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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/29793214/balanced-design-for-the-feasible-super-rocket-fuels-a-first-principle-study-on-gauche-chn-7-and-chn-3
#2
Tao Yu, Maohua Lin, Bo Wu, Jintian Wang, Chi-Tay Tsai
On the basis of the framework of cubic gauche nitrogen (cg-N), six one-eighth methanetriyl groups (>CH-) substitutes and fifteen one-fourth >CH- substitutes were optimized using the first-principle calculations based on density functional theory (DFT). Both one-eighth and one-fourth substitutes still keep the gauche structures with the simple formula CHN7 and CHN3 , respectively. The most thermodynamic stable gauche CHN7 and CHN3 are P21 qtg-C2 H2 N14 I and P21 qtg-C4 H4 N12 III, respectively. No probability density of C-C single bonds and high probability densities of C-N-C structures were found in the two substitutes...
May 16, 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
#3
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/29793212/should-we-excise-are-there-any-clinical-or-histologic-features-that-predict-upgrade-in-papillomas-incidental-or-non-incidental
#4
Michael Zaleski, Yun An Chen, Alison L Chetlen, Julie Mack, Liyan Xu, Daleela G Dodge, Dipti M Karamchandani
The clinical decision to excise intraductal papilloma (IDP) without atypia diagnosed on biopsy remains controversial. We sought to establish clinical and histologic predictors (if any) which may predict upgrade in IDP. 296 biopsies (in 278 women) with histologic diagnosis of IDP without atypia were retrospectively identified and placed into Incidental (no corresponding imaging correlate), or Non-incidental (positive imaging correlate) groups. 253/296 (85.5%) cases were non-incidental, and 43/296 (14.5%) were incidental...
May 11, 2018: Annals of Diagnostic Pathology
https://www.readbyqxmd.com/read/29793210/polypharmacological-profile-of-1-2-dihydro-2-oxo-pyridine-3-carboxamides-in-the-endocannabinoid-system
#5
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
#6
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
#7
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
#8
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
#9
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/29793205/comprehensive-assessment-of-three-typical-antibiotics-on-cyanobacteria-microcystis-aeruginosa-the-impact-and-recovery-capability
#10
Yingxiang Du, Jing Wang, Fengyi Zhu, Dina Mai, Zhongrun Xiang, Jianqiu Chen, Ruixin Guo
This innovative study provided a comprehensive evaluation of the effects of three typical antibiotics exposures (cefradine, norfloxacin and amoxicillin) on Microcystis aeruginosa in two periods (exposure and post-exposure) at a new perspective. The results indicated that the irreversible growth inhibition of M. aeruginosa attributed to the norfloxacin in the exposure and the re-exposure stages. In contrast, although the algal cell size recovered to the control level after the exposure of 20 mg/L of cefradine, the significant stimulation on glutathione (GSH) still persisted even if the contaminants were removed...
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
#11
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/29793201/positive-effects-of-an-oil-adjuvant-on-efficacy-dissipation-and-safety-of-pyrimethanil-and-boscalid-on-greenhouse-strawberry
#12
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
#13
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
#14
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/29793198/assessment-of-cu-sub-lethal-toxicity-lc-50-in-the-cold-water-gorgonian-dentomuricea-meteor-under-a-deep-sea-mining-activity-scenario
#15
Inês Martins, António Godinho, Joana Goulart, Marina Carreiro-Silva
Previous aquaria-based experiments have shown dissolution and leaching of metals, especially copper (Cu), from the simulated sediment plumes generated during mining activities resulting in a pronounced increase of Cu contamination in the surrounding seawater. Metals are bioavailable to corals with food, through ingestion (particulate phase) and through tissue-facilitated transport (passive diffusion). With corals being particularly vulnerable to metal contamination, resuspension of metal-bearing sediments during mining activities represents an important ecological threat...
May 21, 2018: Environmental Pollution
https://www.readbyqxmd.com/read/29793195/alcohol-and-drugs-use-among-drivers-injured-in-road-accidents-in-campania-italy-a-8-years-retrospective-analysis
#16
Anna Carfora, Carlo Pietro Campobasso, Paola Cassandro, Raffaella Petrella, Renata Borriello
A recent update of the Italian Road Traffic Law (RTL 41/2016), established severe penal sanctions when drivers, driving under the influence of alcohol (DUI) or drugs (DUID), are involved in road accident that results in death or injuries. A study was carried out to assess the trends of consumption of alcohol, illicit drugs or pharmaceutical among injured drivers suspected for DUI or DUID from 2009 to 2016 in the region of Campania (Italy). Confirmation toxicological analyses were performed on 780 blood samples and 1017 urine samples collected from 1797 injured drivers...
May 9, 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
#17
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
#18
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
#19
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/29793189/effects-of-exposure-to-anti-vaping-public-service-announcements-among-current-smokers-and-dual-users-of-cigarettes-and-electronic-nicotine-delivery-systems
#20
Andy S L Tan, Vaughan W Rees, Justin Rodgers, Emeka Agudile, Natasha A Sokol, Kyeungyeun Yie, Ashley Sanders-Jackson
INTRODUCTION: Anti-vaping public service announcements (PSAs) are intended to discourage vaping or use of electronic nicotine delivery systems (ENDS). However, vaping portrayals in PSAs may have unintended effects if they increase smoking or vaping urges. This study examined benefits and unintended effects of anti-vaping PSAs with vapor portrayals on smoking and vaping-related outcomes. METHODS: Young adult smokers (N = 171) and dual users (N = 122) aged 21-30 years were randomly assigned to view: 1) anti-vaping PSAs with vapor; 2) anti-vaping PSAs without vapor; 3) physical activity PSAs; or 4) anti-smoking PSAs with smoking cues...
May 16, 2018: Drug and Alcohol Dependence
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