Transferred multipolar atom model for 10β,17β‐dihydroxy‐17α‐methylestr‐4‐en‐3‐one dihydrate obtained from the biotransformation of methyloestrenolone

Biotransformation is the structural modification of compounds using enzymes as the catalysts and it plays a key role in the synthesis of pharmaceutically important compounds. 10β,17β‐Dihydroxy‐17α‐methylestr‐4‐en‐3‐one dihydrate, C₁₉H₂₈O₃·2H₂O, was obtained from the fungal biotransformation of methyloestrenolone. The structure was refined using the classical independent atom model (IAM) and a transferred multipolar atom model using the ELMAM2 database. The results from the two refinements have been compared. The ELMAM2 refinement has been found to be superior in terms of the refinement statistics. It has been shown that certain electron‐density‐derived properties can be calculated on the basis of the transferred parameters for crystals which diffract to ordinary resolution.     

Enantiopure Ferrocene‐Based Planar‐Chiral Iridacycles: Stereospecific Control of Iridium‐Centred Chirality

Reaction of [IrCp*Cl₂]₂ with ferrocenylimines (Fc=NAr, Ar=Ph, p‐MeOC₆H₄) results in ferrocene C?H activation and the diastereoselective synthesis of half‐sandwich iridacycles of relative configuration S_p*,R_Ir*. Extension to (S)‐2‐ferrocenyl‐4‐(1‐methylethyl)oxazoline gave highly diastereoselective control over the new elements of planar chirality and metal‐based pseudo‐tetrahedral chirality, to give both neutral and cationic half‐sandwich iridacycles of absolute configuration S_c,S_p,R_Ir. Substitution reactions proceed with retention of configuration, with the planar chirality controlling the metal‐centred chirality through an iron–iridium interaction in the coordinatively unsaturated cationic intermediate.     

Development and validation of an LC‐MS/MS method for simultaneous quantitative analysis of free and conjugated bisphenol A in human urine

Bisphenol A (BPA) is an environmental endocrine‐disrupting chemicals that is widely used in common consumer products. There is an increasing concern regarding human exposure to BPA owing to the potential adverse effects associated with its estrogenic activity. For assessing environmental exposure to BPA, it is essential to have a sensitive, accurate and selective analytical method, especially one that can detect low BPA levels in complex sample matrices. In this study, we developed and validated an accurate, sensitive, and robust liquid chromatography–tandem mass spectrometry method for simultaneous quantification of free BPA and BPA β‐d ‐glucuronide (BPA‐gluc) concentrations in human urine with only a single injection. Calibration curves were linear over a concentration range of 1–100 ng/mL for BPA and 10–1000 ng/mL for BPA‐gluc. The levels of the analytes were determined quantitatively with HPLC/ESI‐MS/MS by using negative electrospray ionization in the select ion monitoring mode and a pentaflouraphenyl propyl column. The validated method was applied to the analysis of spot urine specimens collected from randomly selected healthy human subjects. Copyright © 2013 John Wiley & Sons, Ltd.     

A Novel One Pot Synthesis of o‐Nitrophenylacetic Acid and Unexpected p‐Nitrobenzoic Acid by HNO3‐Mediated CH2 Extrusion Reaction of Phenylacetic Acid

The HNO₃‐mediated CH₂ extrusion reactions of phenylacetic acid lead to one pot synthesis of unexpected commercially important product 4‐nitrobenzoic acid through the formation of 4‐nitrophenylacetic acid and 2‐nitrophenylacetic acid.     

Effect of transmission fiber and amplifier noise on optical chaos synchronization

Optical chaos propagation has few constraints peculiar to itself which do not become as significant in conventional nonchaotic optical communication. We have investigated the effects of transmission fiber nonlinearities, dispersion and noise of erbium doped fiber amplifier (EDFA) on chaotic signal synchronization in lumped and distributed configuration. It is found that the effects of fiber dispersion can be easily compensated; however, the effects of fiber nonlinearity on chaos cannot be overdone and must be avoided. Three distinct configurations with different combinations of standard telecommunication fiber, dispersion compensation fiber and lumped and distributed EDF for amplification are analysed. The results are compared in terms of sync diagrams and noise figure. The chaos after propagation through distributed amplification performs better as compared to lumped amplification. Also, a new quantitative measure for the calculation of deviation in sync diagram of chaos is introduced.     

High-performance hybrid supercapacitor based on pure and doped Li4Ti5O12 and graphene

Journal of Solid State Electrochemistry - Graphene nanosheets (G) and pure, as well as doped Mg-, Mn-, V-Li4Ti5O12, spinel structure have been synthesized. As-prepared materials were characterized...