Preparations and Spectroscopic Studies on the Three New Strontium(Ⅱ), Barium(Ⅱ), and Lead(Ⅱ) Carbocysteine Complexes

Carbocisteine, also known as carbocysteine, is a mucolytic that reduces the viscosity of sputum and thus can be used to help relieve symptoms of chronic obstructive pulmonary disorder and bronchiectasis by allowing the sufferer to expel sputum more easily. A total of three new metal complexes of carbocysteine, HCcy with the metal ions Sr(Ⅱ), Ba(Ⅱ), and Pb(Ⅱ) have been successfully prepared in alkaline medium in situ H₂O/CH₃OH (50/50 w/w). The complexes obtained are characterized quantitatively and qualitatively by using micro elemental analysis, FTIR spectroscopy, UV-Vis spectroscopy, X-ray powder diffraction spectroscopy, 1H-NMR, and conductivity measurements. From the spectral study, all the synthesized Ccy complexes obtained as monomeric structure and the metals center moieties are six-coordinated except lead(Ⅱ) complex which existed as a four-coordinated respectively, suggesting formulas [Sr(Ccy)(H₂O)₂], [Ba(Ccy)(H₂O)₂] and [Pb(Ccy)] in neutral form. Beside, regarding both Sr(Ⅱ) and Ba(Ⅱ) complexes, the aquo groups are existed inside the coordination sphere. The infrared assignments reveal that HCcy ligand act as a bidentate ligand with the metal ions through oxygens of the deprotonated carboxylic COOH group. The 1H-NMR spectrum of the [Ba(Ccy)(H₂O)₂] complex has an absent of the proton of -COOH groups upon the deprotonated of carboxylic group.     

Synthesis,Structural,Spectroscopic Characterization and Biological Properties of the Zn(Ⅱ),Cu(Ⅱ),Ni(Ⅱ),Co(Ⅱ),and Mn(Ⅱ) Complexes With the Widely Used Herbicide 2,4-Dichlorophenoxyacetic Acid

2,4-Dichlorophenoxyacetic acid (2,4-D) is a board-leaf selective herbicide and globally used in agricultural activities. Complexation mode, spectroscopic investigations and biological properties of complexes formed between 2,4-D (C₆H₃Cl₂OCH₂·COOH; HL) with Zn(Ⅱ), Cu(Ⅱ), Ni(Ⅱ), Co(Ⅱ), and Mn(Ⅱ) metal ions were investigated. To characterize the binding mode between 2,4-D and the metal ions, many physicochemical approaches were employed. The complexes obtained are characterized quantitatively and qualitatively by using micro elemental analysis, FTIR spectroscopy, UV-Vis spectroscopy, 1H-NMR, and magnetic susceptibility measurements. Results of these approaches suggested that the gross formula of the complexes obtained with the metal ions were [ZnL₂](2H₂O (1), [CuL₂(H₂O)₂] (2), [NiL₂](3H₂O (3), [CoL₂(H₂O)₂] (4), and [MnL₂(H₂O)₂] (5). In all complexes, two L- anion were coordinated the metal ion by their bidentate carboxylate groups. From the spectral study, all the complexes obtained as monomeric structure and the metals center moieties are six-coordinated with octahedral geometry except Ni(Ⅱ) and Zn(Ⅱ) complexes which existed as a tetrahedral and square pyramidal geometry respectively. The complexes were screened in vitro against several microbes (fungi and bacteria) using Kirby-Bauer disc diffusion method, and data has demonstrated that complex 3 showed excellent antifungal activity.     

Spectroscopic Characterizations of Metal-Complexes of 4-Hydroxybenzoic Acid With the Ni(Ⅱ), Mn(Ⅱ), and Cu(Ⅱ) Ions

One of the phenolic acids is 4-hydroxybenzoic acid (HBA) which takes the form of a white crystalline solid with a molecular formula of C₇H₆O₃, a melting point of 214.5 ℃ and a molecular weight of 138.12 g·mol-1. It soluble in polar organic solvents like acetone and alcohols, and slightly soluble in chloroform and water. The reactions between the metal ions and the HBA were carried out under specific conditions like (molar reaction was 2∶2 (ligand to metal), reaction temperature was 60 ℃, media was neutral (pH 7), and solvent was H₂O ∶MeOH (1∶1). Under these conditions, the HBA was deprotonated to form (HOC₆H₄CO-₂; L-). The ligand L- was coordinated to the metal ions forming the metal complexation. The reaction of 4-hydroxybenzoic acid (HOC₆H₄CO₂H; HL) with the Ni(Ⅱ), Mn(Ⅱ) and Cu(Ⅱ) ions afford metal-complexes with gross formula of [Ni₂L₂(NO₃)₂(H₂O)₄], [Mn₂L₂(NO₃)₂(H₂O)₄] and [Cu₂L₂(NO₃)₂(H₂O)₄], respectively. These complexes were characterized by elemental analysis (CHN), magnetic susceptibility, UV-Vis spectra, infrared (IR), and X-ray powder diffraction (XRD) techniques. The complexes of HBA are insoluble in common solvents and hence molar conductance could not be measured, but this very insolubility indicates that the complexes are neutral. Data has demonstrated that the ligand (L-) was coordinated to the metal ion by bidentate bridging carboxylate group (COO-), with an octahedral geometry. Thus, HBA is expected to act as bidentate uninegative ions and the coordination number of the metal ions is six. XRD results showed that the complexes possess uniform and organized microstructures in the nanometer range with a main diameter in the range of 11～28 nm.     

Synthesis,Spectroscopic Characterization and Thermogravimetric Analysis of Cr(Ⅱ), Cu(Ⅱ), Zn(Ⅱ) and Mg(Ⅱ),Captopril Coordination Compounds

In this work,we have reported the synthesis and spectroscopic characterization of captopril(Cap)coordination compounds:Cu(Cap)·2H 2O,Cr(Cap)·H 2O,Zn(Cap)·3H 2O and Mg(Cap)4.Herein,it is worthily mentioned that the FTIR spectroscopic technique was employed to recognized the nature of coordination between captopril ligand and copper,chromium,zinc and magnesium(Ⅱ)metal ions.In view of the infrared spectroscopic tool,the copper(Ⅱ)metal ion coordinated toward captopril drug ligand through sulfur atom of SH group dependent on the absent of stretching vibration band of—SH.Based on this result,the stretching motion ofνa(COO)shifts clearly indicates that Cu 2+,Cr 2+,Zn 2+and Mg 2+the carboxylic group is employed as coordinative site for all compounds as a metal-ligand coordinative bond.As a general behavior,it is verified that the coordination compound thermal stability(considering the release of captopril molecules,not the release of water molecules)is affected by the metal cation radius:minor radius is associated with higher thermal stability,probably due to a higher metal-captopril bond dissociation enthalpy.     

Synthesis and Spectroscopic Characterizations of New Mercury(Ⅱ), Cerium(Ⅲ), and Thorium(Ⅳ) Captopril Drug Complexes

In this article, three types of metal ions with different oxidation state as mercury(Ⅱ), cerium(Ⅲ) thorium(Ⅳ) have been reacted with captopril drug(CAP). The isolated solid complexes were explained using elemental analysis, conductance measurements, infrared and ~1H-NMR spectroscopy as well as the thermo gravimetric(TG/DTG) analysis. The micro analytical and spectroscopic results for all CAP complexes were agreement with the speculated structures. The stoichiometry for divalent Hg~(2+), trivalent Ce~(3+) and tetravalent Th~(4+) metal ions with CAP ligand was established with 1∶2(M~(n+):CAP) molar ratio. The qualitative analysis showed that in case of the mercury(Ⅱ) complex, the chloride ions didn't involved in the complexity, suggesting formula [Hg(CAP)_2] in neutral form. However, regarding both Ce(Ⅲ) and Th(Ⅳ) complexes as [Ce(CAP)_2(NO_3)]·3 H_2O and [Th(CAP)_2(NO_3)_2(H_2O)]·3 H_2O formulas, the nitrate group is existed inside the coordination sphere. The infrared analysis data proved that CAP drug act as a bidentate ligand with the metal ions of Ce(Ⅲ) and Th(Ⅳ) through oxygen carbonyl group ■ and oxygen of the deprotonated carboxylic COOH group, while for the Hg(Ⅱ) complex, the CAP acts as a bidentate ligand through oxygen of ■ group and sulfur atom of the deprotonated —SH group. Thorium(Ⅵ) complex has a nine-coordinate geometry, while Hg(Ⅱ) and Ce(Ⅲ) have a four and six-coordination behaviors respectively. The ~1H-NMR data of the CAP compound has a singlet sharp signal at 1.90 ppm due to the proton of —SH group, this peak absent in the spectrum of the Hg(Ⅱ) CAP complex upon the deprotonated of thiol group.     

Synthesis and Spectroscopic Characterizations on the Complexation of Three Different Metal Ions Ba(Ⅱ), Ni(Ⅱ), and Ce(Ⅲ) with Atenolol Drug Chelate

Three types of metal ions barium(Ⅱ), nickel(Ⅱ) and cerium(Ⅲ) complexity of ATN drug have been prepared and characterized using molar conductance method, FT-IR, electronic, and ~1H-NMR analysis measurements. The chemical and physical results for all atenolol complexes are agreement with the speculated structures. For the divalent(Ba Ni) and trivalent(Ce) metal atenolol a molar ratio 1∶2 was established. Qualitative chemical analysis showed that for the divalent metal complexes, the chloride ions are not involved in the complexes, suggesting that all of these complexes, [Ba(ATN)_2]·2 H_2O and [Ni(ATN)_2(H_2O)_2]·4 H_2O are neutral. However, for the cerium(Ⅲ) complex, [Ce(ATN)_2(NO_3)]·3 H_2O, the nitrate group is existed inside the coordination sphere. ATN make astable metal complexity with barium(Ⅱ), nickel(Ⅱ) and cerium(Ⅲ) ions. Electronic absorption analysis of Atenolol give two fundamental peaks at 225 nm and 274 nm refers to variation in transition electrons of ligand, UV spectral analysis of the three complexity obtained give asymmetric broad band in the range 200～400 nm, the reults are convenient with the suggestion of metal-nitrogen and metal-oxygen bonds. The infrared analysis data proved that ATN act as bidentate ligand through the N atom of the —NH group and O atom of the deprotonated alcoholic OH group. Nickel(Ⅱ) and cerium(Ⅲ) complexity make six-coordinate geometry, whereas the barium(Ⅱ) complex exhibit four-coordinate geometry. Ni(Ⅱ)-ATN complex has an effective magnetic moment equal 3.12 B.M, that is assigned to octahedral structure. The ~1H-NMR spectral results of Ba(Ⅱ)-ATN complexity give strong signal at ～4.00 ppm due to protons of —CH_2 that influenced by low degree due to complexity. These results confirm the position of chelation through the N atom of the —NH group and O atom of the deprotonated alcoholic OH group.     

B→πη('), η(')η(') decays and NLO contributions in the pQCD approach

By employing the perturbative QCD (pQCD) factorization approach, we calculate the full leading and the partial next-to-leading order (NLO) contributions to the seven B→πη(') and η(')η(') decays. For B+B→π+η(') decays, the pQCD predictions for their decay rates agree very well with the data after the inclusion of the small NLO contributions. For neutral decays, the pQCD predictions are also consistent with the experimental upper limits and can be tested by the LHC experiments. The measured value of ACPdir(π±η)=-19±7% can also be accommodated by the pQCD approach.     

Excitation of isomeric states in the (γ,n), (n, 2n), and (γ, 2n) reactions on the 113In nucleus

The induced-activity method was used to measure the isomeric ratio of the yields of the (γ, n), (n, 2n), and (γ, 2n) reactions on the ¹¹³In nucleus. The energy dependence of the isomeric ratios of the yields of the photonuclear reactions ¹¹³In(γ, n)^112m,g In and ¹¹³In(γ, 2n)^111m,g In is studied in the energy range of 12–35 MeV.     

Synthesis and Spectroscopic Investigations of Four New Y(Ⅲ), Ge(Ⅳ), W(Ⅵ) and Si(Ⅳ) Penicillin Antibiotic Drug Complexes

A four new penicillinate complexes were prepared through the chemical interactions of penicillin potassium salt (Pin) with YCl₃, GeCl₄, WCl₆ and SiCl₄ metal ions. These metal complexes were characterized using spectroscopic techniques (e.g. 1H-NMR, infrared, electronic UV-Vis) as well as elemental, conductivity, and magnetic measurements. The molar conductance values were highly, showing their electrolytic nature. The magnetic and electronic study strongly recommends the octahedral geometry of all penicillinate complexes. A monomeric structures of Pin complexes are proposed with octahedral coordinated metals ions. The metal ions are coordinated toward Pin as tridentate ligand through the amide and β-lactam carbonyls and a carboxylate group from penicillin. The in vitro antimicrobial activity of all the complexes, at concentrations in μg·mL-1, was screened against four bacterial pathogens, namely, Bacillus subtilis, Escherichia coli, Pseudomonas aeruginosa, and Staphylococcus aureus, and two kinds of fungi Aspergillus flavus and Candida albicans showed better activity compared to parent drug and control drug. The anti-cancer inhibition of the tungsten(Ⅵ) complex was assessed against the human hepato cellular carcinoma (HepG-2) tumor cell line with IC50 value is 646 μg·mL-1.     

Radiative decays of scalar mesons σ(600), f 0(980) and a 0(980) in the local Nambu-Jona-Lasinio model

The two-photon decay widths of scalar mesons σ(600), f ₀(980) and a ₀(980) as well a ₀ → ju(ω)γ and f ₀ → ju(ω)γ are calculated in the framework of the local Nambu-Jona-Lasinio model. The contributions of the quark loops (Hartree-Fock approximation) and the meson loops (next 1/N _c -approximation where N _c is the number of colors) are taken into account. The values of these contributions, as we show, are of the same order of magnitude. For the f ₀ decay the K-loop contribution plays the dominant role. The results for two-gamma decays are in satisfactory agreement with modern experimental data. The predictions for a ₀ → ju(ω)γ and f ₀ → ju(ω)γ widths are given.     

Interpretation of Z_b(10610)and Z_b(10650)in the ISPE mechanism and the Charmonium Counterpart~

The initial single pion emission(ISPE) mechanism is applied to the processes γ(55)→πB~((*))B~((*)),whose details have been recently reported at ICHEP2012,and we obtain reasonable agreement with Bell's measurements;that is,we succeed in reproducing the enhancement structures of Zb(10610) and Zb(10650).Inspired by this success,we also predict the corresponding enhancement structures in open charm one-pion decays of higher charmonia near the thresholds of D*D and D*D*.     

Synthesis and Spectral Studies of Novel Co(II), Ni(II), Cu(II), Cd(II), and Fe(II) Metal Complexes with N-[5′-Amino-2,2′-bis(1,3,4-thiadiazole)-5-yl]-2-hydroxybenzaldehyde Imine (HL)

Co(II), Ni(II), Cu(II), Cd(II), and Fe(II) complexes with Schiff base derived from 2-amino-5-(2-amino-1,3,4-thiadiazolyl)-1,3,4-thiadiazole (1) and salicylaldehyde have been prepared. The ligand and its complexes have been characterized by IR, ¹H NMR spectra, elemental analyses, magnetic susceptibility, UV-Vis. and thermogravimetry–differential thermal analysis (TGA-DTA). The analytical data show 1:2 metal-to-ligand ratio for Co(II), Ni(II), Cd(II), and Fe(II) and 2:2 metal-to-ligand ratio for Cu(II) complexes. The suggested structures for the N-[5′-Amino-2,2′-bis(1,3,4-thiadiazole)-5-yl]-2-hydroxybenzaldehyde Imine (HL) complexes of Fe(II), Co(II), and Cd(II) are octahedral, for the Ni(II) complex is tetrahedral, and for the Cu(II) complex is square-planar     

On the scaling factors α(z) and δ(z)

We introduce a new method to determine the scaling factors α(z) and δ(z) for the period-doubling route to chaos in dissipative systems, exemplified by the one-dimensional mapping x_n+1=1−λ∣x_n∣^z. With the help of the Feigenbaum universal functions g(x) and h(x) we derive the inequality α^z−α<δ(z)<α^z, implying in particular that δ(z) remains finite (≲30) in the limit z → ∞.     

Bosonization and the O(3) σ-model

The rules of vector bosonization with respect to the O(4) σ-model with a Wess—Zumino term, and the O(3) σ-model with an instanton term are derived. The critical points at which the theories become conformally invariant are found.     

On the calculation of λ∞, g(0), and α for one-dimensional mappings

We introduce a simple method of calculating λ_∞, g(0), and α for one-dimensional iterations, which requires the solution of one algebraic equation at each order of approximation.     

The isomeric ratios in some photonuclear reactions (γ, n), (γ, p), (γ, 2n), and (γ, np) induced by bremsstrahlungs with end-point energies in the Giant Dipole Resonance region

We have determined the isomeric ratios in photonuclear reactions ¹¹⁶Cd(γ, n)^{115m, g} Cd, ¹³⁸Ce(γ, n)^{137m, g} Ce, ¹⁵³Eu(γ, n)^{152m, g} Eu, ⁹⁶Mo(γ, p)^{95m, g} Nb, ¹¹⁸Sn(γ, p)^{117m, g} In, ⁸⁹Y(γ, 2n)^{87m, g} Y, ¹⁰⁶Cd(γ, np)^{104m, g} Ag, and ¹¹²Sn(γ, np)^{110m, g} In induced by bremsstrahlungs with end-point energies in the Giant Dipole Resonance (GDR) region. The targets were irradiated at electron accelerator Microtron MT-25 of the Flerov Laboratory of Nuclear Reactions, Joint Institute for Nuclear Research, Dubna. Gamma spectra of irradiated samples were measured with a spectroscopic system consisting of 8192-channel analyzer and high-energy resolution (180 keV at gamma ray 1332 keV of ⁶⁰Co) semiconductor detector CANBERRA. The results were discussed and compared with those of other authors. The article is published in the original.     

New data on (γ, n), (γ, 2n), and (γ, 3n) partial photoneutron reactions

Systematic discrepancies between the results of various experiments devoted to determining cross sections for total and partial photoneutron reactions are analyzed by using objective criteria of reliability of data in terms of the transitional photoneutron-multiplicity function F _i = σ(γ, in)/σ(γ, xn), whose values for i = 1, 2, 3, ... cannot exceed by definition 1.00, 0.50, 0.33, ..., respectively. It was found that the majority of experimental data on the cross sections obtained for (γ, n), (γ, 2n), and (γ, 3n) reactions with the aid of methods of photoneutron multiplicity sorting do not meet objective criteria (in particular, F ₂ > 0.50 for a vast body of data). New data on the cross sections for partial reactions on ¹⁸¹Ta and ²⁰⁸Pb nuclei were obtained within a new experimental-theoretical method that was proposed for the evaluation of cross sections for partial reactions and in which the experimental neutron yield cross section σ ^expt(γ, xn) = σ(γ, n) + 2σ(γ, 2n) + 3σ(γ, 3n) + ..., which is free from problems associated with determining neutron multiplicities, is used simultaneously with the functions F _i ^theor calculated within a combined model of photonuclear reactions.     

N-Chlorosuccinimide (NCS)–N,N-dimethylformamide (DMF), a reagent for the oxidation of benzylic alcohols to aldehydes and ketones

Molecular Diversity - The oxidation of benzylic alcohol to corresponding aldehyde and ketone using N-chlorosuccinimide (NCS)–N,N-dimethylformamide (DMF) has been described. This method gives...