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https://www.readbyqxmd.com/read/30549072/big-data-analysis-of-ab-initio-molecular-integrals-in-the-neglect-of-diatomic-differential-overlap-approximation
#1
Xin Wu, Pavlo O Dral, Axel Koslowski, Walter Thiel
Most modern semiempirical quantum-chemical (SQC) methods are based on the neglect of diatomic differential overlap (NDDO) approximation to ab initio molecular integrals. Here, we check the validity of this approximation by computing all relevant integrals for 32 typical organic molecules using Gaussian-type orbitals and various basis sets (from valence-only minimal to all-electron triple-ζ basis sets) covering in total more than 15.6 million one-electron (1-e) and 10.3 billion two-electron (2-e) integrals...
December 14, 2018: Journal of Computational Chemistry
https://www.readbyqxmd.com/read/30545444/modulation-of-senoinflammation-by-calorie-restriction-based-on-biochemical-and-omics-big-data-analysis
#2
EunJin Bang, Bonggi Lee, Sang-Gyun Noh, Dae Hyun Kim, Hee Jin Jung, Sugyeong Ha, Byung Pal Yu, Hae Young Chung
Aging is a complex and progressive process characterized by physiological and functional decline with time that increases susceptibility to diseases. Aged-related functional change is accompanied by a low-grade, unresolved chronic inflammation as a major underlying mechanism. In order to explain aging in the context of chronic inflammation, a new integrative concept on age-related chronic inflammation is necessary that encompasses much broader and wider characteristics of cells, tissues, organs, systems, and interactions between immune and non-immune cells, metabolic and non-metabolic organs...
December 14, 2018: BMB Reports
https://www.readbyqxmd.com/read/30541697/artificial-intelligence-for-infectious-disease-big-data-analytics
#3
Zoie S Y Wong, Jiaqi Zhou, Qingpeng Zhang
BACKGROUND: Since the beginning of the 21st century, the amount of data obtained from public health surveillance has increased dramatically due to the advancement of information and communications technology and the data collection systems now in place. METHODS: This paper aims to highlight the opportunities gained through the use of Artificial Intelligence (AI) methods to enable reliable disease-oriented monitoring and projection in this information age. RESULTS AND CONCLUSION: It is foreseeable that together with reliable data management platforms AI methods will enable analysis of massive infectious disease and surveillance data effectively to support government agencies, healthcare service providers, and medical professionals to response to disease in the future...
November 1, 2018: Infection, disease & health
https://www.readbyqxmd.com/read/30540277/beyond-reasonable-drought-hotspots-reveal-a-link-between-the-big-dry-and-cryptosporidiosis-in-australia-s-murray-darling-basin
#4
Aparna Lal, Paul Konings
There is little evidence on how the health impacts of drought vary spatially and temporally. With a focus on waterborne cryptosporidiosis, we identify spatio-temporal hotspots and by using interrupted time series analysis, examine the impact of Australia's Big Dry (2001-2009) in these disease clusters in the Murray Darling Drainage Basin. Analyses revealed a statistically significant hotspot in the north of the Australian Capital Territory (ACT) and a hotspot in the north-eastern end of the basin in Queensland...
December 2018: Journal of Water and Health
https://www.readbyqxmd.com/read/30534409/medication-belief-as-correlate-of-medication-adherence-among-patients-with-diabetes-in-edo-state-nigeria
#5
Olaolorunpo Olorunfemi, Foluso Ojewole
Aim: The study aim was to determine the level of medication adherence, patient medication belief and to determine the correlation between medication belief and medication adherence among patients with diabetes. This is to find out whether medication belief of patient could enhance medication adherence which in turn would promote effective management of diabetic mellitus in Nigeria. Background: The World Health Organization (WHO, 2015) estimated that over 366 million people are affected...
January 2019: Nursing Open
https://www.readbyqxmd.com/read/30532165/feeding-responses-of-the-golden-jackal-after-reduction-of-anthropogenic-food-subsidies
#6
József Lanszki, Matthew W Hayward, Nikolett Nagyapáti
Little is known of the resources that limit or promote the rapidly expanding golden jackal (Canis aureus) population in Europe. We hypothesised that in an area of intensive big game hunting, a reduction of the main food resource (human subsidised big game viscera) would result in dietary switching. We used multivariate analyses to test whether the dietary composition of 200 jackal stomachs varied between two 2-yearly survey occasions, the first without big game viscera removal (availability of 68 kg viscera/year/km2) followed by a period with viscera removal (minimum of 50 kg of viscera/year/km2 removed)...
2018: PloS One
https://www.readbyqxmd.com/read/30530531/muography-of-different-structures-using-muon-scattering-and-absorption-algorithms
#7
S Vanini, P Calvini, P Checchia, A Rigoni Garola, J Klinger, G Zumerle, G Bonomi, A Donzella, A Zenoni
In recent decades, muon imaging has found a plethora of applications in many fields. This technique succeeds to infer the density distribution of big inaccessible structures where conventional techniques cannot be used. The requirements of different applications demand specific implementations of image reconstruction algorithms for either multiple scattering or absorption-transmission data analysis, as well as noise-suppression filters and muon momentum estimators. This paper presents successful results of image reconstruction techniques applied to simulated data of some representative applications...
December 10, 2018: Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
https://www.readbyqxmd.com/read/30529743/statistical-analysis-of-proteomics-data-a-review-on-feature-selection
#8
Marta Lualdi, Mauro Fasano
The spread of "-omics" strategies has strongly changed the way of thinking about the scientific method. Indeed, managing huge amounts of data imposes the replacement of the classical deductive approach with a data-driven inductive approach, so to generate mechanistical hypotheses from data. Data reduction is a crucial step in the process of proteomics data analysis, because of the sparsity of significant features in big datasets. Thus, feature selection methods are applied to obtain a set of features based on which a proteomics signature can be drawn, with a functional significance (e...
December 6, 2018: Journal of Proteomics
https://www.readbyqxmd.com/read/30528489/dynamic-interactions-between-rna-viruses-and-human-hosts-unravelled-by-a-decade-of-next-generation-sequencing
#9
REVIEW
Chaturaka Rodrigo, Fabio Luciani
BACKGROUND: Next generation sequencing (NGS) methods have significantly contributed to a paradigm shift in genomic research for nearly a decade now. These methods have been useful in studying the dynamic interactions between RNA viruses and human hosts. SCOPE OF THE REVIEW: In this review, we summarise and discuss key applications of NGS in studying the host - pathogen interactions in RNA viral infections of humans with examples. MAJOR CONCLUSIONS: Use of NGS to study globally relevant RNA viral infections have revolutionized our understanding of the within host and between host evolution of these viruses...
December 6, 2018: Biochimica et biophysica acta. General subjects
https://www.readbyqxmd.com/read/30527424/overview-of-changes-in-rmd-epidemiology-and-outcome-development-in-the-last-10-years
#10
REVIEW
Suzanne M M Verstappen, Loreto Carmona
Epidemiological studies have been affected by environmental (or technological and societal) changes in the last 10 years, such as the emergence of registries, big data and machine learning algorithms, epigenetics, data protection regulations or a more solid presence of the patient perspective in outcomes research. As a consequence we, epidemiologists, are facing challenges in the design, conduct, and analysis of the studies, as well as on the interpretation of the results. Not everything that is new may be better than the old ways of doing epidemiology...
April 2018: Best Practice & Research. Clinical Rheumatology
https://www.readbyqxmd.com/read/30525919/paraeducator-support-in-integrated-physical-education-as-reflected-by-adults-with-visual-impairments
#11
Justin A Haegele, Takahiro Sato, Xihe Zhu, T Nicole Kirk
The purpose of this study was to examine the reflections of adults with visual impairments regarding paraeducator support during their school-based integrated physical education. An interpretative phenomenological analysis research approach was used, and 9 adults (age 21-34 years; 8 women and 1 man) with visual impairments acted as participants. Semistructured audio-recorded telephone interviews and reflective field notes were sources of data. A 3-step analytic process was adopted for thematic development. Based on the data analysis, 3 interrelated themes emerged: "they wouldn't let me participate"-restriction in the name of safety, "stuck out like a big tree in a field full of poppies"-unwanted social attention and isolation, and "I felt like they weren't trained"-paraeducator disengagement and training needs...
December 11, 2018: Adapted Physical Activity Quarterly: APAQ
https://www.readbyqxmd.com/read/30521578/a-study-for-multiscale-information-transfer-measures-based-on-conditional-mutual-information
#12
Xiaogeng Wan, Lanxi Xu
As the big data science develops, efficient methods are demanded for various data analysis. Granger causality provides the prime model for quantifying causal interactions. However, this theoretic model does not meet the requirement for real-world data analysis, because real-world time series are diverse whose models are usually unknown. Therefore, model-free measures such as information transfer measures are strongly desired. Here, we propose the multi-scale extension of conditional mutual information measures using MORLET wavelet, which are named the WM and WPM...
2018: PloS One
https://www.readbyqxmd.com/read/30509534/comfortable-automotive-seat-design-and-big-data-analytics-a-study-in-thigh-support
#13
Megan Romelfanger, Michael Kolich
This study demonstrates how big data analytics can improve automotive seat design practices pertaining to thigh support and cushion length, a consistent customer complaint across the automotive seating industry. The method featured an analysis of survey feedback (complaint and self-reported anthropometry) obtained from 92,258 buyers of new vehicles in the North American market. Driver seat three dimensional scans from 139 vehicles (representing 12 manufacturers) provided metrics related to cushion length allowing for determination of the percentage of an average occupant's thigh supported by an automotive seat cushion in relation to customer complaints...
February 2019: Applied Ergonomics
https://www.readbyqxmd.com/read/30498370/an-investigation-into-the-efficacy-of-intra-articular-ozone-o-2-o-3-injection-in-patients-with-knee-osteoarthritis-a-systematic-review-and-meta-analysis
#14
REVIEW
Seyed Ahmad Raeissadat, Elnaz Tabibian, Seyed Mansoor Rayegani, Shahram Rahimi-Dehgolan, Arash Babaei-Ghazani
Purpose: This study aimed to review and pool the current literature on intra-articular ozone injection in knee osteoarthritis (OA) patients. Methods: A systematic review of three big databases was performed to identify all English-language randomized clinical trials (RCTs) that evaluated the efficacy of intra-articular ozone injection vs a control injection for knee OA sufferers, using the following two measuring tools: pain VAS and Western Ontario and McMaster Universities Arthritis Index (WOMAC)...
2018: Journal of Pain Research
https://www.readbyqxmd.com/read/30487069/genomics-microbiomics-proteomics-and-metabolomics-in-bronchopulmonary-dysplasia
#15
REVIEW
Charitharth Vivek Lal, Vineet Bhandari, Namasivayam Ambalavanan
Bronchopulmonary Dysplasia (BPD) is a disorder with a multifactorial etiology and highly variable clinical phenotype. Several traditional biomarkers have been identified, but due to the complex disease phenotype, these biomarkers have low predictive accuracy for BPD. In recent years, newer technologies have facilitated the in-depth and unbiased analysis of 'big data' in delineating the diagnosis, pathogenesis, and mechanisms of diseases. Novel systems-biology based 'omic' approaches, including but not limited to genomics, microbiomics, proteomics, and metabolomics may help define the multiple cellular and humoral interactions that regulate normal as well as abnormal lung development and response to injury that are the hallmarks of BPD...
November 2018: Seminars in Perinatology
https://www.readbyqxmd.com/read/30486782/developing-reproducible-bioinformatics-analysis-workflows-for-heterogeneous-computing-environments-to-support-african-genomics
#16
Shakuntala Baichoo, Yassine Souilmi, Sumir Panji, Gerrit Botha, Ayton Meintjes, Scott Hazelhurst, Hocine Bendou, Eugene de Beste, Phelelani T Mpangase, Oussema Souiai, Mustafa Alghali, Long Yi, Brian D O'Connor, Michael Crusoe, Don Armstrong, Shaun Aron, Fourie Joubert, Azza E Ahmed, Mamana Mbiyavanga, Peter van Heusden, Lerato E Magosi, Jennie Zermeno, Liudmila Sergeevna Mainzer, Faisal M Fadlelmola, C Victor Jongeneel, Nicola Mulder
BACKGROUND: The Pan-African bioinformatics network, H3ABioNet, comprises 27 research institutions in 17 African countries. H3ABioNet is part of the Human Health and Heredity in Africa program (H3Africa), an African-led research consortium funded by the US National Institutes of Health and the UK Wellcome Trust, aimed at using genomics to study and improve the health of Africans. A key role of H3ABioNet is to support H3Africa projects by building bioinformatics infrastructure such as portable and reproducible bioinformatics workflows for use on heterogeneous African computing environments...
November 29, 2018: BMC Bioinformatics
https://www.readbyqxmd.com/read/30485424/the-connection-between-social-cohesion-and-personality-a-multilevel-study-in-the-kyrgyz-republic
#17
Mandi M Larsen, Damir Esenaliev, Tilman Brück, Klaus Boehnke
As the discourse around societal cohesion grows and policy makers increasingly turn their attention towards improving cohesion, understanding its role for the lives of individuals becomes ever more important. Our study examines whether the social cohesion of the immediate living context is related to the strength of Big Five personality traits among individuals. Using data from a community survey of 6252 adults living in 30 rural sub-districts in the Kyrgyz Republic, where social cohesion is a sizable policy concern, we conduct a multilevel analysis of the relationship between sub-district cohesion and individual personality...
November 28, 2018: International Journal of Psychology: Journal International de Psychologie
https://www.readbyqxmd.com/read/30485420/spontaneous-remission-of-residual-post-therapy-plasma-epstein-barr-virus-dna-and-its-prognostic-implication-in-nasopharyngeal-carcinoma-a-large-scale-big-data-intelligence-platform-based-analysis
#18
Yuan Zhang, Ling-Long Tang, Ying-Qin Li, Xu Liu, Qing Liu, Jun Ma
Detectable post-therapy plasma Epstein-Barr virus (EBV) DNA predicts poor survival in non-metastatic nasopharyngeal carcinoma (NPC). However, some patients subsequently experience spontaneous remission of residual EBV DNA during follow-up and it was unclear whether these patients were still at high risk of disease failure. Using the NPC database from an established big-data intelligence platform, 3269 NPC patients who had the plasma EBV DNA load measured at the end of therapy (+ 1 week) were identified. In total, 93...
November 28, 2018: International Journal of Cancer. Journal International du Cancer
https://www.readbyqxmd.com/read/30485260/building-a-local-community-of-practice-in-scientific-programming-for-life-scientists
#19
Sarah L R Stevens, Mateusz Kuzak, Carlos Martinez, Aurelia Moser, Petra Bleeker, Marc Galland
In this paper, we describe why and how to build a local community of practice in scientific programming for life scientists who use computers and programming in their research. A community of practice is a small group of scientists who meet regularly to help each other and promote good practices in scientific programming. While most life scientists are well trained in the laboratory to conduct experiments, good practices with (big) data sets and their analysis are often missing. We propose a model on how to build such a community of practice at a local academic institution, present two real-life examples, and introduce challenges and implemented solutions...
November 28, 2018: PLoS Biology
https://www.readbyqxmd.com/read/30485100/visualization-of-solar-cells-libraries-space-by-dimension-reduction-methods
#20
Omer Kaspi, Abraham Yosipof, Hanoch Senderowitz
Reliably projecting the high dimensional materials space into 2- or 3-dimensions allows for an intuitive grasp of the overall distribution of samples in this space. This in turn facilitates the identification of interesting trends including the formation of materials clusters and the presence of outliers as well as the rational navigation through this space in search for new materials. In this work we present the first application of four dimensionality reduction techniques to the visualization and analysis of part of the materials space populated by solar cells entirely made of metal oxides...
November 28, 2018: Journal of Chemical Information and Modeling
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