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Multiple Chemical Sensitivities

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https://www.readbyqxmd.com/read/28636817/framework-for-optimizing-selection-of-interspecies-correlation-estimation-models-to-address-species-diversity-and-toxicity-gaps-in-an-aquatic-database
#1
Adriana C Bejarano, Sandy Raimondo, Mace G Barron
The Chemical Aquatic Fate and Effects (CAFE) database is a tool that facilitates assessments of accidental chemical releases into aquatic environments. CAFE contains aquatic toxicity data used in the development of species sensitivity distributions (SSDs) and the estimation of hazard concentrations (HCs). For many chemicals, gaps in species diversity and toxicity data limit the development of SSDs, which may be filled with Interspecies Correlation Estimation (ICE) models. Optimization of ICE model selection and integration ICE-predicted values into CAFE required a multistep process that involved the use of different types of data to assess their influence on SSDs and HC estimates...
June 21, 2017: Environmental Science & Technology
https://www.readbyqxmd.com/read/28636790/controlling-reaction-selectivity-via-surface-termination-of-perovskite-catalysts
#2
Felipe Polo-Garzon, Shi-Ze Yang, Victor Fung, Guo Shiou Foo, Elizabeth Erin Bickel, Matthew F Chisholm, De-En Jiang, Zili Wu
Although perovskites have been widely used in catalysis, tuning their surface terminations to control reaction selectivities has not been well established. In this work, we employ multiple surface sensitive techniques to characterize the surface termination (one aspect of surface reconstruction) of SrTiO3 (STO) after thermal pretreatment (Sr-enrichment) and chemical etching (Ti-enrichment). We show, using the conversion of 2-propanol as a probe reaction, that the surface termination of STO can be controlled to greatly tune catalytic acid/base properties and consequently the reaction selectivities in a wide range, which are inaccessible using single metal oxides, either SrO or TiO2...
June 21, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28633424/three-dimensional-3d-heparg-spheroid-model-with-physiologically-relevant-xenobiotic-metabolism-competence-and-hepatocyte-functionality-for-liver-toxicity-screening
#3
Sreenivasa C Ramaiahgari, Suramya Waidyanatha, Darlene Dixon, Michael J DeVito, Richard S Paules, Stephen S Ferguson
Effective prediction of human responses to chemical and drug exposure is of critical importance in environmental toxicology research and drug development. While significant progress has been made to address this challenge using in vitro liver models, these approaches often fail due to inadequate tissue model functionality. Herein, we describe the development, optimization, and characterization of a novel three-dimensional (3D) spheroid model using differentiated HepaRG cells that achieve and maintain physiologically-relevant levels of xenobiotic metabolism (CYP1A2, CYP2B6, and CYP3A4/5)...
June 15, 2017: Toxicological Sciences: An Official Journal of the Society of Toxicology
https://www.readbyqxmd.com/read/28631877/identification-of-chemical-components-in-baidianling-capsule-based-on-gc-ms-and-hplc-combined-with-fourier-transform-ion-cyclotron-resonance-mass-spectrometry
#4
Wenying Wu, Yu Chen, Binjie Wang, Xiaoyang Sun, Ping Guo, Xiaohui Chen
Baidianling Capsule, which is made from 16 Chinese herbs, has been widely used for treating vitiligo clinically. In this study, the sensitive and rapid method has been developed for the analysis of chemical components in Baidianling Capsule by gas chromatography with mass spectrometry in combination with retention indices and high-performance liquid chromatography combined with Fourier transform-ion cyclotron resonance mass spectrometry. Firstly, a total of 110 potential volatile compounds obtained from different extraction procedures including alkanes, alkenes, alkyne, ketones, ethers, aldehydes, alcohols, phenols, organic acids, esters, furan, pyrrole, acid amide, heterocycle and oxide were detected from Baidianling Capsule by gas chromatography with mass spectrometry, of which 75 were identified by mass spectrometry in combination with the retention index...
June 20, 2017: Journal of Separation Science
https://www.readbyqxmd.com/read/28630915/ultralight-scalable-and-high-temperature-resilient-ceramic-nanofiber-sponges
#5
Haolun Wang, Xuan Zhang, Ning Wang, Yan Li, Xue Feng, Ya Huang, Chunsong Zhao, Zhenglian Liu, Minghao Fang, Gang Ou, Huajian Gao, Xiaoyan Li, Hui Wu
Ultralight and resilient porous nanostructures have been fabricated in various material forms, including carbon, polymers, and metals. However, the development of ultralight and high-temperature resilient structures still remains extremely challenging. Ceramics exhibit good mechanical and chemical stability at high temperatures, but their brittleness and sensitivity to flaws significantly complicate the fabrication of resilient porous ceramic nanostructures. We report the manufacturing of large-scale, lightweight, high-temperature resilient, three-dimensional sponges based on a variety of oxide ceramic (for example, TiO2, ZrO2, yttria-stabilized ZrO2, and BaTiO3) nanofibers through an efficient solution blow-spinning process...
June 2017: Science Advances
https://www.readbyqxmd.com/read/28609223/the-influence-of-multiple-chemical-and-non-chemical-stressors-on-benthic-communities-in-a-mid-west-agricultural-stream
#6
Lenwood W Hall, Willian D Killen, Ronald D Anderson, Raymond W Alden
The objective of this 3-year study was to characterize benthic communities and physical habitat in an agricultural stream in the mid-west area of the United States (Big Bureau Creek, Illinois). Concurrent basic water quality parameters and seven nutrients were measured in the water column. Sediment measurements from depositional areas were conducted for bifenthrin, Total Organic Carbon, grain size, polychlorinated biphenyls (PCBs) and eight metals. All parameters were measured at 12 sites annually during the late summer for a 3-year period (2014, 2015 and 2016)...
June 13, 2017: Journal of Environmental Science and Health. Part A, Toxic/hazardous Substances & Environmental Engineering
https://www.readbyqxmd.com/read/28602621/binary-test-battery-with-keratinosens%C3%A2-and-h-clat-as-part-of-a-bottom-up-approach-for-skin-sensitization-hazard-prediction
#7
Yuki Otsubo, Taku Nishijo, Masaaki Miyazawa, Kazutoshi Saito, Hideyuki Mizumachi, Hitoshi Sakaguchi
Skin sensitization is one of the key safety endpoints for chemicals applied directly to the skin. Several integrated testing strategies (ITS) using multiple non-animal test methods have been developed to accurately evaluate the sensitizing potential of chemicals, but there is no regulatory-accepted ITS to classify a chemical as a non-sensitizer. In this study, the predictive performance of a binary test battery with KeratinoSens™ and h-CLAT compared to the local lymph node assay (LLNA) and human data was examined using comprehensive dataset of 203 chemicals...
June 7, 2017: Regulatory Toxicology and Pharmacology: RTP
https://www.readbyqxmd.com/read/28601761/improving-virtual-screening-predictive-accuracy-of-human-kallikrein-5-inhibitors-using-machine-learning-models
#8
Xingang Fang, Sikha Bagui, Subhash Bagui
The readily available high throughput screening (HTS) data from the PubChem database provides an opportunity for mining of small molecules in a variety of biological systems using machine learning techniques. From the thousands of available molecular descriptors developed to encode useful chemical information representing the characteristics of molecules, descriptor selection is an essential step in building an optimal quantitative structural-activity relationship (QSAR) model. For the development of a systematic descriptor selection strategy, we need the understanding of the relationship between: (i) the descriptor selection; (ii) the choice of the machine learning model; and (iii) the characteristics of the target bio-molecule...
May 29, 2017: Computational Biology and Chemistry
https://www.readbyqxmd.com/read/28596526/mechanistic-roles-of-micrornas-in-hepatocarcinogenesis-a-study-of-thioacetamide-with-multiple-doses-and-time-points-of-rats
#9
Harsh Dweep, Yuji Morikawa, Binsheng Gong, Jian Yan, Zhichao Liu, Tao Chen, Halil Bisgin, Wen Zou, Huixiao Hong, Tieliu Shi, Ping Gong, Christina Castro, Takeki Uehara, Yuping Wang, Weida Tong
Environmental chemicals exposure is one of the primary factors for liver toxicity and hepatocarcinoma. Thioacetamide (TAA) is a well-known hepatotoxicant and could be a liver carcinogen in humans. The discovery of early and sensitive microRNA (miRNA) biomarkers in liver injury and tumor progression could improve cancer diagnosis, prognosis, and management. To study this, we performed next generation sequencing of the livers of Sprague-Dawley rats treated with TAA at three doses (4.5, 15 and 45 mg/kg) and four time points (3-, 7-, 14- and 28-days)...
June 8, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28595388/admet-evaluation-in-drug-discovery-part-17-development-of-quantitative-and-qualitative-prediction-models-for-chemical-induced-respiratory-toxicity
#10
Tailong Lei, Fu Chen, Hui Liu, Huiyong Sun, Yu Kang, Dan Li, Youyong Li, Tingjun Hou
As a dangerous end point, respiratory toxicity can cause serious adverse health effects and even death. Meanwhile, it is a common and traditional issue in occupational and environmental protection. Pharmaceutical and chemical industries have a strong urge to develop precise and convenient computational tools to evaluate the respiratory toxicity of compounds as early as possible. Most of the reported theoretical models were developed based on the respiratory toxicity data sets with one single symptom, such as respiratory sensitization, and therefore these models may not afford reliable predictions for toxic compounds with other respiratory symptoms, such as pneumonia or rhinitis...
June 21, 2017: Molecular Pharmaceutics
https://www.readbyqxmd.com/read/28577309/-1-h-19-f-redor-filtered-nmr-spin-diffusion-measurements-of-domain-size-in-heterogeneous-polymers
#11
Eric G Sorte, Todd M Alam
Solid state NMR spectroscopy is inherently sensitive to chemical structure and composition, and thus makes an ideal method to probe the heterogeneity of multicomponent polymers. Specifically, NMR spin diffusion experiments can be used to extract reliable information about spatial domain sizes on multiple length scales, provided that magnetization selection of one domain can be achieved. In this paper, we demonstrate the preferential filtering of protons in fluorinated domains during NMR spin diffusion experiments using (1) H-(19) F heteronuclear dipolar dephasing based on rotational echo double resonance (REDOR) MAS NMR techniques...
June 2, 2017: Magnetic Resonance in Chemistry: MRC
https://www.readbyqxmd.com/read/28570499/stable-remission-of-multiple-chemical-sensitivity-syndrome-and-major-depression-with-citalopram-and-1-month-deep-transcranial-magnetic-stimulation-a-case-report
#12
Antonio Del Casale, Chiara Rapinesi, Georgios D Kotzalidis, Serena Sorice, Alessio Padovano, Giovanna Gentile, Gloria Angeletti, Stefano Ferracuti, Gabriele Sani, Maurizio Pompili, Maurizio Simmaco, Paolo Girardi
No abstract text is available yet for this article.
May 31, 2017: Journal of ECT
https://www.readbyqxmd.com/read/28567179/understanding-chemically-processed-solar-cells-based-on-quantum-dots
#13
Victor Malgras, Andrew Nattestad, Jung Ho Kim, Shi Xue Dou, Yusuke Yamauchi
Photovoltaic energy conversion is one of the best alternatives to fossil fuel combustion. Petroleum resources are now close to depletion and their combustion is known to be responsible for the release of a considerable amount of greenhouse gases and carcinogenic airborne particles. Novel third-generation solar cells include a vast range of device designs and materials aiming to overcome the factors limiting the current technologies. Among them, quantum dot-based devices showed promising potential both as sensitizers and as colloidal nanoparticle films...
2017: Science and Technology of Advanced Materials
https://www.readbyqxmd.com/read/28558143/parsing-disease-relevant-protein-modifications-from-epiphenomena-perspective-on-the-structural-basis-of-sod1-mediated-als
#14
N D Schmitt, J N Agar
Conformational change and modification of proteins are involved in many cellular functions. However, they can also have adverse effects that are implicated in numerous diseases. How structural change promotes disease is generally not well understood. This perspective illustrates how mass spectrometry (MS), followed by toxicological and epidemiological validation, can discover disease-relevant structural changes and therapeutic strategies. We (with our collaborators) set out to characterize the structural and toxic consequences of disease-associated mutations and post-translational modifications (PTMs) of the cytosolic antioxidant protein Cu/Zn-Superoxide dismutase (SOD1)...
May 30, 2017: Journal of Mass Spectrometry: JMS
https://www.readbyqxmd.com/read/28556180/multiple-coil-k-space-interpolation-enhances-resolution-in-single-shot-spatiotemporal-mri
#15
Gilad Liberman, Eddy Solomon, Michael Lustig, Lucio Frydman
PURPOSE: Spatio-temporal encoding (SPEN) experiments can deliver single-scan MR images without folding complications and with robustness to chemical shift and susceptibility artifacts. Further resolution improvements are shown to arise by relying on multiple receivers, to interpolate the sampled data along the low-bandwidth dimension. The ensuing multiple-sensor interpolation is akin to recently introduced SPEN interleaving procedures, albeit without requiring multiple shots. METHODS: By casting SPEN's spatial rasterization in k-space, it becomes evident that local k-data interpolations enabled by multiple receivers are akin to real-space interleaving of SPEN images...
May 28, 2017: Magnetic Resonance in Medicine: Official Journal of the Society of Magnetic Resonance in Medicine
https://www.readbyqxmd.com/read/28554114/quantifying-the-contribution-of-dyes-to-the-mutagenicity-of-waters-under-the-influence-of-textile-activities
#16
Francine Inforçato Vacchi, Josiane Aparecida de Souza Vendemiatti, Bianca Ferreira da Silva, Maria Valnice Boldrin Zanoni, Gisela de Aragão Umbuzeiro
The combination of chemical analyses and bioassays allows the identification of potentially mutagenic compounds in different types of samples. Dyes can be considered as emergent contaminants and were detected in waters, under the influence of textile activities. The objective of this study was to evaluate the contribution of 9 azo dyes to the mutagenicity of representative environmental samples. Samples were collected along one year in the largest conglomerate of textile industries of Brazil. We analyzed water samples from an important water body, Piracicaba River, upstream and downstream two main discharges, the effluent of a wastewater treatment plant (WWTP) and the tributary Quilombo River, which receives untreated effluent from local industries...
May 26, 2017: Science of the Total Environment
https://www.readbyqxmd.com/read/28545941/sevoflurane-anaesthesia-for-nasal-surgery-in-a-patient-with-multiple-chemical-sensitivity
#17
M T Fernández Martín, J C Álvarez López
Multiple chemical sensitivity syndrome is a group of complex disorders that include psychiatric disorders, chronic fatigue and/or respiratory problems. This syndrome could be triggered by specific allergens and toxins that cause neurophysiological sensitization and the appearance of the clinical symptomatology. Anaesthesia for these patients always poses a challenge for the anaesthetist, because they need to find and use drugs that do not trigger or aggravate the symptoms of the disease. Therefore, sevoflurane in these circumstances might be "the ideal anaesthetic"...
May 22, 2017: Revista Española de Anestesiología y Reanimación
https://www.readbyqxmd.com/read/28544647/dual-cross-linked-biofunctional-and-self-healing-networks-to-generate-user-defined-modular-gradient-hydrogel-constructs
#18
Zhao Wei, Daniel M Lewis, Yu Xu, Sharon Gerecht
Gradient hydrogels have been developed to mimic the spatiotemporal differences of multiple gradient cues in tissues. Current approaches used to generate such hydrogels are restricted to a single gradient shape and distribution. Here, a hydrogel is designed that includes two chemical cross-linking networks, biofunctional, and self-healing networks, enabling the customizable formation of modular gradient hydrogel construct with various gradient distributions and flexible shapes. The biofunctional networks are formed via Michael addition between the acrylates of oxidized acrylated hyaluronic acid (OAHA) and the dithiol of matrix metalloproteinase (MMP)-sensitive cross-linker and RGD peptides...
May 23, 2017: Advanced Healthcare Materials
https://www.readbyqxmd.com/read/28543285/changes-in-monosaccharides-organic-acids-and-amino-acids-during-cabernet-sauvignon-wine-aging-based-on-a-simultaneous-analysis-using-gas-chromatography-mass-spectrometry
#19
Xin-Ke Zhang, Yi-Bin Lan, Bao-Qing Zhu, Xiao-Feng Xiang, Chang-Qing Duan, Ying Shi
BACKGROUND: Monosaccharides, organic acids and amino acids are the important flavor-related components in wines. The aim of this article is to develop and validate a method that could simultaneously analyze these compounds in wine based on silylation derivatization and gas chromatography-mass spectrometry (GC-MS), and apply this method on the investigation of the changes of these compounds and speculate their related influences on Cabernet Sauvignon wine flavor during wine aging. This work presented a new approach for wine analysis and provided more information concerning red wine aging...
May 25, 2017: Journal of the Science of Food and Agriculture
https://www.readbyqxmd.com/read/28537025/prediction-of-dissolved-oxygen-concentration-in-hypoxic-river-systems-using-support-vector-machine-a-case-study-of-wen-rui-tang-river-china
#20
Xiaoliang Ji, Xu Shang, Randy A Dahlgren, Minghua Zhang
Accurate quantification of dissolved oxygen (DO) is critically important for managing water resources and controlling pollution. Artificial intelligence (AI) models have been successfully applied for modeling DO content in aquatic ecosystems with limited data. However, the efficacy of these AI models in predicting DO levels in the hypoxic river systems having multiple pollution sources and complicated pollutants behaviors is unclear. Given this dilemma, we developed a promising AI model, known as support vector machine (SVM), to predict the DO concentration in a hypoxic river in southeastern China...
May 23, 2017: Environmental Science and Pollution Research International
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