keyword
MENU ▼
Read by QxMD icon Read
search

Structure prediction

keyword
https://www.readbyqxmd.com/read/28088041/the-role-of-the-ifg-and-psts-in-syntactic-prediction-evidence-from-a-parametric-study-of-hierarchical-structure-in-fmri
#1
William Matchin, Christopher Hammerly, Ellen Lau
Sentences encode hierarchical structural relations among words. Several neuroimaging experiments aiming to localize combinatory operations responsible for creating this structure during sentence comprehension have contrasted short, simple phrases and sentences to unstructured controls. Some of these experiments have revealed activation in the left inferior frontal gyrus (IFG) and posterior superior temporal sulcus (pSTS), associating these regions with basic syntactic combination. However, the wide variability of these effects across studies raises questions about this interpretation...
December 18, 2016: Cortex; a Journal Devoted to the Study of the Nervous System and Behavior
https://www.readbyqxmd.com/read/28088023/a-novel-model-to-predict-gas-phase-hydroxyl-radical-oxidation-kinetics-of-polychlorinated-compounds
#2
Shuang Luo, Zongsu Wei, Richard Spinney, Zhihui Yang, Liyuan Chai, Ruiyang Xiao
In this study, a novel model based on aromatic meta-substituent grouping was presented to predict the second-order rate constants (k) for OH oxidation of PCBs in gas-phase. Since the oxidation kinetics are dependent on the chlorination degree and position, we hypothesized that it may be more accurate for k value prediction if we group PCB congeners based on substitution positions (i.e., ortho (o), meta (m), and para (p)). To test this hypothesis, we examined the correlation of polarizability (α), a quantum chemical based descriptor for k values, with an empirical Hammett constant (σ(+)) on each substitution position...
January 4, 2017: Chemosphere
https://www.readbyqxmd.com/read/28087842/novel-determinants-of-mammalian-primary-microrna-processing-revealed-by-systematic-evaluation-of-hairpin-containing-transcripts-and-human-genetic-variation
#3
Christine Anne Roden, Jonathan Gaillard, Shaveta Kanoria, William Rennie, Syndi Barish, Jijun Cheng, Wen Pan, Jun Liu, Chris Cotsapas, Ye Ding, Jun Lu
Mature microRNAs (miRNAs) are processed from hairpin-containing primary miRNAs (pri-miRNAs). However, rules that distinguish pri-miRNAs from other hairpin-containing transcripts in the genome are incompletely understood. By developing a computational pipeline to systematically evaluate 30 structural and sequence features of mammalian RNA hairpins, we report several new rules that are preferentially utilized in miRNA hairpins and govern efficient pri-miRNA processing. We propose that a hairpin stem length of 36+/-3nt is optimal for pri-miRNA processing...
January 13, 2017: Genome Research
https://www.readbyqxmd.com/read/28087797/the-cascading-effects-of-marginalization-and-pathways-of-resilience-in-attaining-good-health-among-lgbt-older-adults
#4
Karen I Fredriksen-Goldsen, Hyun-Jun Kim, Amanda E B Bryan, Chengshi Shiu, Charles A Emlet
PURPOSE OF THE STUDY: Lesbian, gay, bisexual, and transgender (LGBT) older adults comprise a diverse and growing health disparate population. In the present study, using the Health Equity Promotion Model, we investigated pathways by which LGBT older adults experience resilience, risk, and marginalization and their relationship to attaining positive health outcomes. DESIGN AND METHODS: Aging with Pride: National Health, Aging, and Sexuality/Gender Study (NHAS) is the first longitudinal research project designed to examine the health, aging, and well-being of LGBT adults aged 50 and older...
February 2017: Gerontologist
https://www.readbyqxmd.com/read/28087422/nano-qsar-in-cell-biology-model-of-cell-viability-as-a-mathematical-function-of-available-eclectic-data
#5
Alla P Toropova, Andrey A Toropov
The prediction of biochemical endpoints is an important task of the modern medicinal chemistry, cell biology, and nanotechnology. Simplified molecular input-line entry system (SMILES) is a tool for representation of the molecular structure. In particular, SMILES can be used to build up the quantitative structure - property / activity relationships (QSPRs/QSARs). The QSPR/QSAR is a tool to predict an endpoint for a new substance, which has not been examined in experiment. Quasi-SMILES are representation of eclectic data related to an endpoint...
January 10, 2017: Journal of Theoretical Biology
https://www.readbyqxmd.com/read/28087398/interaction-of-mal-de-r%C3%A3-o-cuarto-virus-fijivirus-genus-proteins-and-identification-of-putative-factors-determining-viroplasm-formation-and-decay
#6
Gabriela Llauger, Luis Alejandro de Haro, Victoria Alfonso, Mariana Del Vas
Mal de Río Cuarto virus (MRCV) is a member of the Fijivirus genus, within the Reoviridae family, that replicates and assembles in cytoplasmic inclusion bodies called viroplasms. In this study, we investigated interactions between ten MRCV proteins by yeast two-hybrid (Y2H) assays and identified interactions of non-structural proteins P6/P6, P9-2/P9-2 and P6/P9-1. P9-1 and P6 are the major and minor components of the viroplasms respectively, whereas P9-2 is an N-glycosylated membrane protein of unknown function...
January 10, 2017: Virus Research
https://www.readbyqxmd.com/read/28087198/cloning-characterization-and-transmission-blocking-potential-of-midgut-carboxypeptidase-a-in-anopheles-stephensi
#7
V VenkatRao, Surendra K Kumar, P Sridevi, Vijaykumar Muley, R K Chaitanya
Transmission-blocking vaccines (TBV) interrupt malaria parasite transmission and hence form an important component for malaria eradication. Mosquito midgut exopeptidases such as aminopeptidase N & carboxypeptidase B have demonstrated TBV potential. In the present study, we cloned and characterized carboxypeptidase A (CPA) from the midgut of an important malarial vector, Anopheles stephensi. ClustalW amino acid alignment and in silico 3-dimensional structure analysis of CPA predicted the presence of active sites involved in zinc and substrate binding that are conserved among all the known mosquito species...
January 10, 2017: Acta Tropica
https://www.readbyqxmd.com/read/28087179/value-of-serum-n-terminal-b-type-natriuretic-peptide-in-asymptomatic-structural-heart-disease-in-taiwanese-population-comparisons-with-current-esc-guidelines
#8
Ta-Chuan Hung, Kuang-Te Wang, Chun-Ho Yun, Jen-Yuan Kuo, Charles Jia-Yin Hou, Chia-Yuan Liu, Tung-Hsin Wu, Hiram G Bezerra, Hsiao-Yang Cheng, Chung-Lieh Hung, Hung-I Yeh
BACKGROUND: The relationship between N-terminal pro-brain natriuretic peptide (NT-proBNP) and cardiac structural or functional anomalies in pre-clinical, asymptomatic Asian populations has not been well identified. METHODS: From October 2005 to March 2008, we enrolled consecutive asymptomatic adults with preserved global left ventricular (LV) function (ejection fraction>50%) who underwent annual cardiovascular health survey. Circulating NT-proBNP was used to identify echo-defined cardiac structural/functional anomalies and compared to current recommended cut-off from the European Society of Heart Failure...
December 29, 2016: International Journal of Cardiology
https://www.readbyqxmd.com/read/28086895/design-optimization-of-stent-and-its-dilatation-balloon-using-kriging-surrogate-model
#9
Hongxia Li, Tao Liu, Minjie Wang, Danyang Zhao, Aike Qiao, Xue Wang, Junfeng Gu, Zheng Li, Bao Zhu
BACKGROUND: Although stents have great success of treating cardiovascular disease, it actually undermined by the in-stent restenosis and their long-term fatigue failure. The geometry of stent affects its service performance and ultimately affects its fatigue life. Besides, improper length of balloon leads to transient mechanical injury to the vessel wall and in-stent restenosis. Conventional optimization method of stent and its dilatation balloon by comparing several designs and choosing the best one as the optimal design cannot find the global optimal design in the design space...
January 11, 2017: Biomedical Engineering Online
https://www.readbyqxmd.com/read/28081509/in-silico-prediction-of-toxicity-of-phenols-to-tetrahymena-pyriformis-by-using-genetic-algorithm-and-decision-tree-based-modeling-approach
#10
Fatemeh Abbasitabar, Vahid Zare-Shahabadi
Risk assessment of chemicals is an important issue in environmental protection; however, there is a huge lack of experimental data for a large number of end-points. The experimental determination of toxicity of chemicals involves high costs and time-consuming process. In silico tools such as quantitative structure-toxicity relationship (QSTR) models, which are constructed on the basis of computational molecular descriptors, can predict missing data for toxic end-points for existing or even not yet synthesized chemicals...
January 2, 2017: Chemosphere
https://www.readbyqxmd.com/read/28081507/occurrence-fate-and-environmental-risk-of-linear-alkylbenzene-sulfonate-in-the-langat-and-selangor-river-basins-malaysia
#11
Nobumitsu Sakai, Junichi Shirasaka, Yasuto Matsui, Mohd Redzuan Ramli, Kousuke Yoshida, Mustafa Ali Mohd, Minoru Yoneda
Five homologs (C10-C14) of linear alkylbenzene sulfonate (LAS) were quantitated in surface water collected in the Langat and Selangor River basins using liquid chromatography-tandem mass spectrometry (LC-MS/MS). A geographic information system (GIS) was used to spatially analyze the occurrence of LAS in both river basins, and the LAS contamination associated with the population was elucidated by spatial analysis at a sub-basin level. The LAS concentrations in the dissolved phase (<0.45 μm) and 4 fractions separated by particle size (<0...
December 31, 2016: Chemosphere
https://www.readbyqxmd.com/read/28081135/rumor-detection-over-varying-time-windows
#12
Sejeong Kwon, Meeyoung Cha, Kyomin Jung
This study determines the major difference between rumors and non-rumors and explores rumor classification performance levels over varying time windows-from the first three days to nearly two months. A comprehensive set of user, structural, linguistic, and temporal features was examined and their relative strength was compared from near-complete date of Twitter. Our contribution is at providing deep insight into the cumulative spreading patterns of rumors over time as well as at tracking the precise changes in predictive powers across rumor features...
2017: PloS One
https://www.readbyqxmd.com/read/28081015/the-prospects-of-phosphorene-as-an-anode-material-for-high-performance-lithium-ion-batteries-a-fundamental-study
#13
Congyan Zhang, Ming Yu, George Anderson, Ruchira Ravinath Dharmasena, Gamini Sumanasekera
To completely understand lithium adsorption, diffusion, and capacity on the surface of phosphorene and, therefore, the prospects of phosphorene as an anode material for high-performance lithium-ion batteries (LIBs), we carried out density-functional-theory calculations and studied the lithium adsorption energy landscape, the lithium diffusion mobility, the lithium intercalation, and the lithium capacity of phosphorene. We also carried out, for the very first time, experimental measurement of the lithium capacity of phosphorene...
January 12, 2017: Nanotechnology
https://www.readbyqxmd.com/read/28081008/elastic-properties-of-amorphous-t-0-75y0-75b14-t%C3%A2-%C3%A2-%C3%A2-%C3%A2-sc-ti-v-y-zr-nb-and-the-effect-of-o-incorporation-on-bonding-density-and-elasticity-t-%C3%A2-%C3%A2-%C3%A2-%C3%A2-ti-zr
#14
Oliver Hunold, Philipp Keuter, Pascal Bliem, Denis Music, Friederike Wittmers, Anna L Ravensburg, Daniel Primetzhofer, Jochen M Schneider
We have systematically studied the effect of transition metal valence electron concentration (VEC) of amorphous T 0.75Y0.75B14 (a-T 0.75Y0.75B14, T  =  Sc, Ti, V, Y, Zr, Nb) on the elastic properties, bonding, density and electronic structure using ab initio molecular dynamics. As the transition metal VEC is increased in both periods, the bulk modulus increases linearly with molar- and mass density. This trend can be understood by a concomitant decrease in cohesive energy. T'  =  Ti and Zr were selected to validate the predicted data experimentally...
January 12, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28080145/neuropsychological-predictors-of-odd-symptom-dimensions-in-young-children
#15
Shayl F Griffith, David H Arnold, Benjamin Rolon-Arroyo, Elizabeth A Harvey
Oppositional defiant disorder (ODD) is a commonly diagnosed childhood behavior disorder, yet knowledge of relations between ODD and early neuropsychological functions, particularly independent of attention deficit/hyperactivity disorder (ADHD), is still limited. In addition, studies have not examined neuropsychological functioning as it relates to the different ODD symptom dimensions. Structural equation modeling was used to investigate how preschool neuropsychological functioning predicted negative affect, oppositional behavior, and antagonistic behavior symptom dimensions of ODD in 224 six-year-old children, oversampled for early behavior problems...
January 12, 2017: Journal of Clinical Child and Adolescent Psychology
https://www.readbyqxmd.com/read/28080120/a-goal-bias-in-action-the-boundaries-adults-perceive-in-events-align-with-sites-of-actor-intent
#16
Dani Levine, Kathy Hirsh-Pasek, Amy Pace, Roberta Michnick Golinkoff
We live in a dynamic world comprised of continuous events. Remembering our past and predicting future events, however, requires that we segment these ongoing streams of information in a consistent manner. How is this segmentation achieved? This research examines whether the boundaries adults perceive in events, such as the Olympic figure skating routine used in these studies, align with the beginnings (sources) and endings (goals) of human goal-directed actions. Study 1 showed that a group of experts, given an explicit task with unlimited time to rewatch the event, identified the same subevents as one another, but with greater agreement as to the timing of goals than sources...
January 12, 2017: Journal of Experimental Psychology. Learning, Memory, and Cognition
https://www.readbyqxmd.com/read/28080104/measuring-black-men-s-police-based-discrimination-experiences-development-and-validation-of-the-police-and-law-enforcement-ple-scale
#17
Devin English, Lisa Bowleg, Ana Maria Del Río-González, Jeanne M Tschann, Robert P Agans, David J Malebranche
OBJECTIVES: Although social science research has examined police and law enforcement-perpetrated discrimination against Black men using policing statistics and implicit bias studies, there is little quantitative evidence detailing this phenomenon from the perspective of Black men. Consequently, there is a dearth of research detailing how Black men's perspectives on police and law enforcement-related stress predict negative physiological and psychological health outcomes. This study addresses these gaps with the qualitative development and quantitative test of the Police and Law Enforcement (PLE) Scale...
January 12, 2017: Cultural Diversity & Ethnic Minority Psychology
https://www.readbyqxmd.com/read/28080082/parenting-and-later-substance-use-among-mexican-origin-youth-moderation-by-preference-for-a-common-language
#18
Thomas J Schofield, Rosa I Toro, Ross D Parke, Jeffrey T Cookston, William V Fabricius, Scott Coltrane
The primary goal of the current study was to test whether parent and adolescent preference for a common language moderates the association between parenting and rank-order change over time in offspring substance use. A sample of Mexican-origin 7th-grade adolescents (Mage = 12.5 years, N = 194, 52% female) was measured longitudinally on use of tobacco, alcohol, and marijuana. Mothers, fathers, and adolescents all reported on consistent discipline and monitoring of adolescents. Both consistent discipline and monitoring predicted relative decreases in substance use into early adulthood but only among parent-offspring dyads who expressed preference for the same language (either English or Spanish)...
January 12, 2017: Developmental Psychology
https://www.readbyqxmd.com/read/28080062/theoretical-prediction-on-5-radialene-sandwich-complexes-cpm-2-c10h10-cp-%C3%AE-5-c5h5-m-fe-co-ni-geometry-spin-states-and-bonding
#19
Nan-Nan Liu, Ying-Ying Xue, Yi-Hong Ding
[5]radialene, the missing link for synthesis of radialene family, has been finally obtained via the preparation and decomplexation of the [5]radialene-bis-Fe(CO)3 complex. The stability of [5]radialene complex benefits from the coordination with Fe(CO)3 by losing free 1,3-butadiene structures to avoid polymerization. In light of the similar coordination ability of half-sandwiches CpM(Cp = η5-C5H5; M = Fe, Co, Ni), there is a great possibility that the sandwiched complexes of [5]radialene with CpM are available...
January 12, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28080056/metadynamics-simulations-distinguish-short-and-long-residence-time-inhibitors-of-cyclin-dependent-kinase-8
#20
Donatella Callegari, Alessio Lodola, Daniele Pala, Silvia Rivara, Marco Mor, Andrea Rizzi, Anna Maria Capelli
The duration of drug efficacy in vivo is a key aspect primarily addressed during the lead optimization phase of drug discovery. Hence, the availability of robust computational approaches that can predict the residence time of a compound at its target would accelerate candidate selection. Nowadays the theoretical prediction of this parameter is still very challenging. Starting from methods reported in the literature, we set up and validated a new metadynamics (META-D)-based protocol that was used to rank the experimental residence times of 10 arylpyrazole cyclin-dependent kinase 8 (CDK8) inhibitors for which target-bound X-ray structures are available...
January 12, 2017: Journal of Chemical Information and Modeling
keyword
keyword
59621
1
2
Fetch more papers »
Fetching more papers... Fetching...
Read by QxMD. Sign in or create an account to discover new knowledge that matter to you.
Remove bar
Read by QxMD icon Read
×

Search Tips

Use Boolean operators: AND/OR

diabetic AND foot
diabetes OR diabetic

Exclude a word using the 'minus' sign

Virchow -triad

Use Parentheses

water AND (cup OR glass)

Add an asterisk (*) at end of a word to include word stems

Neuro* will search for Neurology, Neuroscientist, Neurological, and so on

Use quotes to search for an exact phrase

"primary prevention of cancer"
(heart or cardiac or cardio*) AND arrest -"American Heart Association"