ] ( 4 ). The synthesized complexes are water soluble, making them good candidates for biological applications...
2018: Bioinorganic Chemistry and Applications
Jen-Hao Cheng, Chien-Chih Huang, Yen-Hua Huang, Cheng-Yang Huang
Dihydropyrimidinase, a dimetalloenzyme containing a carboxylated lysine within the active site, is a member of the cyclic amidohydrolase family, which also includes allantoinase, dihydroorotase, hydantoinase, and imidase. Unlike all known dihydropyrimidinases, which are tetrameric, pseudomonal dihydropyrimidinase forms a dimer at neutral pH. In this paper, we report the crystal structure of P. aeruginosa dihydropyrimidinase at pH 5.9 (PDB entry 5YKD). The crystals of P. aeruginosa dihydropyrimidinase belonged to space group C 2221 with cell dimensions of a  = 108...
2018: Bioinorganic Chemistry and Applications
Winda Rahmalia, Jean-François Fabre, Thamrin Usman, Zéphirin Mouloungui
The adsorption of bixin in aprotic solvents onto acid- and alkali-treated kaolinite was investigated. Kaolinite was treated three times, for 6 h each, with 8 M HCl or 5 M KOH. The adsorbents were characterized by XRD, FT-IR, EDS, and BET-N2 . The effects of contact time and dye concentration on adsorption capacity and kinetics, electronic transition of bixin before and after adsorption, and also mechanism of bixin-kaolinite adsorption were investigated. Dye adsorption followed pseudo-second order kinetics and was faster in acetone than in dimethyl carbonate...
2018: Bioinorganic Chemistry and Applications
Seok Woo Chang
Chemical composition and porosity characteristics of calcium silicate-based endodontic cements are important determinants of their clinical performance. Therefore, the aim of this study was to investigate the chemical composition and porosity characteristics of various calcium silicate-based endodontic cements: MTA-angelus, Bioaggregate, Biodentine, Micromega MTA, Ortho MTA, and ProRoot MTA. The specific surface area, pore volume, and pore diameter were measured by the porosimetry analysis of N2 adsorption/desorption isotherms...
2018: Bioinorganic Chemistry and Applications
Valeria Sivo, Gianluca D'Abrosca, Luigi Russo, Rosa Iacovino, Paolo Vincenzo Pedone, Roberto Fattorusso, Carla Isernia, Gaetano Malgieri
Co(II) electronic configuration allows its use as a spectroscopic probe in UV-Vis experiments to characterize the metal coordination sphere that is an essential component of the functional structure of zinc-binding proteins and to evaluate the metal ion affinities of these proteins. Here, exploiting the capability of the prokaryotic zinc finger to use different combinations of residues to properly coordinate the structural metal ion, we provide the UV-Vis characterization of Co(II) addition to Ros87 and its mutant Ros87_C27D which bears an unusual CysAspHis2 coordination sphere...
2017: Bioinorganic Chemistry and Applications
Yanmin Huang, Erbin Kong, Junyan Zhan, Shuang Chen, Chunfang Gan, Zhiping Liu, Liping Pang, Jianguo Cui
Using estrone and pregnenolone as starting materials, some steroidal copper complexes were synthesized by the condensation of steroidal ketones with thiosemicarbazide or diazanyl pyridine and then complexation of steroidal thiosemicarbazones or steroidal diazanyl pyridines with Cu (II). The complexes were characterized by IR, NMR, and HRMS. The synthesized compounds were screened for their cytotoxicity against HeLa, Bel-7404, and 293T cell lines in vitro. The results show that all steroidal copper (II) complexes display obvious antiproliferative activity against the tested cancer cells...
2017: Bioinorganic Chemistry and Applications
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