Bioinorganic Chemistry and Applications The latest articles from Hindawi Publishing Corporation © 2016 , Hindawi Publishing Corporation . All rights reserved. Structural and Antioxidant Properties of Compounds Obtained from Fe2+ Chelation by Juglone and Two of Its Derivatives: DFT, QTAIM, and NBO Studies Wed, 28 Sep 2016 13:19:13 +0000 The chelating ability of juglone and two of its derivatives towards Fe2+ ion and the antioxidant activity (AOA) of the resulting chelates and complexes (in the presence of H2O and CH3OH as ligands) in gas phase is reported via bond dissociation enthalpy, ionization potential, proton dissociation enthalpy, proton affinity, and electron transfer enthalpy. The DFT/B3LYP level of theory associated with the 6-31+G(d,p) and 6-31G(d) Pople-style basis sets on the atoms of the ligands and the central Fe(II), respectively, was used. Negative chelation free energies obtained revealed that juglone derivatives possessing the O-H substituent (L2) have the greatest ability to chelate Fe2+ ion. Apart from 1B, thermodynamic descriptors of the AOA showed that the direct hydrogen atom transfer is the preferred mechanism of the studied molecules. NBO analysis showed that the Fe-ligand bonds are all formed through metal to ligand charge transfer. QTAIM studies revealed that among all the Fe-ligand bonds, the O1-Fe bond of 1A is purely covalent. The aforementioned results show that the ligands can be used to fight against Fe(II) toxicity, thus preserving human health, and fight against the deterioration of industrial products. In addition, most of the complexes studied have shown a better AOA than their corresponding ligands. Aymard Didier Tamafo Fouegue, Julius Numbonui Ghogomu, Désiré Bikélé Mama, Nyiang Kennet Nkungli, and Elie Younang Copyright © 2016 Aymard Didier Tamafo Fouegue et al. All rights reserved. Polyanionic Biopolymers for the Delivery of Pt(II) Cationic Antiproliferative Complexes Wed, 28 Sep 2016 13:16:33 +0000 Phenanthriplatin, that is, (SP-4-3)-diamminechlorido(phenanthridine)platinum(II) nitrate, an effective antitumor cationic Pt(II) complex, was loaded on negatively charged dextran sulfate (DS) as a model vector for drug delivery via electrostatic interactions. The free complex and the corresponding conjugate with DS were tested on two standard human tumor cell lines, namely, ovarian A2780 and colon HCT 116, and on several malignant pleural mesothelioma cell lines (namely, epithelioid BR95, mixed/biphasic MG06, sarcomatoid MM98, and sarcomatoid cisplatin-resistant MM98R). The in vitro results suggest that the conjugate releases the active metabolite phenanthriplatin with a biphasic fashion. In these experimental conditions, the conjugate is slightly less active than free phenanthriplatin; but both exhibited antiproliferative potency higher than the reference metallodrug cisplatin and were able to overcome the acquired cisplatin chemoresistance in MM98R cells. Mauro Ravera, Elisabetta Gabano, Ilaria Zanellato, Elena Perin, Aldo Arrais, and Domenico Osella Copyright © 2016 Mauro Ravera et al. All rights reserved. Chemical Species, Micromorphology, and XRD Fingerprint Analysis of Tibetan Medicine Zuotai Containing Mercury Wed, 21 Sep 2016 09:15:57 +0000 Zuotai (gTso thal) is one of the famous drugs containing mercury in Tibetan medicine. However, little is known about the chemical substance basis of its pharmacodynamics and the intrinsic link of different samples sources so far. Given this, energy dispersive spectrometry of X-ray (EDX), scanning electron microscopy (SEM), atomic force microscopy (AFM), and powder X-ray diffraction (XRD) were used to assay the elements, micromorphology, and phase composition of nine Zuotai samples from different regions, respectively; the XRD fingerprint features of Zuotai were analyzed by multivariate statistical analysis. EDX result shows that Zuotai contains Hg, S, O, Fe, Al, Cu, and other elements. SEM and AFM observations suggest that Zuotai is a kind of ancient nanodrug. Its particles are mainly in the range of 100–800 nm, which commonly further aggregate into 1–30 μm loosely amorphous particles. XRD test shows that β-HgS, S8, and α-HgS are its main phase compositions. XRD fingerprint analysis indicates that the similarity degrees of nine samples are very high, and the results of multivariate statistical analysis are broadly consistent with sample sources. The present research has revealed the physicochemical characteristics of Zuotai, and it would play a positive role in interpreting this mysterious Tibetan drug. Cen Li, Hongxia Yang, Yuzhi Du, Yuancan Xiao, Zhandui, Sanglao, Zhang Wang, Duojie Ladan, Hongtao Bi, and Lixin Wei Copyright © 2016 Cen Li et al. All rights reserved. Novel and Complexes of Natural Product Tryptanthrin: Synthesis and Binding with G-Quadruplex DNA Tue, 06 Sep 2016 17:16:14 +0000 Tryptanthrin is one of the most important members of indoloquinoline alkaloids. We obtained this alkaloid from Isatis. Two novel and complexes of tryptanthrin were first synthesized. Single-crystal X-ray diffraction analyses show that these complexes display distorted four-coordinated tetrahedron geometry via two heterocyclic nitrogen and oxygen atoms from tryptanthrin ligand. Binding with G-quadruplex DNA properties revealed that both complexes were found to exhibit significant interaction with G-quadruplex DNA. This study may potentially serve as the basis of future rational design of metal-based drugs from natural products that target the G-quadruplex DNA. Yi-ning Zhong, Yan Zhang, Yun-qiong Gu, Shi-yun Wu, Wen-ying Shen, and Ming-xiong Tan Copyright © 2016 Yi-ning Zhong et al. All rights reserved. Effect of Ag Addition on the Electrochemical Performance of Cu10Al in Artificial Saliva Mon, 29 Aug 2016 11:52:59 +0000 In this work we proposed to evaluate the corrosion resistance of four different alloys by electrochemical techniques, a binary alloy Cu10Al, and three ternary alloys Cu10Al-Ag ( = 5, 10, and 15 wt.%) to be used like biomaterials in dental application. Biomaterials proposed were tested in artificial saliva at 37°C for 48 h. In addition, pure metals Cu, Al, Ag, and Ti as reference materials were evaluated. In general the short time tests indicated that the Ag addition increases the corrosion resistance and reduces the extent of localized attack of the binary alloy. Moreover, tests for 48 hours showed that the Ag addition increases the stability of the passive layer, thereby reducing the corrosion rate of the binary alloy. SEM analysis showed that Cu10Al alloy was preferably corroded by grain boundaries, and the Ag addition modified the form of attack of the binary alloy. Cu-rich phases reacted with SCN− anions forming a film of CuSCN, and the Ag-rich phase is prone to react with SCN− anions forming AgSCN. Thus, binary and ternary alloys are susceptible to tarnish in the presence of thiocyanate ions. R. J. Salgado-Salgado, J. Porcayo-Calderon, O. Sotelo-Mazon, R. A. Rodriguez-Diaz, G. Salinas-Solano, V. M. Salinas-Bravo, and L. Martinez-Gomez Copyright © 2016 R. J. Salgado-Salgado et al. All rights reserved. Reversible Oxygenation of 2,4-Diaminobutanoic Acid-Co(II) Complexes Thu, 25 Aug 2016 13:08:29 +0000 This paper introduces the structural characterization and studies on reversible oxygenation behavior of a new oxygen carrier Co(II)-2,4-diaminobutanoic acid (DABA) complex in aqueous solution. The composition of the oxygenated complex was determined by gas volumetric method, molar ratio method, and mass spectrometry, and the formula of the oxygenated complex was determined to be [Co(DABA)2O2]. In aqueous solution, the complex can continuously uptake and release dioxygen and exhibit excellent reversibility of oxygenation and deoxygenation ability. This complex can maintain 50% of its original oxygenation capacity after 30 cycles in 24 h and retain 5% of the original oxygenation capacity after more than 260 cycles after 72 h. When a ligand analogue was linked to histidine (His), the new complex exhibited as excellent reversible oxygenation property as His-Co(II) complex. Insight into the relationship between structural detail and oxygenation properties will provide valuable suggestion for a new family of oxygen carriers. Xiang Cheng, Yan Huang, Hui Li, Fan Yue, Hongmei Wen, and Jide Wang Copyright © 2016 Xiang Cheng et al. All rights reserved. Synthesis, Characterization, Anticancer, and Antioxidant Studies of Ru(III) Complexes of Monobasic Tridentate Schiff Bases Thu, 11 Aug 2016 13:53:37 +0000 Mononuclear Ru(III) complexes of the type [Ru(LL)Cl2(H2O)] (LL = monobasic tridentate Schiff base anion: (1Z)-N′-(2--[1-(2,4-dihydroxyphenyl)ethylidene]ethyl)-N-phenylethanimidamide [DAE], 4-[(1E)-N--[(Z)-(4-hydroxy-3-methoxybenzylidene)amino]ethanimidoyl]benzene-1,3-diol [HME], 4-[(1E)-N--[(Z)-(3,4-dimethoxybenzylidene)amino]ethanimidoyl]benzene-1,3-diol [MBE], and N-(2--[1-(2,4-dihydroxyphenyl)ethylidene]ethyl)benzenecarboximidoyl chloride [DEE]) were synthesized and characterized using the microanalytical, conductivity measurements, electronic spectra, and FTIR spectroscopy. IR spectral studies confirmed that the ligands act as tridentate chelate coordinating the metal ion through the azomethine nitrogen and phenolic oxygen atom. An octahedral geometry has been proposed for all Ru(III)-Schiff base complexes. In vitro anticancer studies of the synthesized complexes against renal cancer cells (TK-10), melanoma cancer cells (UACC-62), and breast cancer cells (MCF-7) was investigated using the Sulforhodamine B assay. [Ru(DAE)Cl2(H2O)] showed the highest activity with IC50 valves of , , and  μM against MCF-7, UACC-62, and TK-10, respectively, order of activity being TK-10 < UACC-62 < MCF-7. The antioxidant activity by DPPH and ABTS inhibition assay was also examined. Scavenging ability of the complexes on DPPH radical can be ranked in the following order: [Ru(DEE)Cl2(H2O)] > [Ru(HME)Cl2(H2O)] > [Ru(DAE)Cl2(H2O)] > [Ru(MBE)Cl2(H2O)]. Ikechukwu P. Ejidike and Peter A. Ajibade Copyright © 2016 Ikechukwu P. Ejidike and Peter A. Ajibade. All rights reserved. Effect of His-Tag on Expression, Purification, and Structure of Zinc Finger Protein, ZNF191(243-368) Wed, 20 Jul 2016 12:38:10 +0000 Zinc finger proteins are associated with hereditary diseases and cancers. To obtain an adequate amount of zinc finger proteins for studying their properties, structure, and functions, many protein expression systems are used. ZNF191(243-368) is a zinc finger protein and can be fused with His-tag to generate fusion proteins such as His6-ZNF191(243-368) and ZNF191(243-368)-His8. The purification of His-tag protein using Ni-NTA resin can overcome the difficulty of ZNF191(243-368) separation caused by inclusion body formation. The influences of His-tag on ZNF191(243-368) properties and structure were investigated using spectrographic techniques and hydrolase experiment. Our findings suggest that insertion of a His-tag at the N-terminal or C-terminal end of ZNF191(243-368) has different effects on the protein. Therefore, an expression system should be considered based on the properties and structure of the protein. Furthermore, the hydrolase activity of ZNF191(243-368)-His8 has provided new insights into the design of biological functional molecules. Dongxin Zhao and Zhongxian Huang Copyright © 2016 Dongxin Zhao and Zhongxian Huang. All rights reserved. Synthesis of Polydopamine Functionalized Reduced Graphene Oxide-Palladium Nanocomposite for Laccase Based Biosensor Tue, 05 Jul 2016 08:18:01 +0000 Graphene based 2D nanomaterials have attracted increasing attention in biosensing application due to the outstanding physicochemical properties of graphene. In this work, palladium nanoparticles (Pd) loaded reduced graphene oxide (rGO) hybrid (rGO-Pd) was synthesized through a facile method. Laccase (Lac) was immobilized on rGO-Pd by utilizing the self-polymerization of dopamine, which generated polydopamine (PDA). The PDA-Lac-rGO-Pd nanocomposites were further modified on electrode surface to construct novel biosensing platform. The obtained electrochemical biosensor was applied in the detection of catechol, achieving excellent analytic results. Under the optimum condition, this biosensor possessed a linear range from 0.1 µM to 263 µM for catechol detection, the sensitivity reached 18.4 µA mM−1, and the detection limit was as low as 0.03 µM. In addition, the biosensor also showed good repeatability, reproducibility, anti-interference, and stability. Moreover, the novel Lac based biosensor was successfully used in the trace detection of catechol existing in real water environment. Da-Wei Li, Lei Luo, Peng-Fei Lv, Qing-Qing Wang, Ke-Yu Lu, An-Fang Wei, and Qu-Fu Wei Copyright © 2016 Da-Wei Li et al. All rights reserved. A Novel Application of Ti-Substituted Polyoxometalates: Anti-Inflammatory Activity in OVA-Induced Asthma Murine Model Wed, 29 Jun 2016 13:13:07 +0000 Objective. Asthma is a chronic inflammatory disorder. Despite extensive researches into the treatment and management of it, current treatments and management strategies are still limited. The search for a novel approach to its treatments is urgently needed. Researches on the potential medical use of polyoxometalates (POMs) have already shown it has antiviral and antitumor bioactivities. But the effects of POM in immune systems are still largely unknown. Methods. In order to investigate the role of POM in the asthmatic disease, we used OVA-induced asthma murine model and observed the pathological changes between mice that received three different Ti-substituted POMs (0.3 μg per mouse per dose) when challenged with OVA. We also measured the type 2 cytokine expressions to reveal the potential mechanism. Results and Conclusions. Our results showed that two Ti-substituted POMs, K5H2[FeW11TiO40]·17H2O and K5H[H2ZnW11TiO40]·35H2O, could reduce OVA-induced lung inflammation, serum IgE level (around 2000 ng/mL to less than 1000 ng/mL), leukocytes infiltration in the lung, and cytokines levels (including IL-4, IL-5, IL-13, and TNF-α) but Ti-centered POM K4[TiW12O40]·10H2O did not. Thus, Ti-substituted POMs may have pharmaceutical values especially in treatments for asthmatic diseases. Dong Li, Xiuzhu Gao, Jingmin Gu, Yuan Tian, Yaqing Liu, Zheng Jin, Dongmei Yan, Ya-Guang Chen, and Xun Zhu Copyright © 2016 Dong Li et al. All rights reserved. Spectral Studies of UV and Solar Photocatalytic Degradation of AZO Dye and Textile Dye Effluents Using Green Synthesized Silver Nanoparticles Mon, 13 Jun 2016 08:59:26 +0000 The photocatalytic degradation of the chemical dye AZO and dye effluents in different time duration has been investigated using biologically synthesized silver nanoparticles. Dye industry effluents and AZO dye undergo degradation to form harmless intermediate and colourless products following irradiation by UV and solar light in the presence of green synthesized silver nanoparticles. The degree of degradation was tested under the experimental conditions such as , temperature, and absorbance of the dye in UV and solar light was measured. The degradation was higher in the UV light source than in the solar light source. Green synthesized silver nanoparticles in the UV light source were found to expedite the dye degradation process. R. Mariselvam, A. J. A. Ranjitsingh, P. Mosae Selvakumar, Abdullah A. Alarfaj, and Murugan A. Munusamy Copyright © 2016 R. Mariselvam et al. All rights reserved. Hair Mercury Levels Detection in Fishermen from Sicily (Italy) by ICP-MS Method after Microwave-Assisted Digestion Tue, 05 Apr 2016 09:47:45 +0000 A number of ninety-six hair samples from Sicilian fishermen were examined for total mercury detection by an Inductively Coupled Plasma Mass Spectrometry (ICP-MS) method. The mercury levels obtained were compared with mercury levels of 96 hair samples from a control group, in order to assess potential exposure to heavy metals of Sicilian fishermen due to fish consumption and closeness to industrial activities. Furthermore, the mercury levels obtained from hair samples were sorted by sampling area in order to verify the possible risks linked to the different locations. The overall mean concentration in the hair of the population of fishermen was  μg g−1, with a highest value in a fisherman of Sciacca (16.48 μg g−1). Hair mercury concentration in fishermen group was significantly higher than in control group (). There was no significant difference in hair total mercury concentrations between sampling areas (). The results of this study indicate a greater risk of exposure to mercury in Sicilian fishermen, in comparison to the control population, due to the high consumption of fish and the close relationship with sources of exposure (ports, dumps, etc.). Giuseppe Giangrosso, Gaetano Cammilleri, Andrea Macaluso, Antonio Vella, Nicolantonio D’Orazio, Stefania Graci, Gianluigi Maria Lo Dico, Fabio Galvano, Margherita Giangrosso, and Vincenzo Ferrantelli Copyright © 2016 Giuseppe Giangrosso et al. All rights reserved. Reversible Oxygenation of α-Amino Acid–Cobalt(II) Complexes Sun, 28 Feb 2016 07:53:08 +0000 We systematically investigated the reversibility, time lapse, and oxygenation-deoxygenation properties of 15 natural -amino acid–Co(II) complexes through UV-vis spectrophotometer, polarographic oxygen electrode, and DFT calculations, respectively, to explore the relationship between the coordinating structure and reversible oxygenation of -amino acid–Co(II) complexes. Results revealed that the -amino acid structure plays a key role in the reversible oxygenation properties of these complexes. The specific configuration of the -amino acid group affects the electron of Co(II) transfer to the orbit of O2; this phenomenon also favors the reversible formation and dissociation of Co–O2 bond when O2 coordinates with Co(II) complexes. Therefore, the co-coordination of amino and carboxyl groups is a determinant of Co complexes to absorb O2 reversibly. The group adjacent to the -amino acid unit evidently influences the dioxygen affinity and antioxidation ability of the complexes. The presence of amino (or imino) and hydroxy groups adjacent to the -amino acid group increases the oxygenation-deoxygenation rate and the number of reversible cycles. Our findings demonstrate a new mechanism to develop reversible oxygenation complexes and to reveal the oxygenation of oxygen carriers. Xincun Zhang, Fan Yue, Hui Li, Yan Huang, Yi Zhang, Hongmei Wen, and Jide Wang Copyright © 2016 Xincun Zhang et al. All rights reserved. Synthesis, Crystal Structure, Spectroscopic Properties, and Interaction with Ct-DNA of Zn(II) with 2-Aminoethanethiol Hydrochloride Ligand Wed, 10 Feb 2016 06:43:11 +0000 The zinc(II) complex (C2H6NS)2Zn·ZnCl2 was synthesized with 2-aminoethanethiol hydrochloride and zinc sulfate heptahydrate as the raw materials in aqueous solution. The composition and structure of the complex were characterized by elemental analysis, infrared spectra, single crystal X-ray diffraction, and thermogravimetry. The crystal structure of the zinc(II) complex belongs to monoclinic system, space group   , with cell parameters of = 0.84294(4), = 0.83920(4), = 1.65787(8) nm, , and = 2.041 g/cm3. In this paper, the interaction of complex with Ct-DNA was investigated by UV-visible and viscosimetric techniques. Upon addition of the complex, important changes were observed in the characteristic UV-Vis bands (hyperchromism) of calf thymus DNA and some changes in specific viscosity. The experimental results showed that the complex is bound to DNA intercalative (intercalation binding). Xu-gang Shu, Chun-li Wu, Cui-jin Li, Min Zhang, Ke Wan, and Xin Wu Copyright © 2016 Xu-gang Shu et al. All rights reserved. Effects of Osseointegration by Bone Morphogenetic Protein-2 on Titanium Implants In Vitro and In Vivo Mon, 08 Feb 2016 12:07:29 +0000 This study designed a biomimetic implant for reducing healing time and achieving early osseointegration to create an active surface. Bone morphogenetic protein-2 (BMP-2) is a strong regulator protein in osteogenic pathways. Due to hardly maintaining BMP-2 biological function and specificity, BMP-2 efficient delivery on implant surfaces is the main challenge for the clinic application. In this study, a novel method for synthesizing functionalized silane film for superior modification with BMP-2 on titanium surfaces is proposed. Three groups were compared with and without BMP-2 on modified titanium surfaces in vitro and in vivo: mechanical grinding; electrochemical modification through potentiostatic anodization (ECH); and sandblasting, alkali heating, and etching (SMART). Cell tests indicated that the ECH and SMART groups with BMP-2 markedly promoted D1 cell activity and differentiation compared with the groups without BMP-2. Moreover, the SMART group with a BMP-2 surface markedly promoted early alkaline phosphatase expression in the D1 cells compared with the other surface groups. Compared with these groups in vivo, SMART silaning with BMP-2 showed superior bone quality and created contact areas between implant and surrounding bones. The SMART group with BMP-2 could promote cell mineralization in vitro and osseointegration in vivo, indicating potential clinical use. Fu-Yuan Teng, Wen-Cheng Chen, Yin-Lai Wang, Chun-Cheng Hung, and Chun-Chieh Tseng Copyright © 2016 Fu-Yuan Teng et al. All rights reserved. Formation of Silver Nanoclusters from a DNA Template Containing Ag(I)-Mediated Base Pairs Thu, 04 Feb 2016 08:22:23 +0000 A series of DNA double helices containing different numbers of silver(I)-mediated base pairs involving the artificial nucleobases imidazole or 2-methylimidazole has been applied for the generation of DNA-templated silver nanoclusters. The original Ag(I)-containing nucleic acids as well as the resulting nanoclusters and nanoparticles have been characterized by means of UV/Vis spectroscopy, circular dichroism (CD) spectroscopy, fluorescence spectroscopy, and transmission electron microscopy (TEM). The results show for the first time that metal-mediated base pairs can be used for the templated growth of metal nanoclusters. J. Christian Léon, Linda Stegemann, Martin Peterlechner, Stefanie Litau, Gerhard Wilde, Cristian A. Strassert, and Jens Müller Copyright © 2016 J. Christian Léon et al. All rights reserved. Norfloxacin and N-Donor Mixed-Ligand Copper(II) Complexes: Synthesis, Albumin Interaction, and Anti-Trypanosoma cruzi Activity Tue, 26 Jan 2016 13:21:47 +0000 Copper(II) complexes with the first-generation quinolone antibacterial agent norfloxacin containing a nitrogen donor heterocyclic ligand 2,2′-bipyridine (bipy) or 1,10-phenanthroline (phen) were prepared and characterized by IR, EPR spectra, molar conductivity, and elemental analyses. The experimental data suggest that norfloxacin was coordinated to copper(II) through the carboxylato and ketone oxygen atoms. The interaction of the copper(II) complexes with bovine serum albumin (BSA) and human serum albumin (HSA) was investigated using fluorescence quenching of the tryptophan residues and copper(II) EPR spectroscopy. The results of fluorescence titration revealed that copper(II) complexes have a moderate ability to quench the intrinsic fluorescence of the albumins through a static quenching mechanism. EPR experiments showed that BSA and HSA Cu(II) sites compete with NOR for Cu(II)-bipy and Cu(II)-phen to form protein mixed-ligand complexes. Copper(II) complexes, together with the corresponding ligands, were evaluated for their trypanocidal activity in vitro against Trypanosoma cruzi, the causative agent of Chagas disease. The tests performed using bloodstream trypomastigotes showed that the Cu(II)-N-donor precursors and the metal complexes were more active than the free fluoroquinolone. Darliane A. Martins, Ligiane R. Gouvea, Gabriel S. Vignoli Muniz, Sonia R. W. Louro, Denise da Gama Jaen Batista, Maria de Nazaré C. Soeiro, and Letícia R. Teixeira Copyright © 2016 Darliane A. Martins et al. All rights reserved. Nanosilver Biocidal Properties and Their Application in Disinfection of Hatchers in Poultry Processing Plants Sun, 24 Jan 2016 12:31:55 +0000 The aim of this study was to use aqueous suspensions of silver nanoparticles with a wide spectrum of particle sizes, variable morphology, high stability, and appropriate physicochemical properties to examine their bactericidal and fungicidal properties against microorganisms present in poultry processing plants. At the same time, the particles were tested for preventing the production of odorogenous pollutants during incubation and thereby reducing the emission of harmful gases from such types of facilities. The results show that the use of nanosilver preparations in order to disinfect eggs and hatchers reduced microbiological contamination. The bactericidal and fungicidal efficacy of the applied preparation was comparable to UV radiation and its effectiveness increasing during the incubation. Good results were achieved in terms of the level of organic gaseous contaminants, which decreased by 86% after the application of the nanosilver preparation. Marcin Banach, Leszek Tymczyna, Anna Chmielowiec-Korzeniowska, and Jolanta Pulit-Prociak Copyright © 2016 Marcin Banach et al. All rights reserved. Stability Constants of Mixed Ligand Complexes of Nickel(II) with Adenine and Some Amino Acids Wed, 30 Dec 2015 14:09:23 +0000 Nickel is one of the essential trace elements found in biological systems. It is mostly found in nickel-based enzymes as an essential cofactor. It forms coordination complexes with amino acids within enzymes. Nickel is also present in nucleic acids, though its function in DNA or RNA is still not clearly understood. In this study, complex formation tendencies of Ni(II) with adenine and certain L-amino acids such as aspartic acid, glutamic acid, asparagine, leucine, phenylalanine, and tryptophan were investigated in an aqueous medium. Potentiometric equilibrium measurements showed that both binary and ternary complexes of Ni(II) form with adenine and the above-mentioned L-amino acids. Ternary complexes of Ni(II)-adenine-L-amino acids are formed by stepwise mechanisms. Relative stabilities of the ternary complexes are compared with those of the corresponding binary complexes in terms of , , and % RS values. It was shown that the most stable ternary complex is Ni(II):Ade:L-Asn while the weakest one is Ni(II):Ade:L-Phe in aqueous solution used in this research. In addition, results of this research clearly show that various binary and ternary type Ni(II) complexes are formed in different concentrations as a function of pH in aqueous solution. Naciye Türkel Copyright © 2015 Naciye Türkel. All rights reserved. Synthesis and Biological Evaluation of New Hydrazone Derivatives of Quinoline and Their Cu(II) and Zn(II) Complexes against Mycobacterium tuberculosis Wed, 25 Nov 2015 11:16:17 +0000 A new series of quinoline hydrazone derivatives and their metal complexes have been synthesized and their biological properties have been evaluated against Mycobacterium tuberculosis (H37 RV strain). Most of the newly synthesized compounds displayed 100% inhibitory activity at a concentration of 6.25–25 μg/mL, against Mycobacterium tuberculosis. Fluorescence properties of all the synthesized compounds have been studied. Mustapha C. Mandewale, Bapu Thorat, Dnyaneshwar Shelke, and Ramesh Yamgar Copyright © 2015 Mustapha C. Mandewale et al. All rights reserved. Synthesis, DFT Calculation, and Antimicrobial Studies of Novel Zn(II), Co(II), Cu(II), and Mn(II) Heteroleptic Complexes Containing Benzoylacetone and Dithiocarbamate Sun, 22 Nov 2015 06:24:11 +0000 Heteroleptic complexes of zinc(II), copper(II), manganese(II), and cobalt(II) of the types [MLL′(H2O)2]·nH2O and [MLL′]·nH2O have been synthesized using sodium N-methyl-N-phenyldithiocarbamate (L) and benzoylacetone (L′). The metal complexes were characterized by elemental analysis, electrical conductance, magnetic susceptibility, infrared (IR), and UV-visible spectroscopic studies. The electrical conductance measurements revealed the nonelectrolytic nature of the synthesized complexes. The results of the elemental analyses, magnetic susceptibility measurements, and electronic spectra inferred that the Zn(II) complex adopted a four-coordinate geometry while the Co(II), Cu(II), and Mn(II) complexes assumed octahedral geometries. The IR spectra showed that the metal ions coordinated with the ligands via the S- and O-donor atoms. The geometry, electronic, and thermodynamic parameters of the complexes were obtained from density functional theory (DFT) calculations. The spin density distributions, relative strength of H–bonds, and thermodynamic parameters revealed that the order of stability of the metal complexes is Mn < Co < Cu > Zn. The agar diffusion methods were used to study the antimicrobial activity of the complexes against two Gram positive bacteria (S. aureus and S. pneumoniae), one Gram negative bacterium (E. coli), and two fungi organisms (A. niger and A. candida) and the complexes showed a broad spectrum of activities against the microbes. Anthony C. Ekennia, Damian C. Onwudiwe, Lukman O. Olasunkanmi, Aderoju A. Osowole, and Eno E. Ebenso Copyright © 2015 Anthony C. Ekennia et al. All rights reserved. Mixed Ligand Complexes of N-Methyl-N-phenyl Dithiocarbamate: Synthesis, Characterisation, Antifungal Activity, and Solvent Extraction Studies of the Ligand Mon, 12 Oct 2015 12:44:27 +0000 A series of mixed ligand dithiocarbamate complexes with a general formula [ML2(py)2], where M = Mn(II), Co(II), Ni(II), and Cu(II), py = pyridine, and L = N-methyl-N-phenyl dithiocarbamate have been prepared and characterised by elemental analysis, FTIR and Uv spectroscopy, magnetic moment, and thermogravimetric and conductance analysis. The infrared spectra showed that symmetrical bidentate coordination occurred with the dithiocarbamate moiety through the sulfur atoms, while neutral monodentate coordination occurred through the nitrogen atom for the pyridine molecule in the complexes. The electronic spectra, elemental analysis, and magnetic moment results proved that the complexes adopted octahedral geometry. The conductance measurement showed that the complexes are nonelectrolytes proving their nonionic nature. The compounds were screened for three human pathogenic fungi: Aspergillus flavus, Aspergillus niger, and Candida albicans. The cobalt complex showed the best antifungal activity among the test compounds. Liquid-liquid extractive abilities of the ligand towards copper and nickel ions in different solvent media were investigated. The ligand showed a strong binding affinity towards the metals ions with an extractive efficiency of about 99%. Anthony C. Ekennia, Damian C. Onwudiwe, Cyril Ume, and Eno E. Ebenso Copyright © 2015 Anthony C. Ekennia et al. All rights reserved. Ferrocene-Based Bioactive Bimetallic Thiourea Complexes: Synthesis and Spectroscopic Studies Thu, 08 Oct 2015 17:03:02 +0000 Bioactive 1,1′-(4,4′-di-ferrocenyl)di-phenyl thiourea and various metal complexes of this ligand have been successfully synthesized and characterized by using physicoanalytical techniques such as FT-IR and multinuclear (1H and 13C) NMR spectroscopy along with melting point and elemental analyses. The interaction of the synthesized compounds with DNA has been investigated by using cyclic voltammetric and viscometric measurements. The intercalation of the complexes into the double helix structure of DNA is presumably occurring. Viscosity measurements of the complexes have shown that there is a change in length and this is regarded as the least ambiguous and the most critical test of the binding model in solution. The relative potential of the complexes as anti-bacterial, antifungal, and inhibition agents against the enzyme, alkaline phosphatase EC, has also been assessed and the complexes were found to be active inhibitors. Shafqat Ali, Ghulam Yasin, Zareen Zuhra, Zhanpeng Wu, Ian S. Butler, Amin Badshah, and Imtiaz ud Din Copyright © 2015 Shafqat Ali et al. All rights reserved. Synthesis and Antiproliferative Activity of Steroidal Thiosemicarbazone Platinum (Pt(II)) Complexes Thu, 08 Oct 2015 14:23:26 +0000 Steroidal compounds exhibit particular physiological activities. In this paper, some steroidal thiosemicarbazones platinum (Pt(II)) complexes were synthesized by the condensation of steroidal ketones with thiosemicarbazide using estrone, chenodeoxycholic acid, and 7-deoxycholic acid as starting materials and complexation of steroidal thiosesemicarbazones with Pt(II). The complexes were characterized by IR, NMR, and MS, and their antiproliferative activities were evaluated. The results showed that some steroidal thiosemicarbazones platinum (Pt(II)) complexes displayed moderate cytotoxicity to HeLa and Bel-7404 cells. Thereinto, complex 6 showed an excellent inhibited selectivity to HeLa cells with an IC50 value of 9.2 μM and SI value of 21.7. At the same time, all compounds were almost inactive to HEK293T (normal kidney epithelial cells). The information obtained from the studies may be useful for the design of novel chemotherapeutic drugs. Yanmin Huang, Erbin Kong, Chunfang Gan, Zhiping Liu, Qifu Lin, and Jianguo Cui Copyright © 2015 Yanmin Huang et al. All rights reserved. Recognition Code of ZNF191(243-368) and Its Interaction with DNA Sun, 20 Sep 2015 12:19:59 +0000 ZNF191(243-368) is the C-terminal region of ZNF191 which contains a putative DNA-binding domain of four Cys2His2 zinc finger motifs. In this study, an expression vector of a fusion protein of ZNF191(243-368) with glutathione-S-transferase (GST) was constructed and transformed into Escherichia coli BL21. The fusion protein GST-ZNF191(243-368) was expressed using this vector to investigate the protein-DNA binding reaction through an affinity selection strategy on the basis of the binding quality of the zinc finger domain. Results showed that ZNF191(243-368) can selectively bind with sequences and react with genes which contain an AGGG core. However, the recognition mechanism of Cys2His2 zinc finger proteins to DNA warrants further investigation. Dongxin Zhao and Zhongxian Huang Copyright © 2015 Dongxin Zhao and Zhongxian Huang. All rights reserved. Construction of Zinc Oxide into Different Morphological Structures to Be Utilized as Antimicrobial Agent against Multidrug Resistant Bacteria Wed, 16 Sep 2015 07:09:24 +0000 Nano-ZnO has been successfully implemented in particles, rods, and tubes nanostructures via sol-gel and hydrothermal techniques. The variation of the different preparation parameters such as reaction temperature, time, and stabilizer agents was optimized to attain different morphological structures. The influence of the microwave annealing process on ZnO crystallinity, surface area, and morphological structure was monitored using XRD, BET, and SEM techniques, respectively. The antimicrobial activity of zinc oxide produced in nanotubes structure was examined against four different multidrug resistant bacteria: Gram-positive (Staphylococcus aureus and Bacillus subtilis) and Gram-negative (Escherichia coli and Pseudomonas aeruginosa) strains. The activity of produced nano-ZnO was determined by disc diffusion technique and the results revealed that ZnO nanotubes recorded high activity against the studied strains due to their high surface area equivalent to 17.8 m2/g. The minimum inhibitory concentration (MIC) of ZnO nanotubes showed that the low concentrations of ZnO nanotubes could be a substitution for the commercial antibiotics when approached in suitable formula. Although the annealing process of ZnO improves the degree of material crystallinity, however, it declines its surface area and consequently its antimicrobial activity. M. F. Elkady, H. Shokry Hassan, Elsayed E. Hafez, and Ahmed Fouad Copyright © 2015 M. F. Elkady et al. All rights reserved. Total Antioxidant Capacity of Serum Determined Using the Potassium Permanganate Agar Method Based on Serum Diffusion in Agar Tue, 11 Aug 2015 06:46:46 +0000 Objectives. To develop a new method for determining total antioxidants in serum and to evaluate the total antioxidant capacity of organisms. Design and Methods. Sodium hyposulfite (Na2S2O3) and serum were used to evaluate the linearity and precision of the potassium permanganate agar method. The area of serum diffusion in samples from 30 intensive care unit (ICU) patients compared with 44 healthy subjects was determined by the potassium permanganate agar method. Results. The linearity ( in the linear experiment of Na2S2O3 was 0.994; in the linear experiment of serum was 0.987) and precision (coefficient of variation of area of high level serum diffusion within-run, between-run, and between-day and coefficient of variation of area of low serum diffusion within-run, between-run, and between-day were all less than 10%) were acceptable using the potassium permanganate agar method. Total antioxidants of serum between the ICU group and the healthy group were different (, two tailed). Conclusions. Total antioxidants in serum can be determined by the potassium permanganate agar method. The total antioxidant capacity of an organism can be evaluated by the amount of total antioxidants in serum. Ying Zhou, Meijuan Zhang, and Hui Liu Copyright © 2015 Ying Zhou et al. All rights reserved. Gadolinium(III) Complexes with N-Alkyl-N-methylglucamine Surfactants Incorporated into Liposomes as Potential MRI Contrast Agents Mon, 10 Aug 2015 07:43:08 +0000 Complexes of gadolinium(III) with N-octanoyl-N-methylglucamine (L8) and N-decanoyl-N-methylglucamine (L10) with 1 : 2 stoichiometry were synthesized and characterized by elemental analysis, electrospray ionization-tandem mass spectrometry (ESI-MS), infrared (IR) spectroscopy, and molar conductivity measurements. The transverse () and longitudinal () relaxivity protons were measured at 20 MHz and compared with those of the commercial contrasts. These complexes were incorporated in liposomes, resulting in the increase of the vesicle zeta potential. Both the free and liposome-incorporated gadolinium complexes showed high relaxation effectiveness, compared to commercial contrast agent gadopentetate dimeglumine (Magnevist). The high relaxivity of these complexes was attributed to the molecular rotation that occurs more slowly, because of the elevated molecular weight and incorporation in liposomes. The results establish that these paramagnetic complexes are highly potent contrast agents, making them excellent candidates for various applications in molecular MR imaging. Simone Rodrigues Silva, Érica Correia Duarte, Guilherme Santos Ramos, Flávio Vinícius Crizóstomo Kock, Fabiana Diuk Andrade, Frédéric Frézard, Luiz Alberto Colnago, and Cynthia Demicheli Copyright © 2015 Simone Rodrigues Silva et al. All rights reserved. Synthesis and Characterization with Antineoplastic, Biochemical, Cytotoxic, and Antimicrobial Studies of Schiff Base Cu(II) Ion Complexes Wed, 29 Jul 2015 08:20:03 +0000 Copper(II) complexes containing two Schiff base ligands derived from 2-hydroxybenzaldehyde with 2-aminophenol and 3-aminophenol have been synthesized and characterized by means of analytical, magnetic, and spectroscopic methods. Bacteria, fungus, Entamoeba histolytica, and antineoplastic activities of the synthesized complexes have been determined by monitoring the parameters cell growth inhibition, survival time of tumour mice, time-body relation, causing of intraperitoneal cells and macrophages, alkaline phosphatase activity, hematological effect, and biopsy of tumour. M. M. Haque, Md. Kudrat-E-Zahan, Laila Arjuman Banu, Md. Shariful Islam, and M. S. Islam Copyright © 2015 M. M. Haque et al. All rights reserved. Tolerance of Chemoorganotrophic Bioleaching Microorganisms to Heavy Metal and Alkaline Stresses Mon, 06 Jul 2015 07:08:50 +0000 The bioleaching potential of the bacterium Bacillus mucilaginosus and the fungus Aspergillus niger towards industrial residues was investigated by assessing their response towards various heavy metals (including arsenic, cadmium, cobalt, chromium, nickel, lead, and zinc) and elevated pH. The plate diffusion method was performed for each metal to determine the toxicity effect. Liquid batch cultures were set up for more quantitative evaluation as well as for studying the influence of basicity. Growth curves were prepared using bacterial/fungal growth counting techniques such as plate counting, optical density measurement, and dry biomass determination. Cadmium, nickel, and arsenite had a negative influence on the growth of B. mucilaginosus, whereas A. niger was sensitive to cadmium and arsenate. However, it was shown that growth recovered when microorganisms cultured in the presence of these metals were inoculated onto metal-free medium. Based on the findings of the bacteriostatic/fungistatic effect of the metals and the adaptability of the microorganisms to fairly elevated pH values, it is concluded that both strains have potential applicability for further research concerning bioleaching of alkaline waste materials. Annick Monballiu, Nele Cardon, Minh Tri Nguyen, Christel Cornelly, Boudewijn Meesschaert, and Yi Wai Chiang Copyright © 2015 Annick Monballiu et al. All rights reserved.