Immuno-fluorescence based Vi capsular polysaccharide detection for specific recognition of Salmonella enterica serovar Typhi in clinical samples

Typhoid fever is a life threatening bacterial infection that remains a major global health concern. This continued high burden associated with significant morbidity and mortality rate demands specific and rapid detection technique. This work reports a new sandwich type fluorescence immunoassay format using polymyxin B, a cationic receptor molecule, as a binder agent while anti-Vi antibody served as the capturing agent for specifically detecting Salmonella enterica serovar Typhi. Anti-Vi IgG antibody raised against Vi–BSA conjugate revealed affinity of 7.779 nM⁻¹ signifying immunodominancy of O-acetyls groups in Vi polysaccharide. The detection limit of the developed assay was around 10¹ cells mL⁻¹ of Vi expressing Salmonella enterica serovar Typhi with a correlation coefficient (R²) equal to 0.97. Positive response obtained for all the tested serovar Typhi clinical isolates as well as the pathogen spiked blood samples recommended specificity and accuracy of Vi antigen as a biomarker during typhoid fever. The intra- and inter-assay precision with Vi spiked samples were satisfactory revealing coefficient of variance (CV%) with a mean of 4.05% and 5.97% respectively. This may be the novel attempt and constructive report on the fluorescence based detection of Vi antigen of serovar Typhi in the epidemic as well as pandemic outbreaks.     

CHARMMing: a new, flexible web portal for CHARMM

A new web portal for the CHARMM macromolecular modeling package, CHARMMing (CHARMM interface and graphics, http://www.charmming.org), is presented. This tool provides a user-friendly interface for the preparation, submission, monitoring, and visualization of molecular simulations (i.e., energy minimization, solvation, and dynamics). The infrastructure used to implement the web application is described. Two additional programs have been developed and integrated with CHARMMing: GENRTF, which is employed to define structural features not supported by the standard CHARMM force field, and a job broker, which is used to provide a portable method for using grid and cluster computing with CHARMMing. The use of the program is described with three proteins: 1YJP , 1O1O , and 1UFY . Source code is provided allowing CHARMMing to be downloaded, installed, and used by supercomputing centers and research groups that have a CHARMM license. Although no software can replace a scientist's own judgment and experience, CHARMMing eases the introduction of newcomers to the molecular modeling discipline by providing a graphical method for running simulations.     

One pot synthesis of novel dispiro[oxindole‐thiazolidinedione/thioxo‐thiazolidinone/dihydro pyrazolone]‐pyrrolidines via 1,3‐dipolar cycloaddition reaction of azomethine ylides

A series of novel dispiro[oxindole‐thiazolidinedione]pyrrolidine, dispiro[oxindole‐thioxothiazolidinone]‐pyrrolidine, dispiro[oxindole‐dihydro‐pyrazolone]pyrrolidine were synthesized by both regio‐ and stereo‐selective 1,3‐dipolar cycloaddition reaction of azomethine ylide generated from amino acid and amino acid ester with π‐deficient alkenes in a single pot protocol in good yield. X‐ ray crystallographic studies established orthogonal disposition between spiro‐oxindole and spiro‐thiazolidinedione rings in 4a and 5a .     

Mild Organic Ammonium Tribromide–Mediated Regioselective Ring Opening of Epoxides with Alcohols,Water, Acetic Anhydride,and Amines Under Solvent-Free Reaction Conditions

Organic ammonium tribromide (OATB), N-methylpyrrolidine-2-one hydrotribromide (MPHT) was found to be an efficient catalyst for the regioselective ring opening of epoxides with various nucleophiles under solvent free conditions. This procedure occurs under neutral and mild reaction conditions with out adding any additive and afforded high yields of products.

Dendrimer container for anion-responsive lanthanide complexation and "on-off" switchable near-infrared luminescence

A new dendrimer-type ligand dynamically switched the lanthanide complexation and luminescence profiles in response to external anions.     

Template synthesis, spectroscopic studies and biological screening of macrocyclic complexes derived from thiocarbohydrazide and benzil

A novel series of complexes of the type [M(TML)X₂]; where TML is a tetradentate macrocyclic ligand; M = Co(II), Ni(II), Cu(II) or Zn(II); X = Cl⁻, CH₃COO⁻ or NO ₃ ⁻ have been synthesized by template condensation of benzil and thiocarbohydrazide in the presence of divalent metal salts in methanolic medium. The complexes have been characterized with the help of elemental analyses, conductance measurements, molecular weight determination, magnetic measurements, electronic, NMR, infrared and far infrared spectral studies. Electronic spectra along with magnetic moments suggest the six coordinate octahedral geometry for these complexes. The low value of molar conductance indicates them to be non-electrolytes. The biological activities of metal complexes have been tested in vitro against a number of pathogenic bacteria to assess their inhibiting potential.     

PSPACE complexity of modal logic <Emphasis Type="Italic">K D</Emphasis>45<Subscript>n</Subscript>

We study sequent calculus for multi-modal logic K D45_n and its complexity. We introduce a loop-check free sequent calculus. Loop-check is eliminated by using the marked modal operator □_i^•, which is used as an alternative to sequents with histories ([8], [3], [5]). All inference rules are invertible or semi-invertible. To get this, we use or branches beside common and branches. We prove the equivalence between known sequent calculus and our newly introduced efficient sequent calculus. We concentrate on the complexity analysis of the introduced sequent calculus for multi-modal logic K D45_n. We prove that the space complexity of the given calculus is polynomial (O(l ³)). We show the maximum height of the constructed derivation tree that leads to the reduction of the time and space complexity. We present a decision algorithm for multi-modal logic K D45_n and some nontrivial examples to improve the introduced loop-check free sequent calculus.     

Chemical characterisations of Carpathian obsidian sources by instrumental and epithermal neutron activation analysis

Obsidian samples from the Tokaj Mountains (Hungary) and from the neighbouring Zemplin Hills (Slovakia) were analysed by instrumental and epithermal neutron activation analysis for obtaining a “fingerprint” for discrimination of potential natural sources of raw material that would permit tracing the origin of archaeological obsidian artefacts. These techniques fully discriminate the Zemplin Hills sources (Carpathian I, eastern Slovakia) and the Tokaj Mountain sources (Carpathian II, north-eastern Hungary) as well as these Central European sources from those already studied of the Mediterranean basin and adjacent regions.     

Acousto-optic modulation in magnetised diffusive semiconductors

The modulation of an intense electromagnetic beam induced by the acousto-optic (AO) effect has been analysed in a transversely magnetised semiconductor-plasma medium. The effect of carrier diffusion on the threshold field and gain profile of the modulated wave has been extremely investigated using coupled mode theory. The origin of the AO interaction is assumed to lie in the induced nonlinear diffusion current density of the medium. By considering the modulation process as a four wave parametric interaction an expression for effective third-order AO susceptibility describing the phenomena has been deduced. The modulation is greatly modified by propagation characteristics such as dispersion and diffraction due to dielectric relaxation of the acoustic mode. The threshold pump field and the steady state growth rates are estimated from the effective third-order polarisation in the plasma medium. Analytical estimation reveals that in the presence of enhanced diffusion due to excess charge carriers the modulated beam can be effectively amplified in a dispersionless acoustic wave regime. The presence of an external dc magnetic field is found to be favourable for the onset of diffusion induced modulational amplification of the modulated wave in heavily doped regime. Received 5 November 2001     

An efficient biomaterial supported bifunctional organocatalyst (ES-SO3- C5H5NH+) for the synthesis of β-amino carbonyls

A biomaterial supported organocatalyst, readily synthesized by the reaction of chemically modified sulfonic group containing expanded corn starch with pyridine exhibited excellent catalytic activity for the synthesis of β-amino carbonyls in excellent yields via aza-Michael addition of amines to electron deficient alkenes. A remarkable enhancement in the reaction rates was observed with the prepared bifunctional organocatalyst in comparison to the either starch grafted sulfonic acid or the corresponding homogeneous pyridinium p-toluenesulfonate.