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https://www.readbyqxmd.com/read/29793215/in-silico-insight-into-voltage-gated-sodium-channel-1-7-inhibition-for-anti-pain-drug-discovery
#1
Mingxing Wang, Wei Li, Ying Wang, Yongbo Song, Jian Wang, Maosheng Cheng
Studies on human genetics have implicated the voltage-gated sodium channel Nav1.7 as an appealing target for the treatment of pain. In this study, we put forward a ligand-based pharmacophore for the first time, which was generated by a set of multiple chemical scaffolds including sulfonamide and non-sulfonamide derivatives and consisted of four chemical features: an aromatic ring, a hydrophobic group and two hydrogen acceptors. The active cavity was divided into three regions according to the properties of the amino acids surrounded and was used for the docking of 16 known active inhibitors...
May 18, 2018: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/29793213/end-stage-renal-disease-models-in-the-americas-optimizing-resources-to-achieve-better-health-outcomes
#2
Ramiro E Gilardino, Eduardo González-Pier, Claudia Brabata
End-stage renal disease, the last and most severe stage of chronic kidney disease, represents a major and rising concern for countries in Latin America, driven in large part by aging populations and the near-epidemic rises in diabetes, obesity, and hypertension. This places a great clinical, economic, and social burden on the region's health systems. During the ISPOR 6th Latin America Conference held in Sao Paulo, Brazil, in September 2017, an educational forum debated on value-based decision making in the treatment of end-stage renal disease in Latin America...
May 21, 2018: Value in Health Regional Issues
https://www.readbyqxmd.com/read/29793211/synthesis-and-evaluation-of-novel-triazolyl-quinoline-derivatives-as-potential-antileishmanial-agents
#3
Akanksha Upadhyay, Pragati Kushwaha, Sampa Gupta, Ranga Prasad Dodda, Karthik Ramalingam, Ruchir Kant, Neena Goyal, Koneni V Sashidhara
The high potential of quinoline containing natural products and their derivatives in medicinal chemistry led us to discover novel series of 25 compounds for the development of new antileishmanial agents. A series of triazolyl 2-methyl-4-phenylquinoline-3-carboxylate derivatives has been synthesized via click chemistry inspired molecular hybridization approach and evaluated against Leishmania donovani. Most of the screened derivatives exhibited significant in vitro anti-leishmanial activity against promastigote (IC50 ranging from 2...
May 12, 2018: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/29793206/effects-on-the-hepatic-transcriptome-of-chicken-embryos-in-ovo-exposed-to-phenobarbital
#4
Jiahua Guo, Shohei Ito, Hoa Thanh Nguyen, Kimika Yamamoto, Hisato Iwata
This work aimed at evaluating the toxic effects of in ovo exposure to phenobarbital (PB) and unveiling the mode of action by transcriptome analysis in the embryonic liver of a model avian species, chicken (Gallus gallus). Embryos were initially treated with saline or 1 μg PB /g egg at Hamburger Hamilton Stage (HHS) 1 (1st day), followed by 20 days of incubation to HHS 46. At 21st day, chicks that pipped successfully were euthanized and dissected for assessing the PB caused effects on phenotypes and the liver transcriptome in both genders...
May 21, 2018: Ecotoxicology and Environmental Safety
https://www.readbyqxmd.com/read/29793203/chemical-speciation-and-risk-assessment-of-cadmium-in-soils-around-a-typical-coal-mining-area-of-china
#5
Siwei Cheng, Guijian Liu, Chuncai Zhou, Ruoyu Sun
The distribution characteristics of Cadmium (Cd) fractions in soils around a coal mining area of Huaibei coalfield were investigated, with the aim to assess its ecological risk. The total Cd concentrations in soils ranged from 0.05 to 0.87 mg/kg. The high percentage of phyto-available Cd (58%) when redox or base-acid equilibria changed. Soil pH was found to be a crucial factor affecting soil Cd fraction, and carbonate-bound Cd can be significantly affected by both organic matter and pH of soils. The static ecological evaluation models, including potential ecological risk index (PERI), geo-accumulation index (Igeo ) and risk assessment code (RAC), revealed a moderate soil Cd contamination and prensented high Cd exposure risk in studied soils...
May 21, 2018: Ecotoxicology and Environmental Safety
https://www.readbyqxmd.com/read/29793194/simultaneous-determination-of-18-psychoactive-agents-and-6-metabolites-in-plasma-using-lc-ms-ms-and-application-to-actual-plasma-samples-from-conscription-candidates
#6
Dongeun Park, Hyeyoung Choi, Moonhee Jang, Hyejin Chang, Sanghee Woo, Wonkyung Yang
In Korea, an increasing number of people attempt to evade military conscription by posing as mental health patients. To verify the authenticity of mental illness, there is a need to detect wide range of psychoactive agents in biological specimens of conscription candidates. In this study, we developed and validated a liquid chromatography-tandem mass spectrometry (LC-MS/MS) method for simultaneous determination of 18 psychoactive agents and 6 metabolites in human plasma. The method was characterized by the use of a simple, fast and cheap protein precipitation as sample preparation, a rapid run time (11min) and a low volume of plasma sample (200μL)...
April 22, 2018: Forensic Science International
https://www.readbyqxmd.com/read/29793193/a-validation-study-of-the-1-2-indandione-reagent-for-operational-use-in-the-uk-part-2-optimization-of-processing-conditions
#7
Niko Nicolasora, Rory Downham, Rachel-May Dyer, Laura Hussey, Aoife Luscombe, Vaughn Sears
This paper contains details of work carried out to identify the most effective processing conditions for the optimized 1,2-indandione/zn formulation developed for use under UK conditions. Using direct measurements of fluorescence taken from test spots of amino acids and eccrine sweat during oven processing, complemented with experiments on real fingermarks, it was established that processing temperatures above 120°C in the oven were detrimental to the fluorescence of the developed mark. Alternative methods of development to oven processing were found to be effective, but less controllable...
May 2, 2018: Forensic Science International
https://www.readbyqxmd.com/read/29793192/how-did-older-adults-respond-to-challenges-after-an-earthquake-results-from-a-qualitative-study-in-iran
#8
Shokoufeh Ahmadi, Hamidreza Khankeh, Robab Sahaf, Asghar Dalvandi, Seyed Ali Hosseini, Fardin Alipour
OBJECTIVES: In many areas, natural disasters are a major challenge for life and property of people. Earthquake is one of the most devastating natural disasters. This study aimed to explore how older adults responded to challenges after the earthquake in Iran. METHODS: This study was based on qualitative analysis. Data were collected through in-depth and semi-structured interviews. 29 participants including 18 older adult survivors of the earthquake-stricken areas, four lay caregivers, and three health professionals in disasters, one social worker, two relief worker and one disaster psychologist were interviewed...
May 17, 2018: Archives of Gerontology and Geriatrics
https://www.readbyqxmd.com/read/29793191/development-and-validation-of-a-prediction-model-for-functional-decline-in-older-medical-inpatients
#9
Toshihiko Takada, Shingo Fukuma, Yosuke Yamamoto, Yukio Tsugihashi, Hiroyuki Nagano, Michio Hayashi, Jun Miyashita, Teruhisa Azuma, Shunichi Fukuhara
OBJECTIVE: To prevent functional decline in older inpatients, identification of high-risk patients is crucial. The aim of this study was to develop and validate a prediction model to assess the risk of functional decline in older medical inpatients. METHODS: In this retrospective cohort study, patients ≥65 years admitted acutely to medical wards were included. The healthcare database of 246 acute care hospitals (n = 229,913) was used for derivation, and two acute care hospitals (n = 1767 and 5443, respectively) were used for validation...
May 17, 2018: Archives of Gerontology and Geriatrics
https://www.readbyqxmd.com/read/29793190/comparative-hazards-of-acute-myocardial-infarction-among-hospitalized-patients-with-methamphetamine-or-cocaine-use-disorders-a-retrospective-cohort-study
#10
Russell C Callaghan, Montana Halliday, Jodi Gatley, Jenna Sykes, Lawren Taylor, Claire Benny, Stephen J Kish
BACKGROUND: It is assumed that recreational use of methamphetamine can trigger acute myocardial infarction (AMI) events, but estimates of longitudinal hazards of AMI among methamphetamine users are lacking. METHODS: Retrospective cohort study: Competing-risks analysis was used to estimate time-to-AMI patterns in methamphetamine versus matched appendicitis (population-proxy) and matched cocaine (drug-control) groups. Cohorts were propensity-score-matched using demographic and clinical variables...
April 26, 2018: Drug and Alcohol Dependence
https://www.readbyqxmd.com/read/29793175/apolipoprotein-ciii-and-n-terminal-prohormone-b-type-natriuretic-peptide-as-independent-predictors-for-cardiovascular-disease-in-type-2-diabetes
#11
Marco Colombo, Helen C Looker, Bassam Farran, Felix Agakov, M Julia Brosnan, Paul Welsh, Naveed Sattar, Shona Livingstone, Paul N Durrington, D John Betteridge, Paul M McKeigue, Helen M Colhoun
BACKGROUND AND AIMS: Developing sparse panels of biomarkers for cardiovascular disease in type 2 diabetes would enable risk stratification for clinical decision making and selection into clinical trials. We examined the individual and joint performance of five candidate biomarkers for incident cardiovascular disease (CVD) in type 2 diabetes that an earlier discovery study had yielded. METHODS: Apolipoprotein CIII (apoCIII), N-terminal prohormone B-type natriuretic peptide (NT-proBNP), high sensitivity Troponin T (hsTnT), Interleukin-6, and Interleukin-15 were measured in baseline serum samples from the Collaborative Atorvastatin Diabetes trial (CARDS) of atorvastatin versus placebo...
May 21, 2018: Atherosclerosis
https://www.readbyqxmd.com/read/29793173/ag-nanoparticles-loading-of-polypyrrole-coated-superwetting-mesh-for-on-demand-separation-of-oil-water-mixtures-and-catalytic-reduction-of-aromatic-dyes
#12
Sun Yihan, Liu Mingming, Zhiguang Guo
Herein, a catalytic mesh with unique wettability, high oil-water separation efficiency and excellent catalytic performance towards aromatic dyes was fabricated. Polypyrrole (PPy) was firstly pre-coated on pristine stainless-steel mesh (SSM) surface via cyclic voltammetry approach. Subsequently, a simple electrodeposition process was performed to prepare and anchor Ag nanoparticles (AgNPs) onto the PPy-coated SSM surface. The PPy-coated mesh with anchored AgNPs was denoted as PPy/AgNPs-coated SSM. The obtained PPy/AgNPs-coated SSM exhibited dual superlyophobic properties and were able to achieve on-demand separation to deal with various of light oil (ρoil  < ρwater ) and heavy oil (ρoil  > ρwater )-water mixtures...
May 19, 2018: Journal of Colloid and Interface Science
https://www.readbyqxmd.com/read/29793164/childhood-socioeconomic-status-and-longitudinal-patterns-of-alcohol-problems-variation-across-etiological-pathways-in-genetic-risk
#13
Peter B Barr, Judy Silberg, Danielle M Dick, Hermine H Maes
Childhood socioeconomic status (SES) is an important aspect of early life environment associated with later life health/health behaviors, including alcohol misuse. However, alcohol misuse is modestly heritable and involves differing etiological pathways. Externalizing disorders show significant genetic overlap with substance use, suggesting an impulsivity pathway to alcohol misuse. Alcohol misuse also overlaps with internalizing disorders, suggesting alcohol is used to cope. These differing pathways could lead to different patterns over time and/or differential susceptibility to environmental conditions, such as childhood SES...
May 14, 2018: Social Science & Medicine
https://www.readbyqxmd.com/read/29793161/exposure-of-microcystis-aeruginosa-to-hydrogen-peroxide-and-titanium-dioxide-under-visible-light-conditions-modeling-the-impact-of-hydrogen-peroxide-and-hydroxyl-radical-on-cell-rupture-and-microcystin-degradation
#14
Che-Wei Chang, Xiangchen Huo, Tsair-Fuh Lin
The aims of this study are to evaluate, under visible light conditions, the ability of H2 O2 and TiO2 to produce OH, their quantitative impacts on the cell integrity of Microcystis, and the subsequent release and degradation of microcystins (MCs). A sequential reaction model was developed, including one sub-model to simulate the rupture kinetics for cell integrity of Microcystis, and another to describe the release and degradation of MCs. For cell rupture, the dual-oxidant Delayed Chick-Watson model (DCWM) and dual-oxidant Hom model (HM) were first proposed and developed, giving excellent simulation results of cell rupture kinetics...
May 14, 2018: Water Research
https://www.readbyqxmd.com/read/29793160/water-footprint-characteristic-of-less-developed-water-rich-regions-case-of-yunnan-china
#15
Yiying Qian, Huijuan Dong, Yong Geng, Shaozhuo Zhong, Xu Tian, Yanhong Yu, Yihui Chen, Dana Avery Moss
Rapid industrialization and urbanization pose pressure on water resources in China. Virtual water trade proves to be an increasingly useful tool in water stress alleviation for water-scarce regions, while bringing opportunities and challenges for less developed water-rich regions. In this study, Yunnan, a typical province in southwest China, was selected as the case study area to explore its potential in socio-economic development in the context of water sustainability. Both input-output analysis and structural decomposition analysis on Yunnan's water footprint for the period of 2002-2012 were performed at not only an aggregated level but also a sectoral level...
March 30, 2018: Water Research
https://www.readbyqxmd.com/read/29793159/impacts-of-groundwater-management-on-energy-resources-and-greenhouse-gas-emissions-in-california
#16
Thomas P Hendrickson, Maya Bruguera
California faces significant energy and water infrastructure planning challenges in response to a changing climate. Immediately following the most severe recorded drought, the state experienced one of its wettest water years in recorded history. Despite the recent severe wet weather, much of the state's critical groundwater systems have not recovered from the drought. The recent Sustainable Groundwater Management Act (SGMA) aims to eliminate future depletion risks, but may force California basins to seek alternative water sources by limiting groundwater withdrawals during droughts...
May 16, 2018: Water Research
https://www.readbyqxmd.com/read/29793154/juvenile-treatment-with-mglur2-3-agonist-prevents-schizophrenia-like-phenotypes-in-adult-by-acting-through-gsk3%C3%AE
#17
Bo Xing, Genie Han, Min-Juan Wang, Melissa A Snyder, Wen-Jun Gao
Prodromal memory deficits represent an important marker for the development of schizophrenia (SZ), in which glutamatergic hypofunction occurs in the prefrontal cortex (PFC). The mGluR2/3 agonist LY379268 (LY37) attenuates excitatory N-methyl-D-aspartate receptor (NMDAR)-induced neurotoxicity, a central pathological characteristic of glutamatergic hypofunction. We therefore hypothesized that early treatment with LY37 would rescue cognitive deficits and confer benefits for SZ-like behaviors in adults. To test this, we assessed whether early intervention with LY37 would improve learning outcomes in the Morris Water Maze for rats prenatally exposed to methylazoxymethanol acetate (MAM), a neurodevelopmental SZ model...
May 14, 2018: Neuropharmacology
https://www.readbyqxmd.com/read/29793152/identification-of-seven-polyamine-oxidase-genes-in-tomato-solanum-lycopersicum-l-and-their-expression-profiles-under-physiological-and-various-stress-conditions
#18
Yanwei Hao, Binbin Huang, Dongyu Jia, Taylor Mann, Xinyi Jiang, Yuxing Qiu, Masaru Niitsu, Thomas Berberich, Tomonobu Kusano, Taibo Liu
Polyamines (PAs) are implicated in developmental processes and stress responses of plants. Polyamine oxidases (PAOs), flavin adenine dinucleotide-dependent enzymes that function in PA catabolism, play a critical role. Even though PAO gene families of Arabidopsis and rice have been intensely characterized and their expression in response to developmental and environmental changes has been investigated, little is known about PAOs in tomato (Solanum lycopersicum). We found seven PAO genes in S. lycopersicum and named them SlPAO1∼7...
May 15, 2018: Journal of Plant Physiology
https://www.readbyqxmd.com/read/29793148/post-traumatic-stress-symptom-development-as-a-function-of-changing-witnessing-in-home-violence-and-changing-peer-post-traumatic-stress-symptom-development-as-a-function-of-changing-witnessing-in-home-violence-and-changing-peer-relationship-quality-evaluating
#19
Aura A Mishra, Sharon L Christ, Laura M Schwab-Reese, Nayantara Nair
In the present study, witnessing in-home violence and peer relationship quality are evaluated as to their relative impact on Post Traumatic Stress (PTS) symptoms among children aged 8 to 17 investigated by child protective services (CPS) for maltreatment exposure. The sample included 2151 children from the National Survey of Child and Adolescent Well-Being II (NSCAW II). Linear growth models were estimated to assess associations between changes in PTS symptoms, witnessing in-home violence, and peer relationship quality over time...
May 21, 2018: Child Abuse & Neglect
https://www.readbyqxmd.com/read/29793146/development-of-a-novel-tridentate-ligand-for-colorimetric-detection-of-mn-2-based-on-agnps
#20
Jianyu Wei, Jinfan Chen, Guozong Yue, Liangsheng Hu, Danqing Zhao, Jing Zhu, Luming Yang, Deshun Huang, Pengxiang Zhao
A novel tridentate ligand nitrilotris(methylene)tris(1,2,3-triazole)triacetate (NTTTA) has been synthesized by click reaction and followed with ester hydrolysis reaction. The silver nanoparticles (AgNPs) were then modified and stabilized by this ligand, and subsequently been employed for the highly selective and sensitive colorimetric detection of Mn2+ in aqueous solution. The presence of Mn2+ can cause the aggregation of AgNPs, which leads to the color change of the dispersion from yellow to brown, as well as the decrease and red-shift of the surface plasmon resonance absorption...
May 9, 2018: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
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