bluuebunny/crossref_metadata_2025_split huggingface dataset:
Automated mass correction and data interpretation for protein open‐access liquid chromatography‐mass spectrometry
Authors: Wagner Craig D. , Hall John T. , White Wendy L. , Miller Luke A. D. , Williams Jon D. 
Published: January 2007

AbstractCharacterization of recombinant protein purification fractions and final products by liquid chromatography‐mass spectrometry (LC/MS) are requested more frequently each year. A protein open‐access (OA) LC/MS system was developed in our laboratory to meet this demand. This paper compares the system that we originally implemented in our facilities in 2003 to the one now in use, and discusses, in more detail, recent enhancements that have improved its robustness, reliability, and data reporting capabilities. The system utilizes instruments equipped with reversed‐phase chromatography and an orthogonal accelerated time‐of‐flight mass spectrometer fitted with an electrospray source. Sample analysis requests are accomplished using a simple form on a web‐enabled laboratory information management system (LIMS). This distributed form is accessible from any intranet‐connected company desktop computer. Automated data acquisition and processing are performed using a combination of in‐house (OA‐Self Service, OA‐Monitor, and OA‐Analysis Engine) and vendor‐supplied programs (AutoLynx, and OpenLynx) located on acquisition computers and off‐line processing workstations. Analysis results are then reported via the same web‐based LIMS. Also presented are solutions to problems not addressed on commercially available, small‐molecule OA‐LC/MS systems. These include automated transforming of mass‐to‐charge (m/z) spectra to mass spectra and automated data interpretation that considers minor variants to the protein sequence—such as common post‐translational modifications (PTMs). Currently, our protein OA‐LC/MS platform runs on five LC/MS instruments located in three separate GlaxoSmithKline R&D sites in the US and UK. To date, more than 8000 protein OA‐LC/MS samples have been analyzed. With these user friendly and highly automated OA systems in place, mass spectrometry plays a key role in assessing the quality of recombinant proteins, either produced at our facilities or bought from external sources, without dedicating extensive amounts of analyst resource. Copyright © 2007 John Wiley & Sons, Ltd.
Rock hyraces: a cause of San rock art deterioration?
Authors: Prinsloo Linda C. 
Published: January 2007

AbstractSan rock art sites are found throughout southern Africa, many showing signs of deterioration. In order to conserve this invaluable heritage, a long‐term multidisciplinary project has been launched to monitor the rate of their deterioration and determine the various chemical processes that are possibly contributing to the decay. This study was initiated to establish if Raman spectroscopy could contribute to this project and since rock hyrax colonies live in close proximity to many of these archaeological sites, the possible influence of their metabolic products on the deterioration process was investigated.The precipitates from the urine of rock hyraces were analysed with Raman and Fourier‐transform infrared (FTIR) spectroscopy. Where the urine was in contact with the faeces, the precipitates are a mixture of vaterite (a rare polymorph of CaCO3) and the hydrated salt calcium monohydrocalcite (also rarely found in nature). On areas where this contact is at a minimum the common and stable polymorph of CaCO3, calcite, is the main component. SEM micrographs and XRD analysis support the Raman and FTIR results.XRD, FTIR and preliminary GC‐MS analyses of hyraceum, the fossilised mixture of faeces and urine, identified an inorganic phase (potassium chloride, with small concentrations of other salts, e.g. vaterite and weddelite) and an organic phase, which is a cocktail of various aromatic compounds, mainly amides, alcohols and acids. These compounds could contribute to the crystallisation of these rare carbonates, as well as other uncommon salts detected on the cave walls, such as syngenite. The presence of phosphates in the urine may further act as a stabilizing agent. Copyright © 2007 John Wiley & Sons, Ltd.
Raman scattering, luminescence, and absorption edge under hydrostatic pressures of layered BiI3 and SbI3
Authors: Saitoh A. 
Published: January 2007

AbstractRaman scattering from BiI3 and SbI3 crystals has been studied at hydrostatic pressures up to 2 GPa. The wavenumbers monotonically increased with pressure for all modes in BiI3. Although both crystals belong to the same space group, the pressure coefficients of SbI3 were significantly different from those of BiI3. At pressure P0 = 0.92 ± 0.01 GPa, the pressure coefficients of all modes changed. Above P0, all modes in SbI3 had positive pressure coefficients as they have in BiI3. By comparing this unusual behavior of the Raman lines in SbI3 around P0 with the results in BiI3 and comparing the two lattice structures, we suggest that the type of bonding of SbI3 changes to become more ionic and hence more similar to the bonding of BiI3. This change in structure is supported by changes in the bandwidth of the self‐trapped exciton (STE) luminescence and the slope of the absorption edge photon energy versus pressure. Copyright © 2007 John Wiley & Sons, Ltd.
Detection of pig derivatives in food products for halal authentication by polymerase chain reaction –restriction fragment length polymorphism
Authors: Aida Azmi A , Che Man Yaakob B , Raha Abdul R , Son Radu 
Published: January 2007

AbstractA method for detection of the presence of pig derivatives in three types of food products—sausages and casings, bread and biscuits—using polymerase chain reaction–restriction fragment length polymorphism (PCR‐RFLP) analysis of a conserved region in the mitochondrial (mt) cytochrome b (cyt b) gene was developed. Genomic DNA of sausages and casings, bread and biscuits were extracted. The genomic DNA from the food products were found to be of good quality for the sausages and produced clear PCR products on the amplification of the mt cyt b gene of approximately 360 base pairs (bp). However, no genomic DNA was detected from the casing samples and poor quality of genomic DNA was extracted from bread and biscuits. No amplification of mt cyt b gene was produced from bread and biscuit samples. To differentiate between samples, the amplified PCR products were digested with restriction enzyme (RE) BsaJI, resulting in species‐specific RFLP. The cyt b PCR‐RFLP species identification assay gave excellent results for detection of pork adulteration in food products and is a potentially reliable technique to avoid species adulteration or fraudulent species substitution for halal authentication. Copyright © 2006 Society of Chemical Industry
Comparative study of polyphenolic content and antiradical activity of cloudy and clear apple juices
Authors: Oszmianski Jan , Wolniak Michal , Wojdylo Aneta , Wawer Iwona 
Published: January 2007

AbstractClear and cloudy apple juices from Idared and Champion varieties were studied for their radical‐scavenging effects. The polyphenolic content and composition of the juices before and after thiolysis were determined by high‐performance liquid chromatography with diode array detection. Cloudy juices, especially that prepared from Champion variety, had a higher content of procyanidins than clear juices. Radical‐scavenging activity was measured by electron paramagnetic resonance (EPR) spectroscopy using the stable 1,1‐diphenyl‐2‐picrylhydrazyl (DPPH) radical. All juices showed long‐lasting radical‐scavenging activity, and EPR spectra were recorded over time to follow the reaction kinetics. Scavenging of DPPH showed pseudo‐first‐order kinetics, which might be expected in the presence of polymerised antioxidants that prevent closer contact between the DPPH radical and hydroxyl groups. The content of polymeric procyanidins showed a linear dependence on the rate constant, suggesting that these compounds are mainly responsible for time‐extended radical‐scavenging activity. The antioxidant properties of apple juices were much better reproduced by EPR spectroscopy than by UV–visible measurements. The former method is especially sensitive to the concentration of polymerised or bound procyanidins, whilst the latter method requires transparent (clear) samples. Apple juices, especially cloudy ones, are a rich source of natural antioxidants that may be used in the pharmaceutical or food industry. Copyright © 2006 Society of Chemical Industry
Influence of coffee/water ratio on the final quality of espresso coffee
Authors: Andueza Susana , Vila María A , Paz de Peña M , Cid Concepción 
Published: January 2007

AbstractEspresso coffee is a polyphasic beverage in which the physico‐chemical and sensory characteristics obviously depend on both the selection of ground roasted coffee and the technical conditions of the percolation process. The aim of this work was to evaluate the influence of the coffee/water ratio on the physico‐chemical and sensory quality of espresso coffee. Furthermore, the influence of botanical varieties (Arabica and Robusta) and the type of roast (conventional and torrefacto) on the selection of coffee/water ratio was studied. The relationship between pH and the perception of acidity intensity is discussed in relation to the influence of the coffee/water ratio, type of coffee and roast. The optimisation of other technical parameters in previous studies seemed to minimise the influence of an increase in the coffee/water ratio on the extraction of soluble and solid compounds. In fact, only some sensory attributes, such as bitterness, astringency and burnt, acrid and earthy/musty flavours were proposed as relevant to the selection of 6.5 g 40 mL−1 or 7.5 g 40 mL−1 in conventional roasted coffees (Arabica 100% and Robusta blend), and 6.5 g 40 mL−1 in torrefacto roasted coffees. On the other hand, the addition of sugar during the roasting process in torrefacto roast coffees seemed to contribute to a higher generation of acids, melanoidins and other compounds by the Maillard reaction or caramelisation, which led us to select the lowest coffee/water ratio. Copyright © 2006 Society of Chemical Industry
Utilisation of fruit fibres in conventional and reduced‐fat cooked‐meat sausages
Authors: García M Luisa , Cáceres Ester , Selgas M. Dolores 
Published: January 2007

AbstractThe effect of several fruit dietary fibres on the sensory properties of conventional and reduced‐fat cooked‐meat sausages is studied. Fruit fibres were assayed at 15 and 30 g kg−1 concentrations. The energy value reduction of the final products was close to 30%. Instrumental measurements of colour and texture were performed. Sensory properties were estimated by hedonic tests. A correlation principal component analysis was performed. The results of textural analysis showed that the differences between batches were mainly related to the fat content. However, sensory analysis indicated that the most appreciated batches were those manufactured with orange fibre, although their colour was more yellow than the remainder. As a consequence, it is possible to manufacture conventional and hypocaloric cooked sausages containing fruit fibres mainly at a concentration of 15 g kg−1 of fibre and obtain a sensorial acceptable product. Copyright © 2006 Society of Chemical Industry
Prediction of sensory textural properties from rheological analysis for process cheeses varying in emulsifying salt, protein and moisture contents
Authors: Everard Colm D , O'Donnell Colm P , O'Callaghan Donal J , Sheehan Elizabeth M , Delahunty Conor M , O'Kennedy Brendan T , Howard Vincent 
Published: January 2007

AbstractTextural characteristics of process cheeses varying in emulsifying salt (disodium phosphate), protein and moisture contents were evaluated by rheological compression using texture profile analysis and by sensory evaluation. The primary objective of this study was to predict sensory textural parameters using instrumental rheological parameters. All sensory parameters correlated with one or more instrumental parameters, e.g. rheological firmness versus sensory firmness (R = 0.98, P < 0.001), rheological chewiness versus sensory rubbery (R = 0.92, P < 0.001) and rheological chewiness versus sensory chewy (R = 0.86, P < 0.001). Partial least squares calibration models were developed for each of nine sensory parameters using instrumental parameters. Principal component analysis of instrumental and sensory parameters illustrated relationships among parameters. It was shown that instrumental parameters could be used to supplement sensory evaluation of process cheese texture. Increasing emulsifying salt content increased firmness, springiness and chewiness and decreased adhesiveness, mouthcoating and mass formation. Increasing protein content resulted in increased fracture strain and stress and chewiness and decreased melting. Increasing moisture content increased cohesiveness and decreased firmness and chewiness. Copyright © 2007 Society of Chemical Industry
Semi‐dilute solutions of hydroxypropyl guar gum: Viscosity behaviour and thixotropic properties
Authors: Zhang Li‐Ming , Kong Tao , Hui Peter S 
Published: January 2007

AbstractSemi‐dilute solutions of hydroxypropyl guar gum (HPGG), the most widely used derivative of naturally occurring guar galactomannan, were investigated with respect to their viscosity, yield stress and thixotropy. It was found that the shear‐dependent viscosity behaviour under various HPGG concentrations, added salts and temperature could be well described by the Cross viscosity model. The zero‐shear‐rate viscosity was observed to change with HPGG concentration according to a power‐law function, and decease with the increase of temperature according to an Arrhenius‐type equation. The addition of salts (KCl and CaCl2) lowered the zero‐shear‐rate viscosity. The HPGG solutions of high concentration showed a higher degree of thixotropy while the addition of salt lowered the thixotropic property. Copyright © 2007 Society of Chemical Industry
NMR assignments of unusual flavonoids from the kino of Eucalyptus citriodora
Authors: Freitas Marinalva Oliveira , Lima Mary Anne S. , Silveira Edilberto R. 
Published: January 2007

AbstractTwo unusual flavonoids, 3,5,4′,5″‐tetrahydroxy‐7‐methoxy‐6‐[1‐(p‐hydroxy‐phenyl)ethyl]flavanone (1) and 3,5,7,4′,5″‐pentahydroxy‐6‐[1‐(p‐hydroxy‐phenyl)ethyl] flavanone (2), were isolated from the kino of Eucalyptus citriodora. Structural elucidation of the new compounds were established on the basis of spectral data, particularly by the use of 1D NMR and several 2D shift‐correlated NMR pulse sequences (1H, 1H‐COSY, HMQC, HMBC). Copyright © 2007 John Wiley & Sons, Ltd.
Complete 1H and 13C NMR assignments of the epimeric menthane‐1‐carboxylic acids
Authors: Dillner Debra K. , Traficante Daniel D. 
Published: January 2007

AbstractComplete NMR analyses with full assignments for 1H and 13C NMR spectral data for both epimers of menthane‐1‐carboxylic acid are described. The NMR properties of the recently synthesized axial isomer had not been previously described, and through use of a variety of 1D and 2D techniques, additional information is provided for the equatorial isomer. As well as assignments of chemical shifts, homonuclear coupling constants were determined for the equatorial isomer and most of coupling constants were measured for the axial isomer. Published in 2007 by John Wiley & Sons, Ltd.
Saturated amine oxides: Part 8†. Hydroacridines: Part 27‡. Effects of N‐oxidation and of N‐quaternization on the 15N NMR chemical shifts of N‐methylpiperidine‐derived mono‐, bi‐, and tricycloaliphatic tertiary amines
Authors: Potmischil Francisc , Duddeck Helmut , Nicolescu Alina , Deleanu Calin 
Published: January 2007

AbstractThe 15N chemical shifts of 13 N‐methylpiperidine‐derived mono‐, bi‐ and tricycloaliphatic tertiary amines, their methiodides and their N‐epimeric pairs of N‐oxides were measured, and the contributions of specific structural parameters to the chemical shifts were determined by multilinear regression analysis. Within the examined compounds, the effects of N‐oxidation upon the 15N chemical shifts of the amines vary from +56 ppm to +90 ppm (deshielding), of which approx. +67.7 ppm is due to the inductive effect of the incoming N+O− oxygen atom, whereas the rest is due to the additive shift effects of the various C‐alkyl substituents of the piperidine ring. The effects of quaternization vary from −3.1 ppm to +29.3 ppm, of which approx. +8.9 ppm is due to the inductive effect of the incoming N+CH3 methyl group, and the rest is due to the additive shift effects of the various C‐alkyl substituents of the piperidine ring. The shift effects of the C‐alkyl substituents in the amines, the N‐oxides and the methiodides are discussed. Copyright © 2007 John Wiley & Sons, Ltd.
Lifestyle, occupation, and whole bone morphology of the pre‐Hispanic Maya coastal population from Xcambó, Yucatan, Mexico
Authors: Wanner Isabel S. , Sosa Thelma Sierra , Alt Kurt W. , Blos Vera Tiesler 
Published: January 2007

AbstractThe present bioarchaeological study examines the external diaphyseal geometric properties of humeri, radii, femora and tibiae of the Classic period skeletal population of Xcambó, Yucatan, Mexico. The diaphysial proportions are evaluated using a biomechanical approach together with data from the material context and other osteological information. Our intent is to provide new answers to questions concerning lifestyle, domestic labour division and subsistence strategies of this coastal Maya settlement that was inhabited from the Late and Terminal Preclassic (300 BC–350 AD) to the Postclassic Period (900–1500 AD).Our results provide evidence for a marked sexual division of labour when compared with values from contemporaneous inland populations. The overall male and female loading patterns differ remarkably in terms of form and in bilateral comparison. A high directional asymmetry in the upper limbs is evident among males, a condition related to maritime transportation and trading activities. On the other hand, female upper limbs are characterized by very low side differences. Forces on the arms of women were probably dominated by food processing, in particular the grinding of grains or seeds. In the lower limbs, males show significantly higher anteroposterior bending strengths, which can be explained by greater engagement in transportation tasks and carrying heavy loads. In the course of the Classic period (350–900 AD), diachronic changes affect the male sample only, which suggests a shift of occupational pattern and physical demands. This shift, in turn, reflects Xcambó's changing role as the centre of a densifying settlement area and its place in the trading activities of northern Yucatan. Other topics of discussion relate to general regional trends and local prehispanic subsistence strategies. Our conclusions emphasize the value of geometric long bone analysis in the reconstruction of activity patterns and lifestyles in ancient coastal settlements. Copyright © 2007 John Wiley & Sons, Ltd.
Treatment decision difficulties and post‐operative distress predict persistence of psychological morbidity in Chinese women following breast cancer surgery
Authors: Lam Wendy WT , Chan Miranda , Ka Hung Wai , Fielding Richard 
Published: January 2007

AbstractBackground: The patterns and determinants of longer‐term psychological morbidity in women following breast cancer surgery have not been described for Chinese populations.Methods: Chinese women were assessed at 3‐days, 4‐months and 8‐months following breast surgery, on treatment decision‐making difficulty (TDMD), satisfaction with treatment outcome (E‐OI), self efficacy (GSeS), optimism (C‐LOT‐R), consultation satisfaction (C‐MISS‐R), physical symptom distress (PSD) and psychological morbidity (CHQ‐12) and compared using polynomial logistic models.Results: Of 303/405 women providing complete data, 33% received chemotherapy and 26% radiotherapy. GSeS, CLOTR and TDMD scores were moderate. Though the proportion of women meeting psychological morbidity case‐criteria declined from 78% (95% Confidence Interval 73–83%) at Baseline to 64% (59–69%) at 8‐months, almost 50% (44–54%) of women remained distressed over the 8‐month period. After adjustment for demographic and clinical factors, severity of psychological morbidity at 4‐months was predicted by PSD, disappointment and higher Baseline CHQ12, and among moderate/severe cases only, greater TDMD and pessimistic outlook. At 8‐months, CHQ12 scores were predicted by PSD, Baseline CHQ‐12, and difficulties with TDM.Conclusion: TDM difficulties, early post‐surgical psychological and physical symptom distress indicate risk for prolonged distress in Chinese women following breast cancer surgery. Copyright © 2007 John Wiley & Sons, Ltd.
Assessment of the importance of glenohumeral peripheral mechanics by practicing physiotherapists
Authors: Kirby Kenneth , Showalter Chris , Cook Chad 
Published: January 2007

AbstractBackground and Purpose. Physiotherapists develop clinical reasoning theories and applied manual therapy skills through a variety of educational exposures. No studies have assessed the importance of selected theories such as the convex–concave rule, capsular pattern and scapulohumeral rhythm during clinical decision‐making by physiotherapists. The present study investigated which variables physiotherapists considered were associated with the importance of these theories during practice and investigated physiotherapists' perception of translational motion biomechanics of the glenohumeral (GH) joint. Method. Six hundred and sixty physiotherapists in the USA volunteered to participate in this study. Using ologit regression analyses, the identifier themes and clinical background characteristics were associated with importance of peripheral biomechanics in manual therapy application and reliability/validity of the scapulohumeral rhythm theory in predicting pathological sequences of the shoulder complex. An intraclass correlation coefficient (ICC) was used to determine agreement regarding necessary translation of the GH joint for normal movement. Results. The majority of physiotherapists indicated that all theories were important or very important during treatment decision‐making and reported frequent utilization. Regression models identified that the importance placed on peripheral biomechanics was negatively influenced by academic qualification (bachelors and masters degrees) and gender (men were less likely to report that scapulohumeral rhythm was a reliable/valid predictor of shoulder pathology). ICC values identified excellent agreement among clinicians regarding translational motion. Conclusions. The importance of biomechanics of the periphery for use, validation and frequency was based heavily on adoption of selected theories of glenohumeral movements despite evidence that suggests the theories lack validity. Copyright © 2007 John Wiley & Sons, Ltd.