Sulphoxide complexes of ruthenium

Summary Compounds of the type RuL_4–nX_2+n where L = dimethyl sulphoxide (DMSO), tetramethylene sulphoxide (TMSO) and X = Cl, Br or I for n = 0 and L = di-n-propyl sulphoxide (n-Pr₂SO) and di-n-butyl sulphoxide (n-Bu₂SO) X = Cl or Br for n = 1 and also Ru(DMSO)₆Br₃ have been prepared and studied. The important i.r. bands of all compounds together with their electronic spectra and the thermograms of some of them are discussed. In order to interpret the i.r. data, the corresponding deuteriated (DMSO-d₆) analogues have also been prepared. In the majority of the compounds of the type RuL₄X₂ the sulphoxide ligands are bonded through the sulphur atom; in a few cases, bonding through both S- and O-donor sites has been found. A mixed type of bonding is also observed in Ru(DMSO)₆Br₃ and in RuL₃X₃.     

Identification of Putative Vaccine and Drug Targets against the Methicillin-Resistant Staphylococcus aureus by Reverse Vaccinology and Subtractive Genomics Approaches

Methicillin-resistant Staphylococcus aureus (MRSA) is an opportunistic pathogen and responsible for causing life-threatening infections. The emergence of hypervirulent and multidrug-resistant (MDR) S. aureus strains led to challenging issues in antibiotic therapy. Consequently, the morbidity and mortality rates caused by S. aureus infections have a substantial impact on health concerns. The current worldwide prevalence of MRSA infections highlights the need for long-lasting preventive measures and strategies. Unfortunately, effective measures are limited. In this study, we focus on the identification of vaccine candidates and drug target proteins against the 16 strains of MRSA using reverse vaccinology and subtractive genomics approaches. Using the reverse vaccinology approach, 4 putative antigenic proteins were identified; among these, PrsA and EssA proteins were found to be more promising vaccine candidates. We applied a molecular docking approach of selected 8 drug target proteins with the drug-like molecules, revealing that the ZINC4235426 as potential drug molecule with favorable interactions with the target active site residues of 5 drug target proteins viz., biotin protein ligase, HPr kinase/phosphorylase, thymidylate kinase, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-L-lysine ligase, and pantothenate synthetase. Thus, the identified proteins can be used for further rational drug or vaccine design to identify novel therapeutic agents for the treatment of multidrug-resistant staphylococcal infection.     

The development of phosphinoamine–Pd(II)–imidazole complexes: implications in room‐temperature Suzuki–Miyaura cross‐coupling reaction

The reaction of N‐methylimidazole (N‐MeIm) and N‐butylimidazole (N‐BuIm) with the complexes [PdCl₂(PPh₂py–P,N)] and [PdCl₂(PPh₂Etpy–P,N)] in the presence of NH₄PF₆ under N₂ at room temperature afforded four new cationic Pd(II) complexes [PdCl(PPh₂py–P,N)(N‐MeIm)](PF₆) ( 1 ), [PdCl(PPh₂py–P,N)(N‐BuIm)](PF₆) ( 2 ), [PdCl(PPh₂Etpy–P,N)(N‐MeIm)](PF₆) ( 4 ) and [PdCl(PPh₂Etpy‐P,N)(N‐BuIm)](PF₆) ( 5 ) in good yields, where PPh₂py is 2‐(diphenylphosphino)pyridine and PPh₂Etpy is 2‐{2‐(diphenylphosphino)ethyl}pyridine). The complexes were fully characterized. The catalytic activities of these complexes were investigated for Suzuki–Miyaura cross‐coupling reactions at room temperature. Complex 2 exhibited excellent activity compared to other analogs. Copyright © 2013 John Wiley & Sons, Ltd.     

Highly efficient amine‐based catalytic system for room temperature Suzuki–Miyaura reactions of aryl halides with arylboronic acids

An in situ‐generated catalytic system based on PdCl₂ and primary amine‐based ligand exhibited excellent activity (up to 98% isolated yield) in the Suzuki–Miyaura cross‐coupling reactions of aryl bromides with arylboronic acids in water, at room temperature, without any additive. The efficiencies of the ligands follow the order: (C₆H₅)₃CNH₂ > C₆H₅CH₂ NH₂ > C₆H₅ NH₂ > C₆H₁₁ NH₂, which is in accordance with the palladacycle forming capacity of the respective ligands. Moderate‐to‐good yields (up to 78% isolated yield) of the coupling products were also obtained with less reactive aryl chlorides as substrates at room temperature in isopropanol using an alternative protocol based on Pd(OAc)₂ and (C₆H₅)₃CNH₂. Copyright © 2011 John Wiley & Sons, Ltd.     

Amberlyst-15 Catalyzed Cbz Protection of Amines Under Solvent-Free Conditions

Amberlyst-15 can effectively catalyze Cbz protection of aliphatic and aromatic amines within 10–15 min under solvent-free conditions. The catalyst can be used repeatedly without loss of activity, and the reaction requires no workup and gives excellent yields.

MATHEMATICAL AND EXPERIMENTAL ESSENTIALS OF THE MULSIFICATION PROCESS: OPTIMAL PARAMETERS DETERMINATION

The evaluation of the procedure for the determination of optimal parameters for the preparation of 0/W emulsions by the mechanical homogenizer has been studied. The method is based on a general functional dependence of the emulsion droplet-size distribution parameters on various factors (homogenization time interval, emulsifi-er concentration, and homogenization intensity) Calculated parameters of the derived mathematical relations were used for characterization of the specific action and limiting capabilities of a particular emulsifier, as well as for the determination of the optimal emulsifica-tion conditions. Changes in emulsifier concentration cause remarkable effects on the emulsion droplet sizes, but only at lower emulsifier concentrations (below the optimal ones). If the homogenization intensity is insufficient, coarse and very unstable emulsions are obtained; if higher than the optimal one, the homogenization effects are not proportional to the energy expended.     

Photonic bandgap plasmonic waveguides

A type of a plasmonic waveguide has been proposed featuring an "open" design that is easy to manufacture, simple to excite and offers convenient access to a plasmonic mode. Optical properties of photonic bandgap (PBG) plasmonic waveguides are investigated experimentally by leakage radiation microscopy and numerically using the finite element method confirming photonic bandgap guidance in a broad spectral range. Propagation and localization characteristics of a PBG plasmonic waveguide have been discussed as a function of the wavelength of operation, waveguide core size, and the number of ridges in the periodic reflector for fundamental and higher order plasmonic modes of the waveguide.     

DABCO-catalyzed synthesis of 3-substituted-3-hydroxyindolin-2-ones in aqueous media

An efficient and greener protocol for easy access to 3-susbstituted-3-hydroxy-2-oxindoles by the reaction with various substituted isatins and acetophenones is described. This protocol is widely applicable for a variety of isatins and acetophenones using water as a reaction media and 1,4-diazabicyclo[2.2.2]octane (DABCO) as catalyst with shorter reaction time and good to excellent yield of products.     

Heterogeneous Pd/C-catalyzed ligand-free, room-temperature Suzuki-Miyaura coupling reactions in aqueous media

A mild and efficient ligand-free Suzuki-Miyaura coupling reaction catalyzed by heterogeneous Pd/C was developed. Aryl bromides and triflates undergo the cross-coupling with aryl boronic acids in excellent yields without the presence of any additives in aqueous media at room temperature. Aryl vinyl boronic acids are also applicable to this coupling reaction and provide the trans-stilbene derivatives in high yields. The application of wet-type Pd/C to the coupling reaction was achieved without any loss of activity under aerobic conditions, and the reuse of Pd/C is feasible for a fifth run without significant loss of activity. Inductively coupled plasma (ICP) mass-spectrometric analysis of the filtrate from the reaction mixture of 4-bromonitrobenzene with phenylboronic acid demonstrated that the palladium metal hardly leached into the solution within the limits of the detector (<1 ppm), thus suggesting that the present Suzuki-Miyaura reaction proceeded by heterogeneous catalysis.