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https://www.readbyqxmd.com/read/29475176/rational-design-of-methicillin-resistance-staphylococcus-aureus-inhibitors-through-3d-qsar-molecular-docking-and-molecular-dynamics-simulations
#1
Srilata Ballu, Ramesh Itteboina, Sree Kanth Sivan, Vijjulatha Manga
Staphylococcus aureus is a gram positive bacterium. It is the leading cause of skin and respiratory infections, osteomyelitis, Ritter's disease, endocarditis, and bacteraemia in the developed world. We employed combined studies of 3D QSAR, molecular docking which are validated by molecular dynamics simulations and in silico ADME prediction have been performed on Isothiazoloquinolones inhibitors against methicillin resistance Staphylococcus aureus. Three-dimensional quantitative structure-activity relationship (3D-QSAR) study was applied using comparative molecular field analysis (CoMFA) with Q2 of 0...
December 20, 2017: Computational Biology and Chemistry
https://www.readbyqxmd.com/read/29475175/guiding-exploration-in-conformational-feature-space-with-lipschitz-underestimation-for-ab-initio-protein-structure-prediction
#2
Xiaohu Hao, Guijun Zhang, Xiaogen Zhou
Computing conformations which are essential to associate structural and functional information with gene sequences, is challenging due to the high dimensionality and rugged energy surface of the protein conformational space. Consequently, the dimension of the protein conformational space should be reduced to a proper level, and an effective exploring algorithm should be proposed. In this paper, a plug-in method for guiding exploration in conformational feature space with Lipschitz underestimation (LUE) for ab-initio protein structure prediction is proposed...
February 6, 2018: Computational Biology and Chemistry
https://www.readbyqxmd.com/read/29475110/pathological-fracture-risk-assessment-in-patients-with-femoral-metastases-using-ct-based-finite-element-methods-a-retrospective-clinical-study
#3
Amir Sternheim, Ornit Giladi, Yair Gortzak, MIchael Drexler, Moshe Salai, Nir Trabelsi, Charles Milgrom, Zohar Yosibash
Physician recommendation for prophylactic surgical fixation of a femur with metastatic bone disease (MBD) is usually based on Mirels' criteria and clinical experience, both of which suffer from poor specificity. This may result in a significant number of these health compromised patients undergoing unnecessary surgery. CT-based finite element analyses (CTFEA) have been shown to accurately predict strength in femurs with metastatic tumors in an ex-vivo study. In order to assess the utility of CTFEA as a clinical tool to determine the need for fixation of patients with MBD of the femur, an ad hoc CTFEA was performed on a retrospective cohort of fifty patients...
February 20, 2018: Bone
https://www.readbyqxmd.com/read/29475076/from-percept-to-concept-in-the-ventral-temporal-lobes-graded-hemispheric-specialisation-based-on-stimulus-and-task
#4
Paul Hoffman, Matthew A Lambon Ralph
The left and right ventral anterior temporal lobes (vATL) have been implicated as key regions for the representation of conceptual knowledge. However, the nature and degree of hemispheric specialisation in their function is unclear. To address this issue, we investigated hemispheric specialisation in the ventral temporal lobes using a distortion-corrected spin-echo fMRI protocol that enhanced signal in vATL. We employed an orthogonal manipulation of stimulus (written words vs pictured objects) and task (naming vs recognition)...
February 2, 2018: Cortex; a Journal Devoted to the Study of the Nervous System and Behavior
https://www.readbyqxmd.com/read/29474990/estimation-of-stature-from-hand-and-foot-dimensions-in-a-korean-population
#5
Wonjoon Kim, Yong Min Kim, Myung Hwan Yun
The estimation of stature using foot and hand dimensions is essential in the process of personal identification. The shapes of feet and hands vary depending on races and gender, and it is of great importance to design an adequate equation in consideration of variances to estimate stature. This study is based on a total of 5,195 South Korean males and females, aged from 20 to 59 years. Body dimensions of stature, hand length, hand breadth, foot length, and foot breadth were measured according to standard anthropometric procedures...
February 13, 2018: Journal of Forensic and Legal Medicine
https://www.readbyqxmd.com/read/29474963/mass-fabrication-of-uniform-sized-3d-tumor-spheroid-using-high-throughput-microfluidic-system
#6
Bongseop Kwak, Yoohwan Lee, Jaehun Lee, Sungwon Lee, Jiseok Lim
In vivo tumors develop in a three-dimensional manner and have unique and complex characteristics. Physico-biochemical barriers on tumors cause drug resistance and limit drug delivery efficiency. Currently, 2D cancer cell monolayer platforms are frequently used to test the efficiency of new drug materials. However, the monolayer platform generally overestimates drug efficiency because of the absence of physico-biochemical barriers. Many literatures indicated that a 3D tumor spheroid model has very similar characteristics to in vivo tumor models, and studies demonstrated the accurate prediction of drug efficiency using this model...
February 20, 2018: Journal of Controlled Release: Official Journal of the Controlled Release Society
https://www.readbyqxmd.com/read/29474870/improving-revised-international-prognostic-scoring-system-ipss-r-pre-allogeneic-stem-cell-transplant-does-not-translate-into-better-post-transplant-outcomes-for-patients-with-myelodysplastic-syndromes-a-single-center-experience
#7
Musa Alzahrani, Maryse Power, Yasser Abou Mourad, Michael Barnett, Raewyn Broady, Donna Forrest, Alina Gerrie, Donna Hogge, Stephen Nantel, David Sanford, Kevin Song, Heather Sutherland, Cynthia Toze, Thomas Nevill, Sujaatha Narayanan
BACKGROUND: The natural history of patients with myelodysplastic syndromes (MDS) is variable. The revised international prognostic score (IPSS-R) is commonly used in practice to predict outcome in patients with MDS both at diagnosis and pre-transplant. However the effect of change in IPSS-R pre-allogeneic stem cell transplant with chemotherapy or hypomethylating agents on post-transplant outcomes is currently unknown. AIM: We assessed if improvement in IPSS-R prognostic score pre HSCT would result in improvement in clinical outcomes post-transplant...
February 20, 2018: Biology of Blood and Marrow Transplantation
https://www.readbyqxmd.com/read/29474856/interactions-between-immunotoxicants-and-parasite-stress-implications-for-host-health
#8
Ross D Booton, Ryo Yamaguchi, James A R Marshall, Dylan Z Childs, Yoh Iwasa
Many organisms face a wide variety of biotic and abiotic stressors which reduce individual survival, interacting to further reduce fitness. Here we studied the effects of two such interacting stressors: immunotoxicant exposure and parasite infection. We model the dynamics of a within-host infection and the associated immune response of an individual. We consider both the indirect sub-lethal effects on immunosuppression and the direct effects on health and mortality of individuals exposed to toxicants. We demonstrate that sub-lethal exposure to toxicants can promote infection through the suppression of the immune system...
February 20, 2018: Journal of Theoretical Biology
https://www.readbyqxmd.com/read/29474852/forming-groups-of-aggressive-sows-based-on-a-predictive-test-of-aggression-does-not-affect-overall-sow-aggression-or-welfare
#9
Megan Verdon, R S Morrison, P H Hemsworth
This experiment examined the effects of group composition on sow aggressive behaviour and welfare. Over 6 time replicates, 360 sows (parity 1-6) were mixed into groups (10 sows per pen, 1.8 m2 /sow) composed of animals that were predicted to be aggressive (n = 18 pens) or groups composed of animals that were randomly selected (n = 18 pens). Aggressive sows were selected based on a model-pig test that has been shown to be related to the aggressive behaviour of parity 2 sows when subsequently mixed in groups...
February 20, 2018: Behavioural Processes
https://www.readbyqxmd.com/read/29474831/comparative-genomic-analysis-of-rickettsia-rickettsii-for-the-identification-of-drug-and-vaccine-targets-tolc-as-a-proposed-candidate-for-case-study
#10
Pramod Kumar Maurya, Swati Singh, Ashutosh Mani
Antibiotic resistance is increasing rapidly in pathogenic organisms, creating more complications for treatment of diseases. Rocky Mountain spotted fever (RMSF) is a neglected tropical disease in humans caused by Rickettsia rickettsii for which no effective therapeutic is available. Subtractive genomics methods facilitate the characterization of non-homologous essential proteins that could be targeted for the discovery of potential therapeutic compounds against R. rickettsii to combat RMSF. Present study followed an in-silico based methodology, involving scanning and filtering the complete proteome of Rickettsia rickettsii by using several prioritization parameters in the search of potential candidates for drug development...
February 20, 2018: Acta Tropica
https://www.readbyqxmd.com/read/29474742/deep-feature-classification-of-angiomyolipoma-without-visible-fat-and-renal-cell-carcinoma-in-abdominal-contrast-enhanced-ct-images-with-texture-image-patches-and-hand-crafted-feature-concatenation
#11
Hansang Lee, Helen Hong, Junmo Kim, Dae Chul Jung
PURPOSE: To develop an automatic deep feature classification (DFC) method for distinguishing benign angiomyolipoma without visible fat (AMLwvf) from malignant clear cell renal cell carcinoma (ccRCC) from abdominal contrast-enhanced computer tomography (CE CT) images. METHODS: A dataset including 80 abdominal CT images of 39 AMLwvf and 41 ccRCC patients was used. We proposed a DFC method for differentiating the small renal masses (SRM) into AMLwvf and ccRCC using the combination of hand-crafted and deep features, and machine learning classifiers...
February 23, 2018: Medical Physics
https://www.readbyqxmd.com/read/29474738/modelling-the-impact-of-players-workload-on-the-injury-burden-of-english-premier-league-football-clubs
#12
Colin W Fuller
The loss of players through injury is known to affect team performance in many sports; it is important therefore for professional teams to be able to quantify the likely injury-burden that will be encountered throughout a season. A kinetic model, based on the rates at which match and training injuries are sustained and resolved, a team's squad size and the 2017/18 season fixture schedule for teams competing in the English Premier League, is used to produce daily forecasts of injury-burden experienced by a typical team...
February 23, 2018: Scandinavian Journal of Medicine & Science in Sports
https://www.readbyqxmd.com/read/29474684/leaf-turgor-loss-point-is-correlated-with-drought-tolerance-and-leaf-carbon-economics-traits
#13
Shi-Dan Zhu, Ya-Jun Chen, Qing Ye, Peng-Cheng He, Hui Liu, Rong-Hua Li, Pei-Li Fu, Guo-Feng Jiang, Kun-Fang Cao
Leaf turgor loss point (πtlp) indicates the capacity of a plant to maintain cell turgor pressure during dehydration, which has been proven to be strongly predictive of the plant response to drought. In this study, we compiled a data set of πtlp for 1752 woody plant individuals belonging to 389 species from nine major woody biomes in China, along with reduced sample size of hydraulic and leaf carbon economics data. We aimed to investigate the variation of πtlp across biomes varying in water availability. We also tested two hypotheses: (i) πtlp predicts leaf hydraulic safety margins and (ii) it is correlated with leaf carbon economics traits...
February 21, 2018: Tree Physiology
https://www.readbyqxmd.com/read/29474682/a-multisite-longitudinal-study-of-risk-factors-for-incarceration-and-impact-on-mental-health-and-substance-use-among-young-transgender-women-in-the-usa
#14
Jaclyn M White Hughto, Sari L Reisner, Trace S Kershaw, Fredrick L Altice, Katie B Biello, Matthew J Mimiaga, Robert Garofalo, Lisa M Kuhns, John E Pachankis
Background: Transgender women are disproportionately incarcerated in the US relative to the general population. A dearth of research has explored the factors that predict incarceration among transgender women or the longitudinal impact of incarceration on the health of this population. Methods: Between 2012 and 2015, 221 transgender women ages 16-29 from Boston, MA and Chicago, IL were prospectively assessed at baseline, 4, 8 and 12 months. Mixed effects models were used to identify risk factors for incarceration and examine whether incarceration predicts somatic, anxiety and depressive symptoms, illicit drug use, and binge drinking over time, controlling for baseline psychiatric and substance use disorders...
February 21, 2018: Journal of Public Health
https://www.readbyqxmd.com/read/29474646/serum-levels-of-testosterone-and-shbg-in-association-with-body-mass-index-improve-the-predictive-capability-of-consolidate-tumor-biomarkers-in-pre-and-postmenopausal-breast-cancer-patients
#15
Danila Coradini, Annalisa Orenti, Elisabetta Venturelli, Adalberto Cavalleri, Elia Biganzoli, Saro Oriana
Objective: To investigate the contribution of serum levels of testosterone (TS) and sex hormone binding globulin (SHBG) in association with body mass index (BMI) as a surrogate marker of obesity, to the predictive capability of tumor size (T), lymph node (N) and estrogen receptor (ER) status and proliferative activity (TLI). Methods: We investigated 120 women with primary breast cancer and median follow-up of 138 months. Serum levels of TS and SHBG and patient's BMI were evaluated before surgery...
February 21, 2018: Japanese Journal of Clinical Oncology
https://www.readbyqxmd.com/read/29474538/how-the-most-common-mitochondrial-dna-mutation-m-3243a-g-vanishes-from-leukocytes-a-mathematical-model
#16
Reiner A Veitia
Mitochondrial diseases may be caused by alterations of the mitochondrial genome. The pathogenic variant m.3243A>G is one of the most frequent causes of mitochondrial disease and the most common mitochondrial DNA mutation. Patients with a variant in mitochondrial DNA can have a mixture of mutated and wild-type genomes (heteroplasmy). In the case of the pathogenic variant m.3243A>G, the degree of heteroplasmy (H) correlates to some extent with the severity of the disease. Several longitudinal studies, where H is measured at two different time-points, have shown an annual decline in leukocyte H values...
February 20, 2018: Human Molecular Genetics
https://www.readbyqxmd.com/read/29474503/tree-cover-and-species-composition-effects-on-academic-performance-of-primary-school-students
#17
Sivajanani Sivarajah, Sandy M Smith, Sean C Thomas
Human exposure to green space and vegetation is widely recognized to result in physical and mental health benefits; however, to date, the specific effects of tree cover, diversity, and species composition on student academic performance have not been investigated. We compiled standardized performance scores in Grades 3 and 6 for the collective student body in 387 schools across the Toronto District School Board (TDSB), and examined variation in relation to tree cover, tree diversity, and tree species composition based on comprehensive inventories of trees on school properties combined with aerial-photo-based assessments of tree cover...
2018: PloS One
https://www.readbyqxmd.com/read/29474469/compositional-shifts-in-root-associated-bacterial-and-archaeal-microbiota-track-the-plant-life-cycle-in-field-grown-rice
#18
Joseph A Edwards, Christian M Santos-Medellín, Zachary S Liechty, Bao Nguyen, Eugene Lurie, Shane Eason, Gregory Phillips, Venkatesan Sundaresan
Bacterial communities associated with roots impact the health and nutrition of the host plant. The dynamics of these microbial assemblies over the plant life cycle are, however, not well understood. Here, we use dense temporal sampling of 1,510 samples from root spatial compartments to characterize the bacterial and archaeal components of the root-associated microbiota of field grown rice (Oryza sativa) over the course of 3 consecutive growing seasons, as well as 2 sites in diverse geographic regions. The root microbiota was found to be highly dynamic during the vegetative phase of plant growth and then stabilized compositionally for the remainder of the life cycle...
February 23, 2018: PLoS Biology
https://www.readbyqxmd.com/read/29474411/predicting-financial-trouble-using-call-data-on-social-capital-phone-logs-and-financial-trouble
#19
Rishav Raj Agarwal, Chia-Ching Lin, Kuan-Ta Chen, Vivek Kumar Singh
An ability to understand and predict financial wellbeing for individuals is of interest to economists, policy designers, financial institutions, and the individuals themselves. According to the Nilson reports, there were more than 3 billion credit cards in use in 2013, accounting for purchases exceeding US$ 2.2 trillion, and according to the Federal Reserve report, 39% of American households were carrying credit card debt from month to month. Prior literature has connected individual financial wellbeing with social capital...
2018: PloS One
https://www.readbyqxmd.com/read/29474409/a-generative-model-for-scientific-concept-hierarchies
#20
Srayan Datta, Eytan Adar
In many scientific disciplines, each new 'product' of research (method, finding, artifact, etc.) is often built upon previous findings-leading to extension and branching of scientific concepts over time. We aim to understand the evolution of scientific concepts by placing them in phylogenetic hierarchies where scientific keyphrases from a large, longitudinal academic corpora are used as a proxy of scientific concepts. These hierarchies exhibit various important properties, including power-law degree distribution, power-law component size distribution, existence of a giant component and less probability of extending an older concept...
2018: PloS One
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