Nucleation of β-hairpin structure in a pyrrole amino acid containing peptide

Synthesis and conformational studies of two short peptides containing pyrrole amino acids (1, Paa), Boc-Paa-Paa-d-Pro-Gly-Xaa-Paa-Paa-OMe (2: Xaa=Ala; 3: Xaa=Val), were carried out in which it was established that replacement of Ala in 2 with a Val residue helps peptide 3 to adopt a well-defined β-hairpin conformation in a nonpolar solvent, like CDCl₃.     

Physical noise model of a uniformly doped nanoscale FinFET photodetector

The noise mechanisms of a uniformly doped nanoscale FinFET photodetector including quantum mechanical effects is investigated theoretically. A numerical model has been developed for computation of different noise components in nanoscale FinFET. The drain current channel thermal noise under illuminated conditions is calculated. The noise parameters of the nanoscale FinFET equivalent circuit are strongly influenced by the incident optical signal and the quantum mechanical effects are found to play a major role in determining the overall noise performance of the device. It also reveals that the operating frequency can be adjusted suitably to make the noise behavior independent of the incident optical power. Other noise components such as Shot noise, thermal noise and diffusion noise have been calculated for the two port FinFET photodetector. Signal-to-noise ratio (SNR), Bit error rate (BER) and noise equivalent power (NEP) has also been calculated.     

Development and validation of LC‐MS/MS method for the estimation of β‐hydroxy‐β‐methylbutyrate in rat plasma and its application to pharmacokinetic studies

A simple, sensitive and specific high‐performance liquid chromatography mass spectrometry (LC‐MS/MS) method was developed and validated for the quantification of β‐hydroxy‐β‐methyl butyrate (HMB) in small volumes of rat plasma using warfarin as an internal standard (IS). The API‐4000 LC‐MS/MS was operated under the multiple reaction‐monitoring mode using the electrospray ionization technique. A simple liquid–liquid extraction process was used to extract HMB and IS from rat plasma. The total run time was 3 min and the elution of HMB and IS occurred at 1.48 and 1.75 min respectively; this was achieved with a mobile phase consisting of 0.1% formic acid in a water–acetonitrile mixture (15:85, v/v) at a flow rate of 1.0 mL/min on a Agilent Eclipse XDB C₈ (150 × 4.6, 5 µm) column. The developed method was validated in rat plasma with a lower limit of quantitation of 30.0 ng/mL for HMB. A linear response function was established for the range of concentrations 30–4600 ng/mL (r > 0.998) for HMB. The intra‐ and inter‐day precision values for HMB were acceptable as per Food and Drug Administration guidelines. HMB was stable in the battery of stability studies, viz. bench‐top, autosampler freeze–thaw cycles and long‐term stability for 30 days in plasma. The developed assay method was applied to a bioavailability study in rats. Copyright © 2012 John Wiley & Sons, Ltd.     

An enhanced performance of hybrid supercapacitor based on polyaniline-manganese phosphate binary composite

Journal of Solid State Electrochemistry - Manganese phosphate (Mn3(PO4)2) particles decorated polyaniline (PANI) have been proposed as a promising electrode material for supercapacitors. Mn3(PO4)2...     

Statistics and schools

This paper considers the place of statistics in school, putting forward the view that it should be seen as an interdisciplinary subject, relevant to all pupils, rather than solely as a separate specialism for a minority of children.     

Synthesis and applications of a novel supramolecular polymer network with multiple H‐bonded melamine pendants and uracil crosslinkers

A conjugated main‐chain copolymer ( PBT ) consisting of bithiazole, dithieno[3,2‐b:2′,3′‐d]pyrroles (DTP), and pendent melamine units was synthesized by Stille polymerization, which can be hydrogen‐bonded (H‐bonded) with proper molar amounts of bi‐functional π‐conjugated crosslinker F (i.e., two uracil motifs covalently attached to a fluorene core through triple bonds symmetrically) to develop a novel supramolecular polymer network ( PBT/F ). The effects of multiple H‐bonds on light harvesting capabilities, HOMO levels, and photovoltaic properties of polymer PBT and H‐bonded polymer network PBT/F are investigated. The formation of supramolecular polymer network ( PBT/F ) between PBT and F was confirmed by FTIR and XRD measurements. Because of the stronger light absorption, lower HOMO level, and higher crystallinity of H‐bonded polymer network PBT/F , the solar cell device containing PBT/F showed better photovoltaic properties than that containing polymer PBT . The preliminary results show that the solar cell device containing 1:1 weight ratio of PBT/F and [6,6]‐phenyl C₇₁ butyric acid methyl ester (PC₇₁BM) offers the best power conversion efficiency (PCE) value of 0.86% with a short‐circuit current density (J_sc) of 4.97 mA/cm², an open circuit voltage (V_oc) of 0.55 V, and a fill factor (FF) of 31.5%. © 2011 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012     

Nanoindentation as a Probe for Mechanically‐Induced Molecular Migration in Layered Organic Donor–Acceptor Complexes

Nanoindentation and scratch experiments on 1:1 donor–acceptor complexes, 1 and 2 , of 1,2,4,5‐tetracyanobenzene with pyrene and phenanthrene, respectively, reveal long‐range molecular layer gliding and large interaction anisotropy. Due to the layered arrangements in these crystals, these experiments that apply stress in particular directions result in the breaking of interlayer interactions, thus allowing molecular sheets to glide over one another with ease. Complex 1 has a layered crystal packing wherein the layers are 68° skew under the (002) face and the interlayer space is stabilized by van der Waals interactions. Upon indenting this surface with a Berkovich tip, pile‐up of material was observed on just one side of the indenter due to the close angular alignment of the layers with the half angle of the indenter tip (65.35°). The interfacial differences in the elastic modulus (21 %) and hardness (16 %) demonstrate the anisotropic nature of crystal packing. In 2 , the molecular stacks are arranged in a staggered manner; there is no layer arrangement, and the interlayer stabilization involves C? H???N hydrogen bonds and π???π interactions. This results in a higher modulus (20 %) for (020) as compared to (001), although the anisotropy in hardness is minimal (4 %). The anisotropy within a face was analyzed using AFM image scans and the coefficient of friction of four orthogonal nanoscratches on the cleavage planes of 1 and 2 . A higher friction coefficient was obtained for 2 as compared to 1 even in the cleavage direction due to the presence of hydrogen bonds in the interlayer region making the tip movement more hindered.     

A sensitive LC‐MS/MS method for the quantification of febuxostat in human plasma and its pharmacokinetic application

An improved, simple and highly sensitive LC‐MS/MS method has been developed and validated for quantification of febuxostat with 100 μL human plasma using febuxostat‐d₇ as an internal standard (IS) according to regulatory guidelines. The analyte and IS were extracted from human plasma via liquid–liquid extraction using diethyl ether. The chromatographic separation was achieved on a Zorbax C₁₈ column using a mixture of acetonitrile and 5 mm ammonium formate (60:40, v/v) as the mobile phase at a flow rate of 0.5 mL/min. The total run time was 5.0 min and the elution of febuxostat and IS occurred at 1.0 and 1.5 min, respectively. A linear response function was established for the range of concentrations 1–6000 ng/mL (r > 0.99). The precursor to product ion transitions monitored for febuxostat and IS were m/z 317.1 → 261.1 and 324.2 → 262.1, respectively. The intra‐ and inter‐day precisions (%RSD) were within 1.29–9.19 and 2.85–7.69%, respectively. The proposed method was successfully applied to pharmacokinetic studies in humans. Copyright © 2013 John Wiley & Sons, Ltd.     

Novel and Efficient Oxidation of Benzyl Ethers to Benzaldehydes by DMSO/49% Aq. HBr

Dimethylsulfoxide (DMSO) oxidizes benzyl ethers into corresponding benzaldehydes at 110°C; the reaction is accelerated by 49% aq. HBr. The conditions work well for different aryl‐substituted benzyl ethers. This protocol is inert toward dialkyl ethers.