Growth Actuated Bending and Twisting of Single Crystals

Crystals of a variety of substances including elements, minerals, simple salts, organic molecular crystals, and high polymers forgo long‐range translational order by twisting and bending as they grow. These deviations have been observed in crystals ranging in size from nanometers to centimeters. How and why so many materials choose dramatic non‐crystallographic distortions is analyzed, with an emphasis on crystal chemistries that give rise to stresses operating either on surfaces of crystallites or within the bulk.     

Hypervalent Iodine Oxidation of Hydrazones of Some Nitrogen Heterocyclic Ketones and Aldehydes: An Efficient Synthesis of Fused 1,2,3-Triazoloheterocycles

Fused 1,2,3-triazoloheterocycles have been prepared by iodobenzene diacetate mediated oxidation of hydrazones of nitrogen heterocyclic ketones and aldehydes.     

Exergy and thermoeconomic analysis of cream pasteurisation plant

Journal of Thermal Analysis and Calorimetry - Cream is a milk derivative comparatively rich in fat, present in the form of emulsion of fat in skimmed milk, and acquired by physical extraction from...     

On multivariate calibration with unlabeled data

In principal component regression (PCR) and partial least‐squares regression (PLSR), the use of unlabeled data, in addition to labeled data, helps stabilize the latent subspaces in the calibration step, typically leading to a lower prediction error. For using unlabeled data in PLSR, a non‐sequential approach based on optimal filtering (OF) has been proposed in the literature. In this work, a sequential version of the OF‐based PLSR and a PCA‐based PLSR (PLSR applied to PCA‐preprocessed data) are proposed. It is shown analytically that the sequential version of the OF‐based PLSR is equivalent to that of PCA‐based PLSR, which leads to a new interpretation of OF. Simulated and experimental data sets are used to point out the usefulness and pitfalls of using unlabeled data. Unlabeled data can replace labeled data to some extent, thereby leading to an economic benefit. However, in the presence of drift, the use of unlabeled data can result in an increase in prediction error compared to that obtained with a model based on labeled data alone. Copyright © 2011 John Wiley & Sons, Ltd.     

A systematic family-wide investigation reveals that ~30% of mammalian PDZ domains engage in PDZ-PDZ interactions

PDZ domains are independently folded modules that typically mediate protein-protein interactions by binding to the C termini of their target proteins. However, in a few instances, PDZ domains have been reported to dimerize with other PDZ domains. To investigate this noncanonical-binding mode further, we used protein microarrays comprising virtually every mouse PDZ domain to systematically query all possible PDZ-PDZ pairs. We then used fluorescence polarization to retest and quantify interactions and coaffinity purification to test biophysically validated interactions in the context of their full-length proteins. Overall, we discovered 37 PDZ-PDZ interactions involving 46 PDZ domains (~30% of all PDZ domains tested), revealing that dimerization is a more frequently used binding mode than was previously appreciated. This suggests that many PDZ domains evolved to form multiprotein complexes by simultaneously interacting with more than one ligand.     

Improved extraction and clean-up of imidazolinone herbicides from soil solutions using different solid-phase sorbents

Extraction and quantification of herbicide residues from soil are important in understanding the behaviour of persistent herbicides. This research investigated extraction and clean-up methods for imidazolinone herbicides from soil and soil amended with organic material. A series of solvent mixes, pH conditions and sorbents was tested. Across three imidazolinone herbicides: imazapyr, imazethapyr and imazaquin, 0.5 M NaOH extraction gave greater than 90% recovery from soil samples; however, 0.5 M NaOH:MeOH (80:20) resulted in higher recovery for imazaquin, but not for the other two herbicides. Of the sorbents tested, the use of chromatographic mode sequencing using C₁₈ and SCX sorbents provided consistent high (>85%) recovery of all three herbicides from soil and separation of the herbicides from other soil components by high performance liquid chromatography (HPLC). These two methods will allow high recovery of these imidazolinone herbicides from soil and have the ability to detect these herbicides without interference from other soil components.     

The fluorinations of pentafluoronitrobenzene and pentafluorobenzaldehyde by cobalt(III) fluoride

The nitro-group survived in the fluorination of pentafluoronitrobenzene by cobalt(III) fluoride at 135–150°, the major products being undecafluoronitrocyclohexane and nonafluoro-4-nitrocyclohex-1-ene. 2H- Tetrafluoronitrobenzene similarly afforded $\text{cis-}$ and $\text{trans}$-2H-1-nitrodeca- fluorocyclohexane and 5H/4-nitro-octafluorocyclohex-l-ene. Pentafluoro- benzaldehyde was fluorinated to give undecafluorocyclohexanecarbonyl fluoride and nonafluorocyclohex-3-enecarbonyl fluoride. Nonafluoro-4- nitrocyclohex-1-ene was oxidized to 3-nitroheptafluorohexan-1,6-dioic acid, and undecafluoronitrocyclohexane was hydrogenated over a palladium catalyst at low pressure to give decafluorocyclohexanone oxime and 1H-decafluoro- cyclohexanamine, accompanied by 1-aminononafluorocyclohex-1-ene.     

Standardization and validation of phytometabolites by UHPLC and high-performance thin layer chromatography for rapid quality assessment of ancient ayurvedic medicine,Mahayograj Guggul

Mahayograj Guggul is an ancient ayurvedic medicine, prescribed for various joint disorders like arthritis, gout, and rheumatism. The present research was envisaged to develop a simple, sensitive, and comprehensive analytical method for standardization of Mahayograj Guggul. The analysis was conducted for gallic acid, protocatechuic acid, vanillic acid, cinnamic acid, piperine, guggulsterone-E, and guggulsterone-Z by high-performance thin-layer chromatography, and additionally ferulic acid, ellagic acid, and picroside I by ultra high-performance liquid chromatography. These developed methods were validated as per international guidelines, and were found linear (r² > 0.99), sensitive, precise (relative standard deviation < 5%), and accurate with recovery values (85–105%). The limit of detection and quantification were in the range of 0.11–23.6 and 0.33–71.51 μg/g. Gas chromatography tandem mass spectrometry was used to develop Mahayograj Guggul fingerprinting profile and to identify mid-polar or nonpolar compounds. Proximate analysis was used to ascertain the functional groups present in Mahayograj Guggul. Ultra high-performance liquid chromatography and gas chromatography tandem mass spectrometry were further employed to authenticate quality reproducibility in the active ingredients of Mahayograj Guggul in six commercial batches. Taken together, these analytical methods provide a scientific basis and reference for quality control evaluation of Mahayograj Guggul and similar traditional broad-spectrum formulations.