Synthesis,characterization and biological activities of organotin(IV) complexes with l-lysine monohydrate

Russian Journal of General Chemistry - The new organotin(IV) complexes have been synthesized by the reaction of l-lysine monohydrate with CS2 and R2SnCl2/R3SnCl. The organotin(IV) complexes and the...     

In vitro anti-oxidant potential of new metabolites from Hypericum oblongifolium (Guttiferae)

Phytochemical investigations on Hypericum oblongifolium led to the isolation of a flavone named folicitin (1) and a bicyclic conjugated lactone, folenolide (2) from the ethyl acetate fraction of methanolic extract. Both metabolites were characterised as new compounds based on detailed spectroscopic analyses. In vitro anti-oxidant potential of both the compounds was evaluated by the DPPH radical scavenging assay. Compound 1 exhibited significant antioxidant activity while compound 2 was found inactive.     

Stereoselective interactions of chiral dipeptides on amylose based chiral stationary phases

Dipeptides are stereo-specifically involved in several biological functions that are challenging to separate enantiomerically. Elution order of enantiomers is an important issue in chiral chromatography. Amylose tris-(3,5-dimethylphenylcarbamate) chiral stationary phase(CSP) is the best and most-widely-used CSP in chiral separations, but experimental data of enantiomeric separation of dipeptides on this CSP is lacking. Simulation studies were conducted to determine the order of elution and the chiral recognition mechanism of didpetides on this CSP. Results indicated that the docking energy of SR-enantiomers were higher than SS-antipodes. The range of docking energies for SR-enantiomers was -7.44 to -5.92 kcal/mol with CSP, but -7.15 to -5.87 kcal/mol for SS-stereoisomers. Therefore it is predicted that SS-enantiomer will elute first, followed by SR-antipode. Furthermore, hydrogen bondings, van der Waal’s interactions and electrostatic interactions were observed among SR- and SSenantiomers and chiral grooves of CSP. The number of hydrogen bonds was one in each enantiomer binding except S-Ala-R-Tyr, which contained two hydrogen bonds. No hydrogen bond was found in S-Ala-R-Trp, S-Leu-S-Trp, and S-Leu-S-Tyr dipeptides bindings. The chiral recognition mechanisms dictate different strengths of stereoselective bindings of the enantiomers on CSP.     

Synthesis,Spectroscopy, Semi‐empirical and Biological Activities of Organotin(IV) Complexes with o‐Isopropyl Carbonodithioic Acid

New organotin(IV) complexes have been synthesized by treating potassium o‐isopropyl carbonodithioate with R₂SnCl₂/R₃SnCl in 1 : 2/1 : 1 M/L ratio. All complexes have been characterized by IR and NMR (¹H, ¹³C) spectroscopy. IR results shows that ligand acts as bidentate which is also confirmed by semi‐empirical study. NMR data reveals four coordinated geometry in solution. Computed positive heat of formation shows that complex 5 is thermodynamically unstable. UV/visible spectroscopy was used to assess the mode of interaction and binding of the complexes with DNA which shows that complex 5 exhibits higher binding constant as compared to complex 3 . In protein kinase inhibition assay, compound 3 was found most active, while other biological activities shows that triorganotin(IV) complexes are biologically more active as compared to diorganotin(IV) complexes.     

Diorganotin(IV) Complexes with Monohydrate Disodium Salt of Iminodiacetic Acid: Synthesis,Characterization, Crystal Structure and Biological Activities

Diorganotin(IV) derivatives have been synthesized by the reaction of R₂SnL₂ (R=n‐Bu 1 , Ph 2 ) with monohydrate disodium salt of iminodiacetic acid ( Na₂L ) in 1 : 1 M/L ratio under reflux conditions. The compounds have been characterized by FT‐IR, NMR (¹H and ¹³C) spectoscopy, electron ionization mass spectrometry (EIMS), thermogravimetric analyses (TGA) and single crystal XRD. FTIR data indicates a mono‐dentate binding mode of the carboxylic acid group as well as participation of the amino nitrogen and aqua oxygen in coordination with organotin(IV) moieties. NMR data demonstrates a tetra‐coordinated environment around tin(IV) in solution. Mass spectrometric and thermogravimetric analyses verify the close similarities between the molecular structures of both complexes. The thermal stability of diphenyltin(IV) derivative ( 2 ) was found slightly higher than that of the free ligand ( Na₂L ). Single crystal X‐ray analysis of the complex 1 have shown a hexa‐coordinated geometry around Sn(IV) with trans configuration. There are evidences for the existence of intermolecular hydrogen bonding in the structure of the complexes. The products displayed significant antibacterial and antifungal activities in contrast to the biologically inactive ligand precursor. However, the hemolytic cytoxicity of the complexes was comparatively high than the free ligand.     

Bacilli as Biological Nano-factories Intended for Synthesis of Silver Nanoparticles and Its Application in Human Welfare

The search of eco-friendly technologies for nano-synthesis is significant to expand their applications in human welfare. Nowadays, various inorganic nanoparticles with beneficial features have been synthesized via physical, chemical, and biological means. Significant biological applications of silver nanoparticles include on-infectious microbes, target drug delivery, cancer and vector-borne disease control. Their syntheses have been tested from plant fungi, bacteria, and viruses. The bacterial mediated synthesis of silver, gold, zinc and other metal leads to a milestone in nano-medicines. Thus, in this review, we focus on the contribution of Bacilli in the synthesis of silver nanoparticles, the mechanism of action and their potential application in the welfare of human beings.     

Computing topological indices of Sudoku graphs

In QSAR/QSPR study, physico-chemical properties and topological indices such as Randi?, atom-bond connectivity (ABC) and geometric-arithmetic (GA) index are used to predict the bioactivity of chemical compounds. A topological index is actually designed by transforming a chemical structure into a numeric number. These topological indices correlate certain physico-chemical properties like boiling point, stability, strain energy etc. of chemical compounds. Graph theory has found a considerable use in this area of research. The topological indices of certain interconnection networks were studied recently by Imran et al. (Appl Math Comput 244:936–951, 2014). In this paper, we extend this study to \(n\times n\) Sudoku graphs and derive analytical closed results of general Randi? index \(R_{\alpha }(G)\) for different values of “\(\alpha \)” for Sudoku (SK). We also compute the general Randi?, first Zagreb, ABC, GA, \(ABC_{4}\) and \(GA_{5}\) indices and give closed formulae of these indices for Sudoku graphs.     

Highly stable cooperative distortion in a weak Jahn-Teller d2 cation: perovskite-type ScVO3 obtained by high-pressure and high-temperature transformation from bixbyite

A novel ScVO(3) perovskite phase has been synthesized at 8 GPa and 1073 K from the cation-disordered bixbyite-type ScVO(3). The new perovskite has orthorhombic symmetry at room temperature, space group Pnma, and lattice parameters a = 5.4006(2) ?, b = 7.5011(2) ?, and c = 5.0706(1) ? with Sc(3+) and V(3+) ions fully ordered on the A and B sites of the perovskite cell. The vanadium oxygen octahedra [V-O(6)] display cooperative Jahn-Teller (JT) type distortions, with predominance of the tetragonal Q(3) over the orthorhombic Q(2) JT modes. The orthorhombic perovskite shows Arrhenius-type electrical conductivity and undergoes a transition to triclinic symmetry space group P-1 close to 90 K. Below 60 K, the magnetic moments of the 4 nonequivalent vanadium ions undergo magnetic long-range ordering, resulting in a magnetic superstructure of the perovskite cell with propagation vector (0.5, 0, 0.5). The magnetic moments are confined to the xz plane and establish a close to zigzag antiferromagnetic mode.     

Simultaneous determination of perfluoroalkyl phosphonates, carboxylates, and sulfonates in drinking water

A trace analytical method based on high performance liquid chromatography coupled to quadrupole time-of-flight high resolution mass spectrometry was developed for simultaneous determination of perfluoroalkyl phosphonates (PFPAs, carbon chain lengths C6,8,10), perfluoroalkyl carboxylates (PFCAs, C5-12), and perfluoroalkyl sulfonates (PFSAs, C4,6,8,10) in drinking water (tap water). Analytes were enriched on a mixed mode co-polymeric sorbent (C8+quaternary amine) using solid phase extraction. Chromatographic separation was achieved on a Zorbax Extend C18 reversed phase column using a mobile phase gradient consisting of water, methanol, and acetonitrile containing 2mM ammonium acetate and 5 mM 1-methyl piperidine. The mass spectrometer was operated in electrospray negative ion mode. Use of 1-methyl piperidine in the mobile phase resulted in a significant increase in instrument sensitivity for PFPAs through improved chromatographic resolution, background suppression, and increased ionization efficiency. Method detection limits for extraction of 500 mL tap water were in the ranges of 0.095-0.17 ng/L, 0.027-0.17 ng/L, and 0.014-0.052 ng/L for PFPAs, PFCAs, and PFSAs, respectively. Whole method recoveries at a spiking level of 0.5 ng/L to 500 mL HPLC grade water were 40-56%, 56-97%, and 55-77% for PFPAs, PFCAs, and PFSAs, respectively. A matrix effect (signal enhancement) was observed in the detection of PFPAs in tap water extracts, leading to calculated recoveries of 249-297% at a 0.5 ng/L spiking level. This effect resulted in an additional improvement of method sensitivity for PFPAs. To compensate for the matrix effect, PFPAs in tap water were quantified using matrix-matched and extracted calibration standards. The method was successfully applied to the analysis of drinking water collected from six European countries. PFPAs were not detected except for perfluorooctyl phosphonate (PFOPA) at close to the detection limit of 0.095 ng/L in two water samples from Amsterdam, the Netherlands. Highest levels were found for perfluorobutane sulfonate (PFBS, 18.8 ng/L) and perfluorooctanoate (PFOA, 8.6 ng/L) in samples from Amsterdam as well as for perfluorooctane sulfonate (PFOS, 8.8 ng/L) in tap water from Stockholm, Sweden.     

Eco‐friendly HClO4–SiO2 catalyzed synthesis of mono‐ and bis‐diaryl‐2h‐1,4 benzothiazines

Mono‐ and bis‐diaryl‐2H‐1,4‐benzothiazines were obtained in quantitative yields through silica‐supported perchloric acid catalyzed reaction cascade of double condensation and 1,4 addition of diaroylacetylenes with 2‐aminothiophenol at room temperature. The structures were confirmed by spectroscopic analyses and X‐ray crystallographic studies. J. Heterocyclic Chem., (2011)