bluuebunny/crossref_metadata_2025_split huggingface dataset:
Recent developments in molecular docking technology applied in food science: a review
Authors: Tao Xuan , Huang Yukun , Wang Chong , Chen Fang , Yang Lingling , Ling Li , Che Zhenming , Chen Xianggui 
Published: August 2019

SummaryMolecular docking is a theoretical simulation method based on bioinformatics, which studies the interaction between molecules (such as ligands and receptors), and predicts their binding modes and affinity via a computer platform. This technology acts as a promising mean in medicinal chemistry such as structure‐based rational drug design, which is accepted by researchers in the scientific community. During recent years, various fundamental studies involving biomolecular interaction in the food matrix have gradually emerged. The remarkable advantages of molecular docking such as predicting experiments are attracting increasing attention for its application potential in various fields. This review presents the theory and software development of molecular docking, and emphasises its application in the field of food science, including nutritional components and food safety. Moreover, the operational mechanisms of molecular docking are further summarised in this review.
Nocturnal dipping status and the association of morning blood pressure surge with subclinical target organ damage in untreated hypertensives
Authors: Gong Shenzhen , Liu Kai , Ye Runyu , Li Jiangbo , Yang Changqiang , Chen Xiaoping 
Published: August 2019

AbstractThe authors aimed to investigate the association between sleep‐through morning surge (MS) in blood pressure (BP) and subclinical target organ damage in untreated hypertensives with different nocturnal dipping status. This cross‐sectional study included 1252 individuals who underwent anthropometric measurements, serum biochemistry evaluation, 24‐hour ambulatory blood pressure monitoring, echocardiography, and carotid ultrasonography. Left ventricular mass index, left atrial dimension, and carotid intima‐media thickness were evaluated. Participants were grouped according to nocturnal systolic BP dipping rate (388 dippers, 10%‐20%; 674 non‐dippers, 0%‐10%; 190 reverse dippers, <0%). Twenty‐two extreme dippers were excluded. While reverse dippers exhibited the most severe signs of damage, only dippers showed significant and positive correlation between MS and hypertension‐mediated organ damage (all P < .05), with significant area under the receiver operating characteristic curve for discriminating left ventricular hypertrophy (0.662), left atrial enlargement (0.604), and carotid intima‐media thickening (left, 0.758; right, 0.726; all P < .05). MS showed significant association with subclinical organ damage on both logistic and multiple linear regression analysis adjusted for age, sex, body mass index, smoking status, and alcohol consumption status, as well as for the levels of fasting blood glucose, uric acid, serum creatinine, high‐density lipoprotein cholesterol, and low‐density lipoprotein cholesterol, even when 24‐hour, daytime, nocturnal, and morning systolic BP were included (odds ratio >1 and P < .01 for all types of damage). Besides race, nocturnal dipping status might affect the role of MS in subclinical target organ damage, with a significant association only in dippers, independent of other systolic BP parameters. Dipping status might account for the discrepancies across previous reports.
Microbiome in maintained periodontitis and its shift over a single maintenance interval of 3 months
Authors: Lu Hongye , Zhao Yibing , Feng Xianghui , He Lu , Meng Huanxin 
Published: August 2019

AbstractAimTo assess the subgingival microbial shift of maintained periodontitis treated by ultrasonic scaling (US) or air polishing (AP) during a 3‐month maintenance interval.Materials and methodsWe conducted a 12‐week randomized split‐mouth controlled trial with US and AP in 17 maintained subjects (bleeding on probing [BOP%] ≤25%, probing depth [PD] ≤5 mm). They were monitored at baseline, week 2, week 8 and week 12. The V3‐V4 region of the 16S rDNA from 136 subgingival plaque samples was sequenced and analysed.ResultsTreatment by US or AP could effectively reduce the PD, microbial richness, diversity, periodontitis‐associated microbiota and pathogenic metabolism in maintained periodontitis. Bacteria recolonized after treatment and returned to the pre‐treatment level 12 weeks after treatment. Ultrasonic scaling group demonstrated slight advantage in reducing BOP (%), pathogenic bacteria and metabolism than AP group. Pathogenic microbiota and commensal microbiota kept a balance in subgingival community of maintained patients during the 3‐month interval.ConclusionsTreatment by US or AP effectively reduced the pathogenicity of subgingival microbiome by reducing microbial diversity, proportion of periodontitis‐associated microbiota and pathogenic metabolism. It helped to keep a balanced subgingival community and stable periodontal condition over a single maintenance interval of 3 months.
Passage survival of European and American eels at Francis and propeller turbines
Authors: Heisey Paul G. , Mathur Dilip , Phipps Joanne L. , Avalos Jerry Christopher , Hoffman Cory E. , Adams Steven W. , De‐Oliveira Eric 
Published: August 2019

AbstractWe present the magnitude of losses of European eel Anguilla anguilla and American eel A. rostrata in passage through propeller and Francis turbines at hydroelectric projects. Survival and injury rates and types were turbine type related. Overall, eel survival was higher (mean ± 90% CI = 95.1 ± 5.3%,) and injury rate lower (12.5 ± 10.5) at Francis than propeller turbines (survival = 80.7 ± 6.4%; injury rate = 25.7 ± 7.9%). The common injury type at Francis turbines was bruises and at propeller turbines was severance. Blade shape and thickness of the leading edge of the blades (rounded, thick buckets of Francis turbines v. flatter, sharper edged blades in propeller turbines); eel entry routes into the turbines; their flexible, cylindrical body shape and orientation probably contributed to these differences. Relationship between survival and injury and turbine characteristics was turbine specific. For Francis turbines, one negative correlation (r = −0.986, P < 0.01) between survival and runner speed was found and two positive correlations between injury rates and fish length (r = 0.740, P < 0.10) and number of blades (r = 0.835, P < 0.05) were noted for propeller turbines. Several severely injured eels remained active 48 h after turbine passage suggesting caution is warranted when using telemetric movement for estimating eel survival. We conclude there is a need to (a) better understand travel paths and approach orientation of eels through turbines; (b) determine where only eel passage is of concern at hydropower plants that have both turbine types and therefore preferential operation of Francis turbines may be considered; (c) inform hydropower plant operators where turbine replacement is being considered and downstream eel passage is of concern that replacement by Francis or bulb turbines may prove beneficial for eel passage.
Heterogeneous outcome reporting in adult slow‐transit constipation studies: Systematic review towards a core outcome set
Authors: Heemskerk Stella C M , Rotteveel Adriënne H , Melenhorst Jarno , Breukink Stéphanie O , Kimman Merel L , Dirksen Carmen D 
Published: August 2019

AbstractBackground and AimStandardizing evaluative outcomes and their assessment facilitates comparisons between clinical studies and provides a basis for comparing direct effects of different treatment options. The aim of this study was to systematically review types of outcomes and measurement instruments used in studies regarding treatment options for slow‐transit constipation (STC) in adults.MethodsIn this systematic review of the literature, we searched MEDLINE, Embase, and PsycINFO from inception through February 2018, for papers assessing any STC treatment in adult patients. Outcomes were systematically extracted and categorized in domains using the conceptual framework of the Outcome Measures in Rheumatology filter 2.0. Outcome reporting was stratified by decade of publication, intervention, and study type.ResultsForty‐seven studies were included in this systematic review. Fifty‐nine different types of outcomes were identified. The outcomes were structured in three core areas and 18 domains. The most commonly reported domains were defecation functions (94%), gastrointestinal transit (53%), and health‐care service use (51%). The most frequently reported outcomes were defecation frequency (83%), health‐related quality of life (43%), and adverse events and complications (43%). In 62% of the studies, no primary outcome was defined, whereas in two studies, more than one primary outcomes were selected. A wide diversity of measurement instruments was used to assess the reported outcomes.ConclusionOutcomes reported in studies on STC in adults are heterogeneous. A lack of standardization complicates comparisons between studies. Developing a core outcome set for STC in adults could contribute to standardization of outcome reporting in (future) studies.
Metabotropic glutamate receptor 5 (mGlu5)‐positive allosteric modulators differentially induce or potentiate desensitization of mGlu5 signaling in recombinant cells and neurons
Authors: Hellyer Shane D. , Albold Sabine , Sengmany Kathy , Singh Junaid , Leach Katie , Gregory Karen J. 
Published: August 2019

AbstractAllosteric modulators of metabotropic glutamate receptor 5 (mGlu5) are a promising therapeutic strategy for a number of neurological disorders. Multiple mGlu5‐positive allosteric modulator (PAM) chemotypes have been discovered that act as either pure PAMs or as PAM‐agonists in recombinant and native cells. While these compounds have been tested in paradigms of receptor activation, their effects on receptor regulatory processes are largely unknown. In this study, acute desensitization of mGlu5 mediated intracellular calcium mobilization by structurally diverse mGlu5 orthosteric and allosteric ligands was assessed in human embryonic kidney 293 cells and primary murine neuronal cultures from both striatum and cortex. We aimed to determine the intrinsic efficacy and modulatory capacity of diverse mGlu5 PAMs [(R)‐5‐((3‐fluorophenyl)ethynyl)‐N‐(3‐hydroxy‐3‐methylbutan‐2‐yl)picolinamide (VU0424465), N‐cyclobutyl‐6‐((3‐fluorophenyl)ethynyl)picolinamide (VU0360172), 1‐(4‐(2,4‐difluorophenyl)piperazin‐1‐yl)‐2‐((4‐fluorobenzyl)oxy)ethanone (DPFE), ((4‐fluorophenyl) (2‐(phenoxymethyl)‐6,7‐dihydrooxazolo[5,4‐c]pyridin‐5(4H)‐yl)methanone) (VU0409551), 3‐Cyano‐N‐(1,3‐diphenyl‐1H‐pyrazol‐5‐yl)benzamide (CDPPB)] on receptor desensitization and whether cellular context influences receptor regulatory processes. Only VU0424465 and VU0409551 induced desensitization alone in human embryonic kidney 293‐mGlu5 cells, while all PAMs enhanced (S)‐3,5‐dihydroxyphenylglycine (DHPG)‐induced desensitization. All mGlu5 PAMs induced receptor desensitization alone and enhanced DHPG‐induced desensitization in striatal neurons. VU0424465 and VU0360172 were the only PAMs that induced desensitization alone in cortical neurons. With the exception of (CDPPB), PAMs enhanced DHPG‐induced desensitization in cortical neurons. Moreover, differential apparent affinities, efficacies, and cooperativities with DHPG were observed for VU0360172, VU0409551, and VU0424465 when comparing receptor activation and desensitization in a cell type‐dependent manner. These data indicate that biased mGlu5 allosteric modulator pharmacology extends to receptor regulatory processes in a tissue dependent manner, adding yet another layer of complexity to rational mGlu5 drug discovery.
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NYX‐2925 induces metabotropic N‐methyl‐d‐aspartate receptor (NMDAR) signaling that enhances synaptic NMDAR and α‐amino‐3‐hydroxy‐5‐methyl‐4‐isoxazolepropionic acid receptor
Authors: Bowers M. Scott , Cacheaux Luisa P. , Sahu Srishti U. , Schmidt Mary E. , Sennello Joseph A. , Leaderbrand Katherine , Khan M. Amin , Kroes Roger A. , Moskal Joseph R. 
Published: August 2019

AbstractN‐methyl‐d‐aspartate receptors (NMDARs) mediate both physiological and pathophysiological processes, although selective ligands lack broad clinical utility. NMDARs are composed of multiple subunits, but N‐methyl‐d‐aspartate receptor subunit 2 (GluN2) is predominately responsible for functional heterogeneity. Specifically, the GluN2A‐ and GluN2B‐containing subtypes are enriched in adult hippocampus and cortex and impact neuronal communication via dynamic trafficking into and out of the synapse. We sought to understand if ((2S, 3R)‐3‐hydroxy‐2‐((R)‐5‐isobutyryl‐1‐oxo‐2,5‐diazaspiro[3,4]octan‐2‐yl) butanamide (NYX‐2925), a novel NMDAR modulator, alters synaptic levels of GluN2A‐ or GluN2B‐containing NMDARs. Low‐picomolar NYX‐2925 increased GluN2B colocalization with the excitatory post‐synaptic marker post‐synaptic density protein 95 (PSD‐95) in rat primary hippocampal neurons within 30 min. Twenty‐four hours following oral administration, 1 mg/kg NYX‐2925 increased GluN2B in PSD‐95‐associated complexes ex vivo, and low‐picomolar NYX‐2925 regulated numerous trafficking pathways in vitro. Because the NYX‐2925 concentration that increases synaptic GluN2B was markedly below that which enhances long‐term potentiation (mid‐nanomolar), we sought to elucidate the basis of this effect. Although NMDAR‐dependent, NYX‐2925‐mediated colocalization of GluN2B with PSD‐95 occurred independent of ion flux, as colocalization increased in the presence of either the NMDAR channel blocker (5R,10S)‐(–)‐5‐Methyl‐10,11‐dihydro‐5H‐dibenzo[a,d]cyclohepten‐5,10‐imine hydrogen maleate or glycine site antagonist 7‐chlorokynurenic acid. Moreover, while mid‐nanomolar NYX‐2925 concentrations, which do not increase synaptic GluN2B, enhanced calcium transients, functional plasticity was only enhanced by picomolar NYX‐2925. Thus, NYX‐2925 concentrations that increase synaptic GluN2B facilitated the chemical long‐term potentiation induced insertion of synaptic α‐amino‐3‐hydroxy‐5‐methyl‐4‐isoxazolepropionic acid receptor GluA1 subunit levels. Basal (unstimulated by chemical long‐term potentiation) levels of synaptic GluA1 were only increased by mid‐nanomolar NYX‐2925. These data suggest that NYX‐2925 facilitates homeostatic plasticity by initially increasing synaptic GluN2B via metabotropic‐like NMDAR signaling.
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Cover Image for this issue: doi: 10.1111/jnc.14735.
First report of Bipolaris bicolor causing a leaf spot disease on rubber tree
Authors: Liang Xiaoyu , Peng Yun , Liu Yanchao , Wang Meng , Yang Ye , Zhang Yu 
Published: August 2019

AbstractThe rubber tree (Hevea brasiliensis) is the only resource for commercial natural rubber production and thus has economic importance in Southeast Asia. A spot disease on the leaves of a rubber tree was first discovered in 2017 in Hainan, China. In this study, the fungal isolate MA1 from the infected tissues was determined to be a pathogen of the spot disease by satisfying Koch's postulates. The isolate MA1 was identified as Bipolaris bicolor based on the morphological characteristics and multigene phylogenetic analysis. Among fungicides, prochloraz, iprodione and pyraclostrobin significantly inhibited hyphal growth of B. bicolor under in vitro conditions. This study constitutes the first report on the association of B. bicolor with leaf spot disease of rubber trees worldwide.
DarkDivNet – A global research collaboration to explore the dark diversity of plant communities
Authors: Pärtel Meelis , Carmona Carlos P. , Zobel Martin , Moora Mari , Riibak Kersti , Tamme Riin 
Published: August 2019

AbstractDarkDivNet is a global research collaboration which explores dark diversity — the set of species that are absent from a site despite being suitable under the site conditions and present in the region. Participants of the network survey vascular plant diversity both at local (10 m × 10 m) and regional scales (radius 10 km) using a standardized approach. They also measure simple plant traits and collect soil samples. Observed and dark diversity together form the site‐specific species pool, and the ratio of observed diversity and dark diversity describes community completeness. We shall explore how observed and dark diversity, site‐specific species pool and community completeness vary across natural and anthropogenic gradients. We link plant diversity measures to the information obtained from environmental DNA: soil biota and plant taxa that occurred at the site before. We will refine existing dark diversity methods and use large vegetation databases to infer species habitat suitability. We expand the dark diversity concept from a purely taxonomy‐based approach to include the functional and phylogenetic aspects of diversity. DarkDivNet currently includes 161 planned sampling areas globally, but new participants are welcome. The main vegetation sampling period is scheduled until September 2020, with the first research papers being produced after that.
Molecular typing of clinical and environmental isolates of Cryptococcus gattii species complex from southern California, United States
Authors: Hurst Steven , Lysen Colleen , Cooksey Gail , Vugia Duc J. , Litvintseva Anastasia P. , Lockhart Shawn R. 
Published: August 2019

SummaryBackgroundTwo species complexes (SC) cause the majority of human Cryptococcus infections: Cryptococcus neoformans SC and Cryptococcus gattii SC. Infection is typically thought to be acquired following environmental exposure. In an urban setting, parks and other public spaces are a likely source of contact with C. gattii SC.ObjectivesThe goals of this study were to describe the genetic diversity of C. gattii SC in the California environment, to determine the extent of environmental exposure in publicly accessed areas and to correlate the genotypes of environmental C. gattii SC isolates with those from patients in southern California.MethodsSpecimens from trees and soil from 13 parks and public areas of seven California counties were examined for C. gattii SC isolates. Isolates were sequence typed and compared to sequence types from human clinical isolates from the same area.ResultsMultilocus sequence typing identified C. gattii sensu stricto (VGI molecular type) as well as Cryptococcus bacillisporus (VGIII molecular type). Several C. bacillisporus but none of the C. gattii sensu stricto isolates shared sequence types with human clinical isolates from southern California.ConclusionsC. gattii SC colonies exist in some California public parks. The presence of identical STs in environmental and human isolates of C. bacillisporus is suggestive of an arboreal origin of human infections. Two new tree species were documented as hosts for C. gattii SC in California, adding to the four species previously identified.
Estimated burden of fungal infections in Sweden
Authors: Özenci Volkan , Klingspor Lena , Ullberg Måns , Chryssanthou Erja , Denning David W. , Kondori Nahid 
Published: August 2019

SummaryThe aim of this study was to estimate the annual burden of fungal infections in Sweden using data mainly from 2016. Data on specific populations were obtained from Swedish national data registries. Annual incidence and prevalence of fungal disease was calculated based on epidemiological studies. Data on infections due to Cryptococcus sp., Mucorales, Histoplasma capsulatum, Coccidioides immitis and Pneumocystis jirovecii were retrieved from Karolinska University Laboratory and covers only 25% of Swedish population. In 2016, the population of Sweden was 9 995 153 (49.8% female). The overall burden of fungal infections was 1 713 385 (17 142/100 000). Superficial fungal infections affect 1 429 307 people (1429/100 000) based on Global Burden of Disease 14.3% prevalence. Total serious fungal infection burden was 284 174 (2843/100 000) in 2016. Recurrent Candida vulvovaginitis is common; assuming a 6% prevalence in women. Prevalence of allergic bronchopulmonary aspergillosis and severe asthma with fungal sensitisation were estimated to be 20 095 and 26 387, respectively. Similarly, chronic pulmonary aspergillosis was estimated to affect 490 patients after tuberculosis, sarcoidosis and other conditions. Candidemia incidence was estimated to be 500 in 2016 (4.7/100 000) and invasive aspergillosis 295 (3.0/100 000). In Stockholm area, Mucorales were reported in three patients in 2015, while Cryptococcus spp. were reported in two patients. In 2016, there were 297 patients PCR positive for P jirovecii. The present study shows that the overall burden of fungal infections in Sweden is high and affects 17% of the population. The morbidity, mortality and the healthcare‐related costs due to fungal infections warrant further studies.
Anatomical Evaluation of the Sacral Hiatus Using Ultrasound Imaging: Factors That Inhibit Needle Insertion During Caudal Epidural Block Procedures
Authors: Nakahashi Masahiro , Uei Hiroshi , Hoshino Masahiro , Omori Keita , Igarashi Hidetoshi , Tokuhashi Yasuaki 
Published: August 2019

AbstractObjectiveCaudal epidural blocks often fail due to the difficulty of appropriate needle insertion. This study aimed to evaluate the anatomy of the sacral hiatus using ultrasound imaging.MethodsThis was a retrospective study involving 76 patients with spinal disorders. The following factors were analyzed to see if they affected the palpability of the sacral hiatus: sex, body mass index (BMI), and the morphology of the sacral hiatus on ultrasound imaging. The difficulty of needle insertion and the factors that influenced it were investigated in 28 of the 76 patients, who underwent landmark‐based caudal epidural block procedures performed by the same doctor.ResultsAmong the 76 patients, the mean length of the sacral hiatus was 21.3 ± 5.6 mm, the mean distance from the skin to the sacral cornua was 5.2 ± 3.4 mm, and the mean angle of the sacral hiatus was 16.4 ± 5.5 degrees. Sacral base protrusion was present and absent in 35 and 41 cases, respectively. The sacral hiatus exhibited good and poor palpability in 53 and 23 cases, respectively. The mean distance from the skin to the sacral cornua and BMI were found to significantly influence the palpability of the sacral hiatus. Only sacral base protrusion significantly influenced the difficulty of needle insertion.ConclusionThe mean distance from the skin to the sacral cornua and BMI were found to be associated with the palpability of the sacral hiatus, and sacral base protrusion was demonstrated to be associated with the difficulty of needle insertion into the sacral hiatus.