bluuebunny/crossref_metadata_2025_split huggingface dataset:
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

Abstract

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

ABSTRACTThe 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

ABSTRACTFetal 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

ABSTRACTEthanol 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

ObjectiveRecent 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.MethodThree 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.ResultsAnalyses 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.ConclusionsThese 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

AbstractBackgroundThe 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.ResultsThe 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.ConclusionHigh 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
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

AbstractStable 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

AbstractThe 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

AbstractRadiotherapy 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

AbstractIn 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.
How career orientation shapes the job satisfaction–turnover intention link
Authors: Tschopp Cécile , Grote Gudela , Gerber Marius 
Published: February 2013

SummaryThis 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.
Reflective mulch enhances ripening and health compounds in apple fruit
Authors: Overbeck Verena , Schmitz‐Eiberger Michaela A , Blanke Michael M 
Published: February 2013

AbstractBACKGROUNDThe 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.RESULTSReflective 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.CONCLUSIONOverall, 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

AbstractBackgroundApples 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.ResultsHeat‐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.ConclusionThe 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

AbstractBACKGROUNDThere 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.RESULTSThe 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).CONCLUSIONO. 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

AbstractTo 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.