Pure rotational spectrum and ring inversion tunnelling of silacyclobutane

The ground state pure rotational spectrum of silacyclobutane (SCB) (c-SiH(2)C(3)H(6)) has been investigated using both Fourier transform microwave (FTMW) and chirped pulse Fourier transform microwave (cp-FTMW) spectroscopies. Spectra of the (13)C, (29)Si, and (30)Si singly substituted isotopologues, in natural abundance, were recorded in the 6-24 GHz region along with those of the normal species. The ring inversion tunnelling splitting in the ground vibrational state was resolved and analyzed to determine the energy splitting of the two states: 75.7260(19) MHz. Structural analysis based on heavy atom substitution provided accurate geometric parameters including the bond lengths, bond angles, and ring puckering angle of the SCB ring backbone.     

Synthesis and Biological Activity of New Resveratrol Derivative and Molecular Docking: Dynamics Studies on NFkB

Resveratrol (RVS) is a naturally occurring antioxidant, able to display an array of biological activities. In the present investigation, a new derivative of RVS, RVS(a), was synthesized, and its biological activity was determined on U937 cells. It was observed that RVS(a) showed pronounced activity on U937 cells than RVS. RVS(a) is able to induce apoptosis in tumor cell lines through subsequent DNA fragmentation. From the EMSA results, it was evident that RVS(a) was able to suppress the activity of NFkB by interfering its DNA binding ability. Furthermore, the molecular interaction analysis (docking and dynamics) stated that RVS(a) has strong association with the IkB-alpha site of NFkB compared with RVS; this binding nature of RVS(a) might be prevent the NFkB binding ability with DNA. The present findings represent the potential activity of propynyl RVS on U937 cells and signifying it as a one of putative chemotherapeutic drugs against cancer.     

Role of solvents in the gelation process: can light scattering studies shed some light?

Sol–gel reactions continue to be of interest for the preparation of nanostructured materials. Two chemical reactions that are important in the sol–gel process are the hydrolysis and condensation reactions. The rate of the these two reactions are affected by a number of factors such as reaction pH, temperature, humidity, amount of water, type of alkoxide, molar ratio of alkoxide to water, and nature of solvent. Moreover, there is a physical process, that of particle aggregation that is also important in the overall gelation process. The role of solvents in these chemical and physical processes is still not very clear. In order to clarify the role of solvents in the gelation process, small angle light scattering studies (SALS) were carried out. A model system chosen was a colloidal silica solution that contained preformed silica particles of 10–15 nm in diameter. SALS studies indicate that gelation times are independent of the nature of solvent.     

Determination of post-culture processing with carbohydrates by MALDI-MS and TMS derivatization GC-MS

Biological materials generally require stabilization to retain activity or viability in a dry form. A number of industrial products, such as vaccines, probiotics and biopesticides have been produced as dry preparations. The same methods and materials used for stabilizing commercial microbial products may be applicable to preserving biothreat pathogens in a dry form. This is a likely step that may be encountered when looking at samples from terrorism attempts since only spores, such as those from Bacillus anthracis, are inherently stable when dried. The stabilizers for microbial preparations generally include one or more small carbohydrates. Different formulations have been reported for different industrial products and are often determined empirically. However sugar alcohols (mannitol and sorbitol) and disaccharides (lactose, sucrose and trehalose) are the common constituents of these formulations. We have developed an analytical method for sample preparation and detection of these simple carbohydrates using two complementary analytical tools, MALDI-MS and GC-MS. The native carbohydrates and other constituents of the formulation are detected by MALDI-MS as a screening tool. A longer and more detailed analysis is then used to specifically identify the carbohydrates by derivatization and GC-MS detection. Both techniques were tested against ten different types of stabilization recipes with Yersinia pestis cell mass cultured on different media types used as the biological component. A number of additional components were included in these formulations including proteins and peptides from serum or milk, polymers (e.g. poly vinyl pyrrolidone - PVP) and detergents (e.g. Tween). The combined method was characterized to determine several figures of merit. The accuracy of the method was 98% for MALDI-MS and 100% for GC-MS. The repeatability for detection of carbohydrates by MALDI-MS was determined to be 96%. The repeatability of compound identification by GC-MS was determined by monitoring variation in retention time, which is vital for identification of isomeric carbohydrates. The figures of merit illustrate an effective and accurate method for mono and disaccharide detection independent of formulation. This meets our primary goal for method development as small carbohydrates are among the most common stabilizers employed.     

Investigation of experimental observables in search of the chiral magnetic effect in heavy-ion collisions in the STAR experiment

The chiral magnetic effect(CME)is a novel transport phenomenon,arising from the interplay between quantum anomalies and strong magnetic fields in chiral systems.In high-energy nuclear collisions,the CME may survive the expansion of the quark-gluon plasma fireball and be detected in experiments.Over the past two decades,experimental searches for the CME have attracted extensive interest at the Relativistic Heavy Ion Collider(RHIC)and the Large Hadron Collider(LHC).The main goal of this study is to investigate three pertinent experimental approaches:the$\gamma$correlator,the R correlator,and the signed balance functions.We exploit simple Monte Carlo simulations and a realistic event generator(EBE-AVFD)to verify the equivalence of the core components among these methods and to ascertain their sensitivities to the CME signal and the background contributions for the isobar collisions at the RHIC.     

Neuropeptide delivery to the brain: a von Willebrand factor signal peptide to direct neuropeptide secretion

Background  

Multiple neuropeptides, sometimes with opposing functions, can be produced from one precursor gene. To study the roles of the different neuropeptides encoded by one large precursor we developed a method to overexpress minigenes and establish local secretion.