bluuebunny/crossref_metadata_2025 huggingface dataset:
COMPARATIVE ACUTE AND CHRONIC SENSITIVITY OF FISH AND AMPHIBIANS: A CRITICAL REVIEW OF DATA
Authors: Weltje Lennart , Simpson Peter , Gross Melanie , Crane Mark , Wheeler James R.
Published: February 2013

The relative sensitivity of amphibians to chemicals in the environment, including plant protection product active substances, is the subject of ongoing scientific debate. The objective of this study was to compare systematically the relative sensitivity of amphibians and fish to chemicals. Acute and chronic toxicity data were obtained from the U.S. Environmental Protection Agency (U.S. EPA) ECOTOX database and were supplemented with data from the scientific and regulatory literature. The overall outcome is that fish and amphibian toxicity data are highly correlated and that fish are more sensitive (both acute and chronic) than amphibians. In terms of acute sensitivity, amphibians were between 10- and 100-fold more sensitive than fish for only four of 55 chemicals and more than 100-fold more sensitive for only two chemicals. However, a detailed inspection of these cases showed a similar acute sensitivity of fish and amphibians. Chronic toxicity data for fish were available for 52 chemicals. Amphibians were between 10- and 100-fold more sensitive than fish for only two substances (carbaryl and dexamethasone) and greater than 100-fold more sensitive for only a single chemical (sodium perchlorate). The comparison for carbaryl was subsequently determined to be unreliable and that for sodium perchlorate is a potential artifact of the exposure medium. Only a substance such as dexamethasone, which interferes with a specific aspect of amphibian metamorphosis, might not be detected using fish tests. However, several other compounds known to influence amphibian metamorphosis were included in the analysis, and these did not affect amphibians disproportionately. These analyses suggest that additional amphibian testing is not necessary during chemical risk assessment. Environ. Toxicol. Chem. 2013;32:984–994. © 2013 SETAC
USING CONDITIONAL INFERENCE TREES AND RANDOM FORESTS TO PREDICT THE BIOACCUMULATION POTENTIAL OF ORGANIC CHEMICALS
Authors: Strempel Sebastian , Nendza Monika , Scheringer Martin , Hungerbühler Konrad
Published: February 2013

The present study presents a data-oriented, tiered approach to assessing the bioaccumulation potential of chemicals according to the European chemicals regulation on Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH). The authors compiled data for eight physicochemical descriptors (partition coefficients, degradation half-lives, polarity, and so forth) for a set of 713 organic chemicals for which experimental values of the bioconcentration factor (BCF) are available. The authors employed supervised machine learning methods (conditional inference trees and random forests) to derive relationships between the physicochemical descriptors and the BCF values. In a first tier, the authors established rules for classifying a chemical as bioaccumulative (B) or nonbioaccumulative (non-B). In a second tier, the authors developed a new tool for estimating numerical BCF values. For both cases the optimal set of relevant descriptors was determined; these are biotransformation half-life and octanol–water distribution coefficient (log D) for the classification rules and log D, biotransformation half-life, and topological polar surface area for the BCF estimation tool. The uncertainty of the BCF estimates obtained with the new estimation tool was quantified by comparing the estimated and experimental BCF values of the 713 chemicals. Comparison with existing BCF estimation methods indicates that the performance of this new BCF estimation tool is at least as high as that of existing methods. The authors recommend the present study's classification rules and BCF estimation tool for a consensus application in combination with existing BCF estimation methods. Environ Toxicol Chem 2013;32:1187–1195. © 2013 SETAC
Validation of a malodour‐forming enzyme as a target for deodorant actives: in vivo testing of a glutamine conjugate targeting a corynebacterial Nα‐acyl‐glutamine‐aminoacylase
Authors: Natsch Andreas , Joubert Caroline , Cella Mauricio , Flachsmann Felix , Geffroy Cedric
Published: February 2013

The chemical structure of human body odorants and the enzymatic pathways for their release from amino acid conjugates by skin bacteria have been elucidated in recent years. These findings open up theoretical avenues for an added layer of malodour prevention by blocking the cleavage of malodour precursors. Previously, we had validated in vitro an alternative substrate that releases a fragrance molecule instead of a malodour acid upon the action of a corynebacterial Nα‐acyl‐glutamine‐aminoacylase. In order to assess whether this concept delivers a perceivable reduction of malodour in vivo, a number of studies were performed: (1) a controlled clinical study with expert assessment, (2) a blinded study with consumer self‐assessment of a placebo versus an active formulation in left–right comparison, and (3) a longitudinal consumer study comparing two doses of the active versus a placebo formulation. A statistically significant benefit for malodour reduction was observed in all three studies, this benefit consistently seen on panellists with a higher self‐ or expert‐perceived malodour, whereas there was no difference in panellists with a lower level of malodour formation. In addition, malodour formation was higher in panellists with noticeable cleavage of the alternative substrate, indicating a correlation between enzyme activity and malodour levels. These results indicate that the targeted enzyme is a relevant source of malodour on panellists suffering from strong body odour, and that malodour reduction on these panellists is possible by specifically targeting this enzyme. Whereas the absolute reduction of malodour with the tested substrates was relatively small, the studies presented here clearly validate Nα‐acyl‐glutamine‐aminoacylase as a target for deodorant actives, and they demonstrate that a significant benefit can be achieved especially in individuals developing stronger axillary odour. Copyright © 2013 John Wiley & Sons, Ltd.
Chronic ethanol exposure increases goosecoid (GSC) expression in human embryonic carcinoma cell differentiation
Authors: Halder Debasish , Park Ji Hyun , Choi Mi Ran , Chai Jin Choul , Lee Young Seek , Mandal Chanchal , Jung Kyoung Hwa , Chai Young Gyu
Published: February 2013

Fetal alcohol spectrum disorder (FASD) is a set of developmental malformations caused by excess alcohol consumption during pregnancy. Using an in vitro system, we examined the role that chronic ethanol (EtOH) exposure plays in gene expression changes during the early stage of embryonic differentiation. We demonstrated that EtOH affected the cell morphology, cell cycle progression and also delayed the down‐regulation of OCT4 and NANOG during differentiation. Gene expression profiling and pathway analysis demonstrated that EtOH deregulates many genes and pathways that are involved in early embryogenesis. Follow‐up analyzes revealed that EtOH exposure to embryoid bodies (EBs) induced the expression of an organizer‐specific gene, goosecoid (GSC), in comparison to controls. Moreover, EtOH treatment altered several important genes that are involved in embryonic structure formation, nervous system development, and placental and embryonic vascularization, which are all common processes that FASD can disrupt. Specifically, EtOH treatment let to a reduction in ALDOC, ENO2 and CDH1 expression, whereas EtOH treatment induced the expression of PTCH1, EGLN1, VEGFA and DEC2 in treated EBs. We also found that folic acid (FA) treatment was able to correct the expression of the majority of genes deregulated by EtOH exposure during early embryo development. Finally, the present study identified a gene set including GSC, which was deregulated by EtOH exposure that may contribute to the etiology of fetal alcohol syndrome (FAS). We also reported that EtOH‐induced GSC expression is mediated by Nodal signaling, which may provide a new avenue for analyzing the molecular mechanisms behind EtOH teratogenicity in FASD individuals. Copyright © 2013 John Wiley & Sons, Ltd.
Chronic Ethanol Exposure Increases Cytochrome P‐450 and Decreases Activated in Blocked Unfolded Protein Response Gene Family Transcripts in Caenorhabditis elegans
Authors: Peltonen Juhani , Aarnio Vuokko , Heikkinen Liisa , Lakso Merja , Wong Garry
Published: February 2013

Ethanol is a widely consumed and rapidly absorbed toxin. While the physiological effects of ethanol consumption are well known, the underlying biochemical and molecular changes at the gene expression level in whole animals remain obscure. We exposed the model organism Caenorhabditis elegans to 0.2 M ethanol from the embryo to L4 larva stage and assayed gene expression changes in whole animals using RNA‐Seq and quantitative real‐time PCR. We observed gene expression changes in 1122 genes (411 up, 711 down). Cytochrome P‐450 (CYP) gene family members (12 of 78) were upregulated, whereas activated in blocked unfolded protein response (ABU) (7 of 15) were downregulated. Other detoxification gene family members were also regulated including four glutathione‐S‐transferases and three flavin monooxygenases. The results presented show specific gene expression changes following chronic ethanol exposure in C. elegans that indicate both persistent upregulation of detoxification response genes and downregulation of endoplasmic reticulum stress pathway genes.
Evidence of a Pronounced Preference for Therapy Guided by Common Factors
Authors: Swan Lawton K. , Heesacker Martin
Published: February 2013

Objective

Recent evidence presented in this journal (Swift & Callahan, 2010) suggests that psychotherapy clients may place more value on nonspecific common factors—such as a warm and relatable therapist—than on the level of empirical support for a particular intervention. The present study investigated the possibility that this trend would also extend to those who have never received professional psychological help.

Method

Three hundred and twenty‐nine adults from across the United States (60.2% female, mean age = 35.92) each rated their attitudes toward seeking two varieties of psychotherapy: one emphasizing nonspecific common factors, and one emphasizing specific evidence‐based therapy ingredients.

Results

Analyses revealed a pronounced preference for therapy guided by common factors among clients and nonclients alike, even when controlling for a host of individual difference variables.

Conclusions

These data conceptually replicate Swift and Callahan's findings and indicate that potential clients may seek help more readily from providers who accentuate the nonspecific aspects of therapy.
Effect of influent C/N ratio on nitrogen removal using PHB as electron donor in a post‐denitritation SBR
Authors: Zhu Ru‐long , Wang Shu‐ying , Li Jun , Wang Kai , Miao Lei , Ma Bin , Gong Ling‐xiao , Peng Yong‐zhen
Published: February 2013

Background

The post‐denitritation sequencing batch reactor (SBR) is widely‐used and can achieve high levels of nitrogen removal. In this study the effect of influent COD/TN (total nitrogen) ratio (i.e. C/N ratio) on nitrogen removal performance was investigated.

Results

The experimental results showed that polyhydroxybutyrate (PHB) was the internal carbon source for denitritation, so PHB degradation rate following first‐order kinetics was the rate‐limiting step both for simultaneous nitritation–denitritation (SND) in the substrate famine period of the oxic stage and endogenous denitritation in the anoxic stage. Higher influent C/N ratio resulted in more PHB fractions in microorganisms, which facilitated a higher efficiency of SND and a faster endogenous denitritation rate (DNR). Consequently, mean TN removal ratio in oxic stage dropped from 32.81% to 8.61%, and average endogenous DNR in the anoxic stage fell from 1.50 to 0.27 mgN h‐1 gVSS‐1, when influent C/N ratio changed from 6.82 to 1.89. Furthermore, PHB fraction in the biomass did not drop drastically when influent C/N ratio dropped for a short‐term period, which facilitated better resistance to shock loads.

Conclusion

High influent C/N ration benefits nitrogen removal in this process, and an influent C/N ratio of 4.00 was suitable for advanced nitrogen removal. © 2013 Society of Chemical Industry
Deciphering boulder mobility and erosion from cosmogenic nuclide exposure dating
Authors: Mackey Benjamin H. , Lamb Michael P.
Published: February 2013

Large boulders are prominent features in many geomorphic systems and are frequently targeted for cosmogenic exposure dating. Presently, there are little data or theory predicting exposure age, erosion rate, and mobilization frequency of boulders in environments such as channels, talus slopes, or moraines. Here we explore the potential for cosmogenic isotope analysis to constrain the transport and erosion history of boulders. Through a series of numerical experiments, we model the statistical evolution of nuclide concentrations around the surface of boulders. Stable boulders have distinctive radial distributions of surface concentration in comparison to those that are periodically mobile, and this can be used to establish boulder stability. Mean nuclide accumulation rates around the surface of an eroding boulder increase when the radius is smaller than approximately 1.5 e‐folding lengths (~1.2 m) of neutron flux intensity, whereupon nuclide accumulation on the underside of the boulder becomes non‐negligible (~10%). Model results for cases of no cosmogenic inheritance and uniform erosion indicate the normalized standard deviation of nuclide surface concentration systematically decreases with increasing number of boulder mobilization events. This may be used to constrain the minimum number of times a boulder has moved for up to approximately four events, or distinguish between rarely and frequently mobilized boulders. Using non‐dimensional scaling relations between surface concentration statistics, boulder size, and time, we propose methods to estimate the minimum age, frequency of movement, and erosion rate of mobile boulders with application to a range of geomorphic problems.
Isoscapes of tree‐ring carbon‐13 perform like meteorological networks in predicting regional precipitation patterns
Authors: del Castillo Jorge , Aguilera Mònica , Voltas Jordi , Ferrio Juan Pedro
Published: February 2013

Stable isotopes in tree rings provide climatic information with annual resolution dating back for centuries or even millennia. However, deriving spatially explicit climate models from isotope networks remains challenging. Here we propose a methodology to model regional precipitation from carbon isotope discrimination (Δ13C) in tree rings by (1) building regional spatial models of Δ13C (isoscapes) and (2) deriving precipitation maps from Δ13C‐isoscapes, taking advantage of the response of Δ13C to precipitation in seasonally dry climates. As a case study, we modeled the spatial distribution of mean annual precipitation (MAP) in the northeastern Iberian Peninsula, a region with complex topography and climate (MAP = 303–1086 mm). We compiled wood Δ13C data for two Mediterranean species that exhibit complementary responses to seasonal precipitation (Pinus halepensis Mill., N = 38; Quercus ilex L.; N = 44; pooling period: 1975–2008). By combining multiple regression and geostatistical interpolation, we generated one Δ13 C‐isoscape for each species. A spatial model of MAP was then built as the sum of two complementary maps of seasonal precipitation, each one derived from the corresponding Δ13C‐isoscape (September–November from Q. ilex; December–August from P. halepensis). Our approach showed a predictive power for MAP (RMSE = 84 mm) nearly identical to that obtained by interpolating data directly from a similarly dense network of meteorological stations (RMSE = 80–83 mm, N = 65), being only outperformed when using a much denser meteorological network (RMSE = 56–57 mm, N = 340). This method offers new avenues for modeling spatial variability of past precipitation, exploiting the large amount of information currently available from tree‐ring networks.
Intraseasonal variability of terrestrial biospheric CO2 fluxes over India during summer monsoons.
Authors: Valsala Vinu , Tiwari Yogesh K. , Pillai Prasanth , Roxy Mathew , Maksyutov Shamil , Murtugudde Raghu
Published: February 2013

The intraseasonal oscillations (ISOs) in terrestrial biospheric fluxes of carbondioxide (CO2) over the Indian subcontinent were investigated for the summer monsoon season from June to September. We utilized two optimized datasets of Net Ecosystem Exchange (NEE) fluxes of CO2 at a spatial resolution of 1° × 1° grid and at daily time scale for the years 2000–2009. Seasonally, over the whole of Indian subcontinent, terrestrial biospheric CO2 fluxes were found to be a net source (sink) during June and July (August and September). Intraseasonal variability of CO2 fluxes for the two distinct time scales, 30–60 days and 10–20 days, was extracted with a spectral harmonic filter. The dominant ISO mode in the CO2 flux over India is at a period of 60 days or longer during weak monsoons years but at 10–30 days for strong monsoon years. The ISOs of CO2 flux show coherent structures along with corresponding rainfall ISOs at a 2–3 day lag (CO2 lags rainfall) and nearly 3–4 day lag with ISOs in surface air‐temperature (CO2 lags air‐temperature). The ranges of these lags are consistent in the two data products examined here. The apparent lags between CO2 flux and rainfall ISOs are found to be induced by the temperature effects on net primary production (NPP) and ecosystem respiration (RE). The terrestrial biospheric fluxes over the subcontinent are coherent with the northward propagating summer monsoon ISOs albeit as a combination of rainfall, available radiation, and air‐temperature. The study offers a mechanistic understanding of variability of terrestrial biospheric sources and sinks of CO2 over the Indian subcontinent, in tandem with the intraseasonal variability of the summer monsoon rainfall.
Radiotherapy in the management of early breast cancer
Authors: Wang Wei
Published: February 2013

Radiotherapy is an indispensible part of the management of all stages of breast cancer. In this article, the common indications for radiotherapy in the management of early breast cancer (stages 0, I, and II) are reviewed, including whole‐breast radiotherapy as part of breast‐conserving treatment for early invasive breast cancer and pre‐invasive disease of ductal carcinoma in situ, post‐mastectomy radiotherapy, locoregional radiotherapy, and partial breast irradiation. Key clinical studies that underpin our current practice are discussed briefly.
Mammographic screening for breast cancer: A review
Authors: Lee Warwick , Peters Gudrun
Published: February 2013

In 2011, BreastScreen Australia celebrated 20 years of mammographic screening for breast cancer in Australia. There has been a reduction in mortality from breast cancer over the last two decades, coincident with mammographic screening. However, there are concerns that mammographic screening may result in overdiagnosis of breast cancer and that the reduction in mortality from breast cancer is the result of better treatment rather than screening. This article reviews the evidence on which mammographic screening for breast cancer is based, considers the issue of overdiagnosis of breast cancer by screening mammography, and assesses the role of screening mammography in the reduction in breast cancer mortality seen over the last two decades.
Collision cell pressure effect on CID spectra pattern using triple quadrupole instruments: a RRKM modeling
Authors: Ichou Farid , Lesage Denis , Machuron‐Mandard Xavier , Junot Christophe , Cole Richard B. , Tabet Jean‐Claude
Published: February 2013

Control of the ion internal energy in mass spectrometry is needed to establish a workable mass spectral library. The purpose of this study is to understand and to compare the pressure effects on the collision‐induced dissociation (CID) spectrum pattern recorded using triple quadrupole instruments. The monoprotonated Leucine enkephalin [YGGFL, H+] was used as a thermometer molecule to calibrate the electrospray ionization (ESI) and the CID internal energies deposited on the molecular species and the time scale of ion decompositions. The survival yield and the ratio of a4/b4 fragment ions were mainly monitored. The energy uptake for the ESI source geometry used in our study has no impact on the CID spectrum fingerprint. The collision cell pressure for the [YGGFL, H+] has a major influence on the SY curves slope and on the experimental time scale. To demonstrate the pressure effect on internal energy distribution, three models (threshold, thermal and collisional) based on RRKM theory were built using the Masskinetics software. As a result, the limit of each model is discussed, and the investigation demonstrates that the thermal model, using truncated Maxwell‐Boltzmann internal energy distribution, is well‐suited for simulating the experimental data at high pressure widely used in the analytical conditions. Copyright © 2013 John Wiley & Sons, Ltd.
Induction of protein conformational change inside the charged electrospray droplet
Authors: Banerjee Shibdas
Published: February 2013

The behavior of the analyte molecules inside the neutral core of the charged electrospray (ES) droplet is not unambiguously known to date. The possibility of protein conformational change inside the charged ES droplet has been investigated. The ES droplets encapsulating the protein molecules were exposed to the acetic acid vapor in the ionization chamber to absorb the acetic acid vapor. Because of the faster evaporation of water than that of acetic acid, the droplets became enriched with acetic acid and thus altered the solvent environment (e.g. pH and polarity) of the final charged droplets from where the naked charged analytes (proteins) are formed. Thus, the perturbation of the ES droplet solvent environment resulted in the protein conformational change (unfolding) during the short lifespan of the ES droplet and that is reflected by the multimodal charge state distribution in the corresponding mass spectra. Further, the extent of this conformational change inside the ES droplet was found to be related to the structural flexibility of the protein. Although the protein conformational change inside the ES droplet has been driven by using acetic acid vapor in the present study, the results would help in the near future to understand the spontaneity of the conformational change of the analyte on the millisecond timescale of phase transition in the natural way of ES process. Copyright © 2013 John Wiley & Sons, Ltd.
Liquid chromatography time‐of‐flight mass spectrometry evaluation of fungicides reactivity in free chlorine containing water samples
Authors: Rodríguez‐Cabo T. , Paganini M. , Carpinteiro I. , Fontenla L. , Rodríguez I. , Pietrogrande M. C. , Cela R.
Published: February 2013

Liquid chromatography (LC) combined with tandem mass spectrometry (MS/MS), based on the use of a hybrid quadrupole‐time‐of‐flight mass analyzer, was used to investigate the reactivity of nine fungicides in free chlorine‐containing water samples. Three of the selected compounds (fenhexamid, FEN; pyrimethanil, PYR; and cyprodinil, CYP) displayed a poor stability in presence of moderate chlorine levels; thus, the effects of different parameters on their half‐lives (t1/2) were evaluated. Sample pH, bromide traces, and the water matrix affected their relative stabilities. Despite such variations, the three fungicides are degraded at significant rates not only in ultrapure, but also in surface water spiked with chlorine levels up to 2 µg ml−1, and when mixed with chlorinated tap water, generating several transformation products (TPs). The time‐course of precursor species and their TPs was followed in the LC‐MS mode, using the information contained in accurate, full scan mass spectra (MS) to propose the empirical formulae of TPs. Thereafter, their ion product scan (MS/MS) spectra were considered to set their chemical structures; allowing, in some cases, to distinguish between isomeric TPs. The reaction pathway of FEN, the less stable fungicide, involved just an electrophilic substitution of hydrogen per chlorine, or bromine, and cleavage of the molecule to render an amide. PYR and CYP shared common reaction routes consisting of halogenation, hydroxylation, and condensation processes leading to complex mixtures of TPs, which were relatively stable to further transformations. Copyright © 2013 John Wiley & Sons, Ltd.
True ion pick (TIPick): a denoising and peak picking algorithm to extract ion signals from liquid chromatography/mass spectrometry data
Authors: Ho Tsung‐Jung , Kuo Ching‐Hua , Wang San‐Yuan , Chen Guan‐Yuan , Tseng Yufeng J.
Published: February 2013

Liquid Chromatography ‐ Time of Flight Mass Spectrometry has become an important technique for toxicological screening and metabolomics. We describe TIPick a novel algorithm that accurately and sensitively detects target compounds in biological samples. TIPick comprises two main steps: background subtraction and peak picking. By subtracting a blank chromatogram, TIPick eliminates chemical signals of blank injections and reduces false positive results. TIPick detects peaks by calculating the S(CCINI) values of extracted ion chromatograms (EICs) without considering peak shapes, and it is able to detect tailing and fronting peaks. TIPick also uses duplicate injections to enhance the signals of the peaks and thus improve the peak detection power. Commonly seen split peaks caused by either saturation of the mass spectrometer detector or a mathematical background subtraction algorithm can be resolved by adjusting the mass error tolerance of the EICs and by comparing the EICs before and after background subtraction. The performance of TIPick was tested in a data set containing 297 standard mixtures; the recall, precision and F‐score were 0.99, 0.97 and 0.98, respectively. TIPick was successfully used to construct and analyze the NTU MetaCore metabolomics chemical standards library, and it was applied for toxicological screening and metabolomics studies. Copyright © 2013 John Wiley & Sons, Ltd.
How career orientation shapes the job satisfaction–turnover intention link
Authors: Tschopp Cécile , Grote Gudela , Gerber Marius
Published: February 2013

This study examined the impact of career orientation on the static and dynamic relationships between job satisfaction and turnover intention. Longitudinal data of 255 employees were collected at three waves of measurement 1 year apart. Results for career orientations as a moderator differed between the static and dynamic job satisfaction–turnover links. The static relationship was found to be similar and less negative for employees with independent and loyalty‐focused career orientations than for promotion‐focused and disengaged employees. Regarding the dynamic relationship between job satisfaction change and turnover intention change, however, independent and loyalty‐focused employees differed: An increase (decline) in job satisfaction was more strongly related to a decline (increase) in turnover intention for independent employees than for loyalty‐focused employees. These findings provide new insights into the differential dynamics involved in assessing work situations and responding to them based on different career aspirations and interests. Consequences for research and practice regarding more effective human resource management are discussed. Copyright © 2013 John Wiley & Sons, Ltd.
High‐resolution Raman spectroscopy of ν2 and associated hot bands of 13CH12CH: global analysis of the anharmonic resonances
Authors: Martínez Raúl Z. , Bermejo Dionisio , Lonardo Gianfranco Di , Fusina Luciano
Published: February 2013

The Raman spectrum of the 13CH12CH molecule in the region of its ν2 vibrational band was recorded at a resolution of 2.6 × 10−3 cm−1 and analyzed. Several Q branches were observed and identified, corresponding to the ν2 fundamental and the associated hot bands ν2 + ν4 – ν4, ν2 + ν5 – ν5, ν2 + 2ν4 – 2ν4 and 2ν2 – ν2. The usual normal modes of vibration in acetylene, with the symmetric (ν1) and antisymmetric (ν3) CH stretchings, the CC stretching (ν2), the degenerate trans (ν4) and cis (ν5) bendings were adopted. All the spectra were obtained using the experimental technique of quasi‐continuous stimulated Raman spectroscopy. The fundamental ν2 band and the ν2 + ν4 – ν4 and ν2 + ν5 – ν5 hot bands were recorded at room temperature, while ν2 + 2ν4 – 2ν4 was recorded at a temperature of 355 K. Finally, the spectrum of the 2ν2 – ν2 band was recorded at 170 K using a Raman‐Raman double resonance technique in which a stimulated Raman pumping process is used to populate a single rotational level of the v2 = 1 state, prior to the spectroscopy stage. A 15 ns delay between pump and spectroscopy is introduced to allow partial collisional relaxation of the rotational population of v2 = 1 among rotational levels. The assigned Raman transitions and several previously observed infrared bands have been simultaneously fitted in order to derive a set of deperturbed molecular parameters, including the quartic anharmonic coupling coefficients K1,255 and K3,245. The ro‐vibrational pattern of the stretching and stretching‐bending combination states and an accurate description of the anharmonic resonances in this molecule have been obtained. Copyright © 2013 John Wiley & Sons, Ltd.
Hyper‐Raman and Raman scattering in paratellurite TeO2
Authors: Rodriguez Vincent , Couzi Michel , Adamietz Frédéric , Dussauze Marc , Guery Guillaume , Cardinal Thierry , Veber Philippe , Richardson Kathleen , Thomas Philippe
Published: February 2013

Raman spectra of the tetragonal structure of paratellurite TeO2 have been revisited avoiding anomalous polarization‐selection‐rules violations previously observed and due to optical activity. We present a complementary hyper‐Raman scattering study of paratellurite. Wavenumber and symmetry assignments are given for all expected 21 Raman active optical branches, except one LO component (out of the eight expected TO–LO pairs) of the polar doublet E modes. Also, the four expected hyper‐Raman active A2 (TO) modes have been observed. Moreover, we have observed a strong Kleinman‐disallowed hyper‐Rayleigh signal, which is tentatively assigned as a first evidence of hyper‐Rayleigh optical activity. Copyright © 2013 John Wiley & Sons, Ltd.
Reflective mulch enhances ripening and health compounds in apple fruit
Authors: Overbeck Verena , Schmitz‐Eiberger Michaela A , Blanke Michael M
Published: February 2013

BACKGROUND

The objective of the study was to improve fruit quality, including health compounds, by improving light utilization for fruit crops under hail net. Four reflective mulches including plastics such as Extenday® and a bio‐degradable paper were spread in the alleyways of a cv. ‘Gala Mondial’ apple orchard on 10 August 2010 5 weeks before anticipated harvest.

RESULTS

Reflective mulch affected neither fruit firmness nor sugar, but accelerated starch breakdown, indicative of riper fruits (smaller Streif index), compared with the uncovered grass alleyway (control). Reflective mulches also improved fruit quality such as red coloration of cv. ‘Gala Mondial’ apples. This was due to significantly enhanced flavonoids and anthocyanins. Flavonoids increased up to 52.4% in the Extenday® treatment (29.2 nmol cm−2 in the grass control versus 44.5 nmol cm−2 fruit peel with reflective mulch). Similarly, reflective mulch improved anthocyanin content in cv. ‘Gala Mondial’ peel up to 66% compared to grass control (14.5 nmol cm−2 in control fruit versus 24.1 nmol cm−2 with reflective mulch). The reflective mulch did not affect chlorophyll and carotenoid content in the ‘Gala’ fruit peel.

CONCLUSION

Overall, the application of reflective mulches improved fruit quality in terms of better coloration and health compounds and accelerated ripening, leading to higher market value. © 2013 Society of Chemical Industry
Effect of alternative postharvest control treatments on the storability of ‘Golden Delicious’ apples
Authors: Moscetti Roberto , Carletti Letizia , Monarca Danilo , Cecchini Massimo , Stella Elisabetta , Massantini Riccardo
Published: February 2013

Background

Apples are subject to a high degree of fungal diseases, but the use of synthetic fungicides has been questioned because of public safety concerns, social rejection, and the development of resistance in pathogens. Thus, development of new postharvest treatments against apple fungal pathogens is necessary. Most studies have reported their effectiveness, but not all report the effects on the quality and storability of the fruit. In this study, the effects of physical (hot water), chemical (quercetin) and biological (yeast antagonist) microfungal control on the quality of ‘Golden Delicious’ apple during storage at 2 ± 0.5 °C, and 90 ± 2% of relative humidity, for 2 months were investigated and compared.

Results

Heat‐treated apples exhibited peel fruit damage (surface browning and internal breakdown disorders) and promoted ripening in the fruit. The quercetin caustic spray caused the development of peel chemical burn in all treated fruit. Both yeast antagonist and quercetin treatments did not affect the apple ripening process but stimulated an increase in ethylene production and in respiratory activity.

Conclusion

The data indicated that the effects on quality and storability were dependent on the method of treatment used, and antagonistic yeast was the best microfungal control because of it did not cause any disorders or negative effects on apple quality during storage. © 2013 Society of Chemical Industry
Chemical composition and bioactivity of different oregano (Origanum vulgare) extracts and essential oil
Authors: Teixeira Bárbara , Marques António , Ramos Cristina , Serrano Carmo , Matos Olívia , Neng Nuno R , Nogueira José M F , Saraiva Jorge Alexandre , Nunes Maria Leonor
Published: February 2013

BACKGROUND

There is a growing interest in industry to replace synthetic chemicals by natural products with bioactive properties. Aromatic plants are excellent sources of bioactive compounds that can be extracted using several processes. As far as oregano is concerned, studies are lacking addressing the effect of extraction processes in bioactivity of extracts. This study aimed to characterise the in vitro antioxidant and antibacterial properties of oregano (Origanum vulgare) essential oil and extracts (in hot and cold water, and ethanol), and the chemical composition of its essential oil.

RESULTS

The major components of oregano essential oil were carvacrol, β‐fenchyl alcohol, thymol, and γ‐terpinene. Hot water extract had the strongest antioxidant properties and the highest phenolic content. All extracts were ineffective in inhibiting the growth of the seven tested bacteria. In contrast, the essential oil inhibited the growth of all bacteria, causing greater reductions on both Listeria strains (L. monocytogenes and L. innocua).

CONCLUSION

O. vulgare extracts and essential oil from Portuguese origin are strong candidates to replace synthetic chemicals used by the industry. © 2013 Society of Chemical Industry
A perceived sharpness metric based on the luminance slope and overshoot of the motion‐induced edge‐blur profile
Authors: Cui Yuan , Song Wen , Li Xiaohua
Published: February 2013

To reduce perceived motion blur on liquid crystal displays, typically various techniques such as overdrive, scanning backlight, black‐data insertion, black‐field insertion, and frame rate up‐conversion are widely employed by the liquid crystal display industry. These techniques aim to steepen the edge transitions by improving the dynamic behavior of the light modulation. However, depending on the implementation, this may result in the perception of irregularly shaped motion‐induced edge‐blur profiles. It is not yet fully understood how these irregularities in the steepened edge‐blur profiles contribute to the perceived sharpness of moving objects. To better understand the consequences of several motion‐blur reduction techniques, a perception experiment is designed to evaluate the perceived sharpness of typical motion‐induced edge‐blur profiles at several contrast levels. Relevant characteristics of these profiles are determined on the basis of the perception results by means of regression analysis. As a result, a sharpness metric with two parameters is established, where one parameter relates to the edge slope and the other to the overshoot/undershoot part of the motion‐induced edge‐blur profile.
A variability study of regional alveolar oxygen tension measurement in humans using hyperpolarized 3He MRI
Authors: Hamedani Hooman , Kadlecek Stephen J. , Ishii Masaru , Emami Kiarash , Kuzma Nicholas N. , Xin Yi , Rossman Milton , Rizi Rahim R.
Published: February 2013

Purpose

A systematic study of the short‐term and long‐term variability of regional alveolar partial pressure of oxygen tension (pAO2) measurements using 3He magnetic resonance imaging was presented. Additionally, the repeatability of the average evaluated pAO2 was compared with that of the standard pulmonary function tests.

Methods

Pulmonary function test and pAO2 imaging were performed on 4 nonsmokers (1 M, 3 F, 56 ± 1.7 years) and 4 smokers (3 M, 1 F, 52 ± 7.5 years) during three visits over the course of 2 weeks. Two measurements were performed per visit. Variability of pAO2 was assessed using a mixed‐effect model, with an intraclass correlation coefficient calculated for each group. The coefficient of variation of pAO2 over the 3‐day period was also compared with the coefficient of variation of pulmonary function test results.

Results

Short‐term regional variability based on intraclass correlation coefficient was 0.71 for nonsmokers, and 0.63 for smokers, with long‐term variability significantly lower at 0.59 and 0.47, respectively. While the coefficient of variation of the average pAO2 was similar to the repeatability of the diffusing capacity of CO, it was significantly higher than that of Forced Vital Capacity (P = 0.02).

Conclusion

Short‐term and long‐term pAO2 variability differences were used as an indication of true physiological changes in order to measure technical reproducibility. Smokers show higher physiologic variability and less technical reproducibility. The suggested pAO2‐imaging technique showed a reasonable regional repeatability in nonsmokers as well as the ability to detect differences between the two groups with similar reproducibility and superior discriminatory ability when compared with pulmonary function tests. Magn Reson Med 70:1557–1566, 2013. © 2013 Wiley Periodicals, Inc.
Dynamic imaging of the fetal heart using metric optimized gating
Authors: Roy Christopher W. , Seed Mike , van Amerom Joshua F. P. , Al Nafisi Bahiyah , Grosse‐Wortmann Lars , Yoo Shi‐Joon , Macgowan Christopher K.
Published: February 2013

Purpose

Advances in fetal cardiovascular magnetic resonance imaging have been limited by the absence of a reliable cardiac gating signal. The purpose of this work was to develop and validate metric‐optimized gating (MOG) for cine imaging of the fetal heart.

Theory and Methods

Cine MR and electrocardiogram data were acquired in healthy adult volunteers for validation of the MOG method. Comparison of MOG and electrocardiogram reconstructions was performed based on the image quality for each method, and the difference between MOG and electrocardiogram trigger times. Fetal images were also acquired, their quality evaluated by experienced radiologists, and the theoretical error in the MOG trigger times were calculated.

Results

Excellent agreement between electrocardiogram and MOG reconstructions was observed. The experimental errors in adult MOG trigger times for all five volunteers were ± (7, 25, 17, 8, and 13) ms. Fetal images captured normal and diseased cardiac dynamics.

Conclusion

MOG for cine imaging of the fetal myocardium was developed and validated in adults. Using MOG, the first gated MR images of the human fetal myocardium were obtained. Small moving structures were visualized during radial contraction, thus capturing normal fetal cardiac wall motion and permitting assessment of cardiac function. Magn Reson Med 70:1598–1607, 2013. © 2013 Wiley Periodicals, Inc.
Subcutaneous panniculitis‐like T‐cell lymphoma in the pediatric age group: A lymphoma of low malignant potential
Authors: Huppmann Alison R. , Xi Liqiang , Raffeld Mark , Pittaluga Stefania , Jaffe Elaine S.
Published: February 2013

Background

Subcutaneous panniculitis‐like T‐cell lymphoma (SPTCL) is a rare neoplasm of mature αβ cytotoxic T‐cells. Most commonly occurring in young adults, few reports are described in children. A separate analysis of a significant cohort of pediatric patients has not previously been performed.

Procedure

We analyzed the pathology including molecular results as well as available clinical data from 16 pediatric patients (age 5 months to 21 years) who had a total of 19 biopsies submitted to the National Cancer Institute from 1999 to 2011. This included 6 males and 10 females.

Results

Most patients (10/16, 62.5%) had multiple skin lesions at the time of biopsy. Histologic features included rimming of adipocytes by atypical lymphocytes, fat necrosis, and karyorrhectic debris. Four biopsies showed only partial involvement by lymphoma; and plasma cells were identified in 14/19 (74%) cases, including three in which they were focally prominent. The neoplastic cells in general were positive for CD3, CD8, TIA‐1, and βF1 and were negative for CD4 and CD56. CD5 expression was weak to negative in 5/8 cases (63%). A clonal T‐cell receptor gene rearrangement was demonstrated in 11/17 (65%). Patients were treated with a variety of agents. While 5/9 (56%) patients had evidence of recurrent skin lesions, no deaths were attributed to disease for the seven patients with follow‐up information.

Conclusions

Pediatric SPTCL shares many clinical and pathologic features with adult SPTCL. The presence of partial involvement or admixed plasma cells makes the differential diagnosis with reactive conditions challenging in some cases. Pediatr Blood Cancer 2013; 60: 1165–1170. © 2013 Wiley Periodicals, Inc.
Persistent defective membrane trafficking in epithelial cells of patients with familial hemophagocytic lymphohistiocytosis type 5 due to STXBP2/MUNC18‐2 mutations
Authors: Stepensky Polina , Bartram Jack , Barth Thomas F. , Lehmberg Kai , Walther Paul , Amann Kerstin , Philips Alan D. , Beringer Ortraud , Zur Stadt Udo , Schulz Ansgar , Amrolia Persis , Weintraub Michael , Debatin Klaus‐Michael , Hoenig Manfred , Posovszky Carsten
Published: February 2013

Background

Familial hemophagocytic lymphohistiocytosis (FHL) is a rare primary immune disorder defined by mutations in the syntaxin binding protein 2 (STXBP2) alias MUNC18‐2. Despite defective immunity and a hyper‐inflammatory state, clinical findings such as neurological, gastrointestinal, and bleeding disorders are present in a significant number of patients and suggest an impaired expression and function of STXBP2 in cells other than cytotoxic lymphocytes.

Procedure

We investigated four patients with FHL5 suffering from severe enteropathy and one of whom also had renal tubular dysfunction despite successful hematopoietic stem cell transplantation (HSCT). Gastrointestinal and renal biopsy specimens were analyzed by immunohistochemistry and electron microscopy.

Results

Histopathology revealed an intracytoplasmatic accumulation of PAS‐positive granules and an enlarged intracytoplasmatic CD10‐positive band along the apical pole of enterocytes. Electron microscopy revealed short microvilli and granules filled with electro lucent material. In addition, we described mildly dilated renal tubules and electron micrographs displayed a higher number of cytoplasmic inclusions, electrodense lysosomal and electrolucent endosomal vesicles.

Conclusion

Mutations in STXBP2 do not only affect cytotoxic T lymphocytes but also cause changes in the intestinal and renal epithelium resulting in severe, osmotic diarrhea and renal proximal tubular dysfunction. These defects persist after successful treatment of hemophagocytic lymphohistocytosis by HSCT. Clinical manifestations in FHL5 patients despite successful HSCT may therefore be related to defective membrane trafficking in the gut and kidney. Pediatr Blood Cancer 2013; 60: 1215–1222. © 2013 Wiley Periodicals, Inc.
Effects of adenotonsillectomy on polysomnographic parameters in children with sickle cell disease
Authors: Finch Paul , Stocks Rose Mary , Smeltzer Matthew P. , Kimble Amy , Schoumacher Robert , Hankins Jane S.
Published: February 2013

Obstructive sleep apnea (OSA) in the pediatric sickle cell disease (SCD) population can promote nightly hemoglobin oxygen desaturation, which increases the risk of central nervous system insult and may impair cognitive function. Adenotonsillectomy can ameliorate OSA symptoms, but its effect in children with SCD has not been fully investigated. We reviewed the effects of adenotonsillectomy in thirteen children with SCD by comparison of pre and post‐adenotonsillectomy polysomnography (PSG) parameters. Significant reduction in hemoglobin oxygen desaturation, decreased apnea‐hypopnea index, and increased rapid eye movement sleep occurred after adenotonsillectomy. Adenotonsillectomy promotes improvement in sleep quality in children with SCD and PSG‐confirmed OSA. Pediatr Blood Cancer 2013; 60: E26–E28. © 2013 Wiley Periodicals, Inc.
Polymers with shape memory effect from renewable resources: crosslinking of polyesters based on isosorbide, itaconic acid and succinic acid
Authors: Goerz Oliver , Ritter Helmut
Published: February 2013

Polycondensation of isosorbide with itaconic acid and succinic acid was performed in the presence of sulfuric acid as a catalyst in toluene around 140 °C under microwave irradiation. Molar ratios of itaconic acid were varied to investigate the influence of itaconic acid on molecular weights and glass transition temperatures. For polyesters of isosorbide, itaconic acid and succinic acid Tg values were found from 57 °C to 65 °C. The molecular weights obtained varied from 1200 Da for poly(isosorbide itaconate) UPE100 up to 3500 Da for poly(isosorbide succinate) UPE0. The copolyesters obtained were crosslinked radically with dimethyl itaconate giving a round shaped material with slightly raised Tg values up to 74 °C. Furthermore, with dimethyl itaconate crosslinked copolyesters showed a one‐way shape memory effect upon heating after deformation at the glass transition temperature. © 2013 Society of Chemical Industry