RAMPED-UP NMR: multiplexed NMR-based screening for drug discovery

The crucial step in drug discovery is the identification of a lead compound from a vast chemical library by any number of screening techniques. NMR-based screening has the advantage of directly detecting binding of a compound to the target. The spectra resulting from these screens can also be very complex and difficult to analyze, making this an inefficient process. We present here a method, RAMPED-UP NMR, (Rapid Analysis and Multiplexing of Experimentally Discriminated Uniquely Labeled Proteins using NMR) which generates simple spectra which are easy to interpret and allows several proteins to be screened simultaneously. In this method, the proteins to be screened are uniquely labeled with one amino acid type. There are several benefits derived from this unique labeling strategy: the spectra are greatly simplified, resonances that are most likely to be affected by binding are the only ones observed, and peaks that yield little or no information upon binding are eliminated, allowing the analysis of multiple proteins easily and simultaneously. We demonstrate the ability of three different proteins to be analyzed simultaneously for binding to two different ligands. This method will have significant impact in the use of NMR spectroscopy for both the lead generation and lead optimization phases of drug discovery by its ability to increase screening throughput and the ability to examine selectivity. To the best of our knowledge, this is the first time in any format that multiple proteins can be screened in one tube.     

Determination of the residue of quizalofop-p-tefuryl in soybean by HPLC

A HPLC method was developed for the analysis of quizalofop-P-tefurylof in soybean. The samples were extracted with methanol-water (volume ratio), The extracts were cleaned up with a column of silica gel. The final residue was detected by HPLC, using a UV detector. The recoveries from the analytical method for soybean were 84.32%–89.25%. Variable coefficients were 0.49%∼1.51%. This method proved to be simple, reliable and accurate. __________ Translated from Chinese Journal of Chromatography, 2005, 23(2)(in Chinese)     

Compounding Selectivity in Reactions of Diastereoisomeric Radical Intermediates. An experimental demonstration that the yield of a product from a diastereotopic-group-selective reaction can significantly exceed the level of group selectivity

Reduction of a bis-radical precursor, 6-phenyl-1,1-bis[3-(phenylselanyl)propyl]-3a,4-dihydro-1H,3H-cyclopenta[c]furan-5-one ( 6 ), with 3 equiv. of Ph₃SnH provides mixtures of cis,cis- or cis,trans-angular triquinane products (3aα,5aβ,8β,8aR*)- and (3aα,5aα,8β,8aR*)-hexahydro-3a-propyl-8-phenyl-5H-dicyclopenta[b,c]furan-7(8H)-one (cis,cis- 12 /cis,trans- 12 ), in yields that vary from 50%/50% to 91%/6% depending on the reaction concentration. A mechanistic model for this process is proposed that involves a non-selective phenylselenium-group abstraction step followed by successive kinetic resolutions of diastereoisomeric radical intermediates. This reaction shows how yields in group-selective reactions can be compounded to levels above that ostensibly permitted by the level of the group-selective step.     

线性低密度聚乙烯在与丁苯橡胶的共混体系中的结晶行为

本工作采用DSC、X-射线衍射、小角激光光散射、偏光显微镜等手段,研究了线性低密度聚乙烯/丁苯橡胶共混体系中聚乙烯的结晶结构、平衡熔点和结晶动力学。     

STUDY ON POLYMER-Ru-Co BIMETALLIC COMPLEXES CATALYSTS Ⅱ.X-RAY PHOTOELECTRON SPECTROSCOPIC ANALYSIS

Polymer Ru-Co bimetallic complexes have been examined by X-ray photoelectron spectroscopy.The catalyst is highly active only when the mole ratio of Co/Ru is 4: 3. The activity of catalysts does not depend on the total Co/Ru ratio, but on the surface stoichiometry of Co and Ru. When the relative intensities of Co_2_p and Ru_(3d) of XPS peaks are close to each other and both are high,the catalyst exhibits its maximum activity The mechanism ofcatalytic hydroformylation has been discussed.     

Synthesis and Crystal Structure of 7α-[（R）-1-Hy droxyl-1-methyl-3-（ thien-2-yl）-propyl]-6,14-endoethanotetrahydrothebaine

1 INTRODUCTION Opioid analogues still remain important drugs for the relief of severe pain and morphine is still the drug of choice in such situations. For many years, the search for new centrally acting opioid deriva- tives with pain-relieving properties and without un- desired side effects, such as addiction, obstipation, etc., has been the goal of a large number of scien- tists[1-3]. Consequently, a wide variety of modifyca- tions of the well-known alkaloids morphine, codeine and thebai…     

PBA@POM Hybrids as Efficient Electrocatalysts for the Oxygen Evolution Reaction

To realize the effective conversion of renewable energy through water decomposition, efficient electrocatalysts for the oxygen evolution reaction (OER) are essential. In this article, PBA@POM was successfully prepared with a Prussian blue analogue (PBA) as the initial structure. A facile hydrothermal process is reported for obtaining PBA@POM by etching the cubic PBA with a strong Brønsted acid, H₃PMo₁₂O₄₀ (HPMo). The hollow cube structure not only exposes more active sites but also promotes electron transport, which results in excellent electrocatalytic activity for the OER. Compared with the PBA, which initially simply adhered to POM, the optimum PBA@POM hybrids display remarkably enhanced OER catalytic activity, with an almost constant overpotential of 440 mV at a current density of 10 mA cm^?2 and a small Tafel slope (23.45 mV dec^?1). The facilely prepared PBA@POM with good electrochemical activity and stability promises great potential for the OER.     

Classificatin of chinese tea samples according to origin and quality by principal component techniques

Three categories of tea, black, green and oolong tea, with those varieties in each category were analyzed for their contents of cellulose, hemicellulose, lignin, polyphenols, caffeine and amino acids. The data were subjected to multivarige analysis. Principal component analysis and principal component classification provide discrimination between the different categories and varieties. The quality index, assigned to these tea standards by experts, could be predicted form the principal component scores.     

Catalyzed collapse and enhanced hydrogen storage of BN nanotubes

The novel morphology of BN nanotubes with a collapsed structure has been discovered by a metal-catalyzed treatment. The collapse causes the dramatic enlargement of a specific surface area of BN nanotubes and remarkably enhances the hydrogen storage capacity of BN nanotubes.     

Degradation of 4-Chlorophenol using a Gas–Liquid Gliding Arc Discharge Plasma Reactor

The gas–liquid gliding arc discharge plasma is used directly to study degradation and dechlorination of 4-Chlorophenol (4-CP) in solution. The typical AC waveforms of discharge voltage and current revealed that the discharge behavior was not definitely periodic. The chemical oxygen demand (COD) abatement of 4-CP solution with stainless steel electrode is higher than that with aluminum or brass electrode; When air was used as carrier gas the COD abated from 1,679.2 to 190 mg/L (i.e., 88.68% abatement) after 76 min plasma treatment; Increasing gas–liquid mixing rate could also increase the degradation of 4-CP; adding appropriate amounts of Fe²⁺ or iron chips to the solution were found to be favorable for 4-CP degradation. The main intermediates of 4-CP degradation are p-benzoquinone, hydroquinone, 4-chlorocatechol, p-chloronitrobenzene, and ring cleavage products (acetic acid, glycol, propanone, and others). Furthermore, possible pathways of 4-CP degradation in solution are proposed.