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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/29793211/synthesis-and-evaluation-of-novel-triazolyl-quinoline-derivatives-as-potential-antileishmanial-agents
#2
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/29793210/polypharmacological-profile-of-1-2-dihydro-2-oxo-pyridine-3-carboxamides-in-the-endocannabinoid-system
#3
Andrea Chicca, Chiara Arena, Simone Bertini, Francesca Gado, Elena Ciaglia, Mario Abate, Maria Digiacomo, Margherita Lapillo, Giulio Poli, Maurizio Bifulco, Marco Macchia, Tiziano Tuccinardi, Jürg Gertsch, Clementina Manera
The endocannabinoid system (ECS) represents one of the major neuromodulatory systems involved in different physiological and pathological processes. Multi-target compounds exert their activities by acting via multiple mechanisms of action and represent a promising pharmacological modulation of the ECS. In this work we report 4-substituted and 4,5-disubstituted 1,2-dihydro-2-oxo-pyridine-3-carboxamide derivatives with a broad spectrum of affinity and functional activity towards both cannabinoid receptors and additional effects on the main components of the ECS...
May 14, 2018: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/29793209/effect-of-thermal-pretreatment-on-chemical-composition-physical-structure-and-biogas-production-kinetics-of-wheat-straw
#4
Asad Ayub Rajput, Zeshan, Chettiyappan Visvanathan
Hard lignocellulosic structure of wheat straw is the main hindrance in its anaerobic digestion. Thus, a laboratory scale batch experiment was conducted to study the effect of thermal pretreatment on anaerobic digestion of wheat straw. For this purpose, different thermal pretreatment temperatures of 120, 140, 160 and 180 °C were studied and the results were compared with raw wheat straw. Significant differences in biogas production were observed at temperature higher than 160 °C. Highest biogas yield of 615 Nml/gVS and volatile solids reduction of 69% was observed from wheat straw pretreated at 180 °C...
May 21, 2018: Journal of Environmental Management
https://www.readbyqxmd.com/read/29793208/enhanced-phosphate-removal-from-wastewater-by-using-in-situ-generated-fresh-trivalent-fe-composition-through-the-interaction-of-fe-ii-on-caco-3
#5
Yujie Li, Xiaoman He, Huimin Hu, Tingting Zhang, Jun Qu, Qiwu Zhang
Excessive existences of nutrients such as phosphate in the aqueous environment remain as a heavy concern although many researches have been reported for dealing with their removal. Based on the understanding toward the interactions of Fe compounds with phosphate and carbonate from many available researches, we designed a very simple and efficient approach for phosphate removal by using in situ generated fresh trivalent Fe composition through the interaction of Fe(II) as FeSO4 on CaCO3 . Addition and agitation of Fe(II) and CaCO3 simultaneously to phosphate solution allowed an amorphous Fe(III)-P or Ca-Fe(III)-P precipitation, with a phosphate removal rate close to 100%, to reduce the residual phosphorus concentration less than 0...
May 21, 2018: Journal of Environmental Management
https://www.readbyqxmd.com/read/29793207/infectivity-reduction-efficacy-of-uv-irradiation-and-peracetic-acid-uv-combined-treatment-on-ms2-bacteriophage-and-murine-norovirus-in-secondary-wastewater-effluent
#6
ShihChi Weng, Nathan Dunkin, Kellogg J Schwab, James McQuarrie, Kati Bell, Joseph G Jacangelo
Peracetic acid (PAA) is a strong oxidant/bactericide that has been applied in various industries (e.g., food processing, pharmaceuticals, medical device sterilization, etc.) as a disinfectant. There is increasing interest in using PAA for wastewater disinfection because it does not form halogenated byproducts, and no post-treatment quenching is required. Previous studies have demonstrated good efficiency in controlling bacteria in wastewater, but limited information is available for viruses, especially those hosted by mammals (e...
May 21, 2018: Journal of Environmental Management
https://www.readbyqxmd.com/read/29793206/effects-on-the-hepatic-transcriptome-of-chicken-embryos-in-ovo-exposed-to-phenobarbital
#7
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/29793204/influence-of-isolated-bacterial-strains-on-the-in-situ-biodegradation-of-endosulfan-and-the-reduction-of-endosulfan-contaminated-soil-toxicity
#8
Lingfen Kong, Yu Zhang, Lusheng Zhu, Jinhua Wang, Jun Wang, Zhongkun Du, Cheng Zhang
The recently discovered endosulfan-degrading bacterial strains Pusillimonas sp. JW2 and Bordetella petrii NS were isolated from endosulfan-polluted water and soil environments. The optimal conditions for the growth and biodegradation activity of the strains JW2 and NS were studied in detail. In addition, the ability of the strains JW2 and NS to biodegrade endosulfan in soils during in situ bioremediation experiments was investigated. At a concentration of 2 mg of endosulfan per kilogram of soil, both JW2 and NS had positive effects on the degradation of endosulfan; JW2 degraded 100% and 91...
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
#9
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/29793201/positive-effects-of-an-oil-adjuvant-on-efficacy-dissipation-and-safety-of-pyrimethanil-and-boscalid-on-greenhouse-strawberry
#10
Zhiwei Wang, Xinquan Wang, Tao Cang, Xueping Zhao, Shenggan Wu, Peipei Qi, Xiangyun Wang, Xiahong Xu, Qiang Wang
Methylated vegetable oil adjuvants can enhance initial deposition and decrease the required dosages of pesticides sprayed on plants, so an oil adjuvant mixed with fungicides were used to prevent and control gray mold in greenhouse strawberry. As the persistence and dietary exposure risks from fungicides on strawberries after using adjuvants have not been assessed, the efficacy, dissipation and safety of pyrimethanil and boscalid in the presence and absence of a methylated vegetable oil adjuvant were evaluated...
May 21, 2018: Ecotoxicology and Environmental Safety
https://www.readbyqxmd.com/read/29793200/influence-of-auxochrome-group-in-disperse-dyes-bearing-azo-groups-as-chromophore-center-in-the-biotransformation-and-molecular-docking-prediction-by-reductase-enzyme-implications-and-assessment-for-environmental-toxicity-of-xenobiotics
#11
Jefferson Honorio Franco, Bianca F da Silva, Elisangela Franciscon G Dias, Alexandre A de Castro, Teodorico C Ramalho, Maria Valnice Boldrin Zanoni
Synthetic azo dyes have increasingly become a matter of great concern as a result of the genotoxic and mutagenic potential of the products derived from azo dye biotransformation. This work evaluates the manner in which reducing enzymes produced by Escherichia coli (E. coli) act on three disperse dyes bearing azo groups, namely Disperse Red 73 (DR 73), Disperse Red 78 (DR 78), and Disperse Red 167 (DR 167). UV-Vis spectrophotometry, high-performance liquid chromatography with diode array detector (HPLC-DAD), and liquid chromatography mass spectrometry (LC-MS/MS) were applied towards the identification of the main products...
May 21, 2018: Ecotoxicology and Environmental Safety
https://www.readbyqxmd.com/read/29793199/effects-of-acute-and-chronic-exposures-of-fluoxetine-on-the-chinese-fish-topmouth-gudgeon-pseudorasbora-parva
#12
Hongxing Chen, Xiangfeng Zeng, Lei Mu, Liping Hou, Bin Yang, Jianliang Zhao, Daniel Schlenk, Wu Dong, Lingtian Xie, Qianru Zhang
Fluoxetine is a selective serotonin reuptake inhibitor used as an antidepressant and has been frequently detected in aquatic environments. However, its effects in fish from Asia remain relatively less studied. In this study, the topmouth gudgeon Pseudorasbora parva was exposed to 0, 50, and 200 µg/L of fluoxetine for 4 h and 42 d. The effects of fluoxetine on biometrics were compared to biochemical endpoints indicative of stress in different fish tissues (brain, liver, gills and intestine) following exposures...
May 21, 2018: Ecotoxicology and Environmental Safety
https://www.readbyqxmd.com/read/29793197/association-of-low-moderate-urine-arsenic-and-qt-interval-cross-sectional-and-longitudinal-evidence-from-the-strong-heart-study
#13
Katherine A Moon, Yiyi Zhang, Eliseo Guallar, Kevin A Francesconi, Walter Goessler, Jason G Umans, Lyle G Best, Barbara V Howard, Richard B Devereux, Peter M Okin, Ana Navas-Acien
Epidemiologic studies suggest that chronic exposure to arsenic is related to cardiovascular disease (CVD), but the pathophysiological link remains uncertain. We evaluated the association of chronic low-moderate arsenic exposure and arsenic metabolism with baseline difference and annual change in ECG measures (QT interval, JT interval, PR interval, QRS duration, and QT dispersion) using linear mixed models in the Strong Heart Study main cohort (N = 1174, median age 55 years) and family study (N = 1695 diabetes-free, median age 36 years)...
May 21, 2018: Environmental Pollution
https://www.readbyqxmd.com/read/29793196/seasonal-cycles-of-secondary-organic-aerosol-tracers-in-rural-guangzhou-southern-china-the-importance-of-atmospheric-oxidants
#14
Qi Yuan, Senchao Lai, Junwei Song, Xiang Ding, Lishan Zheng, Xinming Wang, Yan Zhao, Junyu Zheng, Dingli Yue, Liuju Zhong, Xiaojun Niu, Yingyi Zhang
Thirteen secondary organic aerosol (SOA) tracers of isoprene (SOAI ), monoterpenes (SOAM ), sesquiterpenes (SOAS ) and aromatics (SOAA ) in fine particulate matter (PM2.5 ) were measured at a Pearl River Delta (PRD) regional site for one year. The characteristics including their seasonal cycles and the factors influencing their formation in this region were studied. The seasonal patterns of SOAI , SOAM and SOAS tracers were characterized over three enhancement periods in summer (I), autumn (II) and winter (III), while the elevations of SOAA tracer (i...
May 21, 2018: Environmental Pollution
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
#15
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
#16
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
#17
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
#18
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/29793188/prioritization-of-reproductive-toxicants-in-unconventional-oil-and-gas-operations-using-a-multi-country-regulatory-data-driven-hazard-assessment
#19
Salmaan H Inayat-Hussain, Masao Fukumura, A Muiz Aziz, Chai Meng Jin, Low Wei Jin, Rolando Garcia-Milian, Vasilis Vasiliou, Nicole C Deziel
BACKGROUND: Recent trends have witnessed the global growth of unconventional oil and gas (UOG) production. Epidemiologic studies have suggested associations between proximity to UOG operations with increased adverse birth outcomes and cancer, though specific potential etiologic agents have not yet been identified. To perform effective risk assessment of chemicals used in UOG production, the first step of hazard identification followed by prioritization specifically for reproductive toxicity, carcinogenicity and mutagenicity is crucial in an evidence-based risk assessment approach...
May 21, 2018: Environment International
https://www.readbyqxmd.com/read/29793187/stapp-spatiotemporal-analysis-of-plantar-pressure-measurements-using-statistical-parametric-mapping
#20
Brian G Booth, Noël L W Keijsers, Jan Sijbers, Toon Huysmans
BACKGROUND: Pedobarography produces large sets of plantar pressure samples that are routinely subsampled (e.g. using regions of interest) or aggregated (e.g. center of pressure trajectories, peak pressure images) in order to simplify statistical analysis and provide intuitive clinical measures. RESEARCH QUESTION: We hypothesize that these data reductions discard gait information that can be used to differentiate between groups or conditions. METHODS: To test the hypothesis of null information loss, we created an implementation of statistical parametric mapping (SPM) for dynamic plantar pressure datasets (i...
May 3, 2018: Gait & Posture
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