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https://www.readbyqxmd.com/read/28735107/integrative-modelling-of-cellular-assemblies
#1
REVIEW
Agnel Praveen Joseph, Guido Polles, Frank Alber, Maya Topf
A wide variety of experimental techniques can be used for understanding the precise molecular mechanisms underlying the activities of cellular assemblies. The inherent limitations of a single experimental technique often requires integration of data from complementary approaches to gain sufficient insights into the assembly structure and function. Here, we review popular computational approaches for integrative modelling of cellular assemblies, including protein complexes and genomic assemblies. We provide recent examples of integrative models generated for such assemblies by different experimental techniques, especially including data from 3D electron microscopy (3D-EM) and chromosome conformation capture experiments, respectively...
July 20, 2017: Current Opinion in Structural Biology
https://www.readbyqxmd.com/read/28722399/bias-free-chemically-diverse-test-sets-from-machine-learning
#2
Ellen Swann, Michael Fernandez, Michelle L Coote, Amanda S Barnard
Current benchmarking methods in quantum chemistry rely on databases that are built using a chemist's intuition. It is not fully understood how diverse or representative these databases truly are. Multivariate statistical techniques like archetypal analysis and K-means clustering have previously been used to summarise large sets of nanoparticles however molecules are more diverse and not as easily characterised by descriptors. In this work we compare three sets of descriptors based on the one-, two- and three-dimensional structure of a molecule...
July 19, 2017: ACS Combinatorial Science
https://www.readbyqxmd.com/read/28708848/predicting-all-cause-risk-of-30-day-hospital-readmission-using-artificial-neural-networks
#3
Mehdi Jamei, Aleksandr Nisnevich, Everett Wetchler, Sylvia Sudat, Eric Liu
Avoidable hospital readmissions not only contribute to the high costs of healthcare in the US, but also have an impact on the quality of care for patients. Large scale adoption of Electronic Health Records (EHR) has created the opportunity to proactively identify patients with high risk of hospital readmission, and apply effective interventions to mitigate that risk. To that end, in the past, numerous machine-learning models have been employed to predict the risk of 30-day hospital readmission. However, the need for an accurate and real-time predictive model, suitable for hospital setting applications still exists...
2017: PloS One
https://www.readbyqxmd.com/read/28697045/patient-characteristics-menopause-symptoms-and-care-provided-at-an-interdisciplinary-menopause-clinic-retrospective-chart-review
#4
Beate C Sydora, Nese Yuksel, Nicole L Veltri, Justin Marillier, Christoph P Sydora, Maryna Yaskina, Lori Battochio, Tami M L Shandro, Sue Ross
OBJECTIVE: The goal of this study was to describe the characteristics, menopause symptoms, and treatment progressions in women cared for at an interdisciplinary menopause clinic. METHODS: We conducted a retrospective review of patient charts from women attending a multidisciplinary menopause clinic. Data collected from the charts included patient demographics, menopause symptoms, other concurrent medical conditions, and treatment recommendations. Data were entered into Research Electronic Data Capture database and analyzed descriptively...
July 10, 2017: Menopause: the Journal of the North American Menopause Society
https://www.readbyqxmd.com/read/28695551/cohort-profile-the-kilombero-and-ulanga-antiretroviral-cohort-kiularco-a-prospective-hiv-cohort-in-rural-tanzania
#5
Emilio Letang, Aneth Vedastus Kalinjuma, Tracy R Glass, Anna Gamell, Herry Mapesi, George Rocky Sikalengo, Lameck Bonaventure Luwanda, Dorcas Mnzava, Alex J Ntamatungiro, Regina Ndaki, Gideon Francis, Fiona Vanobberghen, Hansjakob Furrer, Thomas Klimkait, Ingrid Felger, Marcel Tanner, Christoph Hatz, Maja Weisser, Manuel Battegay, Kiularco Study Group
BACKGROUND: The Kilombero and Ulanga Antiretroviral Cohort (KIULARCO) is a single-site, open and ongoing prospective cohort of people living with human immunodeficiency virus (PLWHIV) established in 2005 at the Chronic Diseases Clinic of Ifakara (CDCI), within the Saint Francis Referral Hospital (SFRH) in Ifakara, Tanzania. The objectives of KIULARCO are to (i) provide patient and cohort-level information on the outcomes of HIV treatment; (ii) provide cohort-level information on opportunistic infections and comorbidities; (iii) evaluate aspects of human immunodeficiency virus (HIV) care and treatment that have national or international policy relevance; (iv) provide a platform for studies on improving HIV care and treatment in sub-Saharan Africa; and (v) contribute to generating local capacity to deal with the challenges posed by the HIV/AIDS pandemic in this region...
July 11, 2017: Swiss Medical Weekly
https://www.readbyqxmd.com/read/28693574/demographics-of-dogs-cats-and-rabbits-attending-veterinary-practices-in-great-britain-as-recorded-in-their-electronic-health-records
#6
Fernando Sánchez-Vizcaíno, Peter-John M Noble, Phil H Jones, Tarek Menacere, Iain Buchan, Suzanna Reynolds, Susan Dawson, Rosalind M Gaskell, Sally Everitt, Alan D Radford
BACKGROUND: Understanding the distribution and determinants of disease in animal populations must be underpinned by knowledge of animal demographics. For companion animals, these data have been difficult to collect because of the distributed nature of the companion animal veterinary industry. Here we describe key demographic features of a large veterinary-visiting pet population in Great Britain as recorded in electronic health records, and explore the association between a range of animal's characteristics and socioeconomic factors...
July 11, 2017: BMC Veterinary Research
https://www.readbyqxmd.com/read/28693362/veterinary-utility-of-dried-blood-spots-for-analysis-of-toxic-chlorinated-hydrocarbons
#7
Andreas F Lehner, Margaret Johnson, John Buchweitz
Dried blood spots (DBS) on filter paper provide a simple and convenient means of collecting, storing and shipping samples for veterinary diagnostics related to toxin exposures. This paper presents validation data on analysis of DBS for chlorinated persistent organic pollutants, specifically 4,4'-DDT and its breakdown product 4,4'-DDE, lindane and a representative polychlorinated biphenyl (PCB) congener PCB-153. Analysis was by gas chromatography with electron capture detection (GC-ECD). The method required one 12...
July 11, 2017: Toxicology Mechanisms and Methods
https://www.readbyqxmd.com/read/28690597/close-to-the-edge-growth-restrained-by-the-nad-p-h-atp-formation-flux-ratio
#8
Ed W J van Niel, Basti Bergdahl, Bärbel Hahn-Hägerdal
Most fermentative microorganisms grow well-under anaerobic conditions managing a balanced redox and appropriate energy metabolism, but a few species do exist in which cells have to cope with inadequate energy recovery or capture and/or redox balancing. Two cases of these species, i.e., the metabolically engineered Saccharomyces cerevisiae enabling it to ferment xylose and Lactobacillus reuteri fermenting glucose via the phosphoketolase pathway, are here used to introduce a quantification parameter to capture what limits the growth rate of these microorganisms under anaerobic conditions...
2017: Frontiers in Microbiology
https://www.readbyqxmd.com/read/28687773/topological-delocalization-and-tuning-of-surface-channel-separation-in-bi2se2te-topological-insulator-thin-films
#9
Radha Krishna Gopal, Sourabh Singh, Arpita Mandal, Jit Sarkar, Chiranjib Mitra
The surface states of a 3D topological insulator (TI) exhibit topological protection against backscattering. However, the contribution of bulk electrons to the transport data is an impediment to the topological protection of surface states. We report the tuning of the chemical potential in the bulk in Bi2Se2Te TI thin films, pinning it near the center of the bulk band gap, thereby suppressing the bulk carriers. The temperature dependent resistance of these films show activated behavior down to 50 K, followed by a metallic transition at lower temperatures, a hallmark of robustness of TI surface states...
July 7, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28686467/diagnosis-prediction-from-electronic-health-records-using-the-binary-diagnosis-history-vector-representation
#10
Ieva Vasiljeva, Ognjen Arandjelović
Large amounts of rich, heterogeneous information nowadays routinely collected by healthcare providers across the world possess remarkable potential for the extraction of novel medical data and the assessment of different practices in real-world conditions. Specifically in this work, our goal is to use electronic health records (EHRs) to predict progression patterns of future diagnoses of ailments for a particular patient, given the patient's present diagnostic history. Following the highly promising results of a recently proposed approach that introduced the diagnosis history vector representation of a patient's diagnostic record, we introduce a series of improvements to the model and conduct thorough experiments that demonstrate its scalability, accuracy, and practicability in the clinical context...
July 7, 2017: Journal of Computational Biology: a Journal of Computational Molecular Cell Biology
https://www.readbyqxmd.com/read/28682331/three-dimensional-integration-of-nanotechnologies-for-computing-and-data-storage-on-a-single-chip
#11
Max M Shulaker, Gage Hills, Rebecca S Park, Roger T Howe, Krishna Saraswat, H-S Philip Wong, Subhasish Mitra
The computing demands of future data-intensive applications will greatly exceed the capabilities of current electronics, and are unlikely to be met by isolated improvements in transistors, data storage technologies or integrated circuit architectures alone. Instead, transformative nanosystems, which use new nanotechnologies to simultaneously realize improved devices and new integrated circuit architectures, are required. Here we present a prototype of such a transformative nanosystem. It consists of more than one million resistive random-access memory cells and more than two million carbon-nanotube field-effect transistors-promising new nanotechnologies for use in energy-efficient digital logic circuits and for dense data storage-fabricated on vertically stacked layers in a single chip...
July 5, 2017: Nature
https://www.readbyqxmd.com/read/28682222/the-clinical-effectiveness-and-cost-effectiveness-of-cetuximab-review-of-technology-appraisal-no-176-and-panitumumab-partial-review-of-technology-appraisal-no-240-for-previously-untreated-metastatic-colorectal-cancer-a-systematic-review-and-economic-evaluation
#12
Nicola Huxley, Louise Crathorne, Jo Varley-Campbell, Irina Tikhonova, Tristan Snowsill, Simon Briscoe, Jaime Peters, Mary Bond, Mark Napier, Martin Hoyle
BACKGROUND: Colorectal cancer is the fourth most commonly diagnosed cancer in the UK after breast, lung and prostate cancer. People with metastatic disease who are sufficiently fit are usually treated with active chemotherapy as first- or second-line therapy. Targeted agents are available, including the antiepidermal growth factor receptor (EGFR) agents cetuximab (Erbitux(®), Merck Serono UK Ltd, Feltham, UK) and panitumumab (Vecitibix(®), Amgen UK Ltd, Cambridge, UK). OBJECTIVE: To investigate the clinical effectiveness and cost-effectiveness of panitumumab in combination with chemotherapy and cetuximab in combination with chemotherapy for rat sarcoma (RAS) wild-type (WT) patients for the first-line treatment of metastatic colorectal cancer...
June 2017: Health Technology Assessment: HTA
https://www.readbyqxmd.com/read/28675192/tablet-computers-in-assessing-performance-in-a-high-stakes-exam-opinion-matters
#13
G P Currie, S Sinha, F Thomson, J Cleland, A R Denison
Background Tablet computers have emerged as a tool to capture, process and store data in examinations, yet evidence relating to their acceptability and usefulness in assessment is limited. Methods We performed an observational study to explore opinions and attitudes relating to tablet computer use in recording performance in a final year objective structured clinical examination at a single UK medical school. Examiners completed a short questionnaire encompassing background, forced-choice and open questions...
June 2017: Journal of the Royal College of Physicians of Edinburgh
https://www.readbyqxmd.com/read/28670666/epidemiologic-comparisons-of-soccer-related-injuries-presenting-to-emergency-departments-and-reported-within-high-school-and-collegiate-settings
#14
Zachary Y Kerr, Lauren A Pierpoint, Dustin W Currie, Erin B Wasserman, R Dawn Comstock
BACKGROUND: Few studies compare sports injury patterns in different settings. This study described the epidemiology of soccer injuries presenting to emergency departments (EDs) and compared injuries presenting to EDs to injuries presenting to collegiate and high school athletic trainers (ATs). METHODS: Soccer-related injuries (product code 1267) in the National Electronic Injury Surveillance System (NEISS) that were sustained by individuals at least two years of age in 2004-2013 were included...
December 2017: Injury Epidemiology
https://www.readbyqxmd.com/read/28666085/effect-of-solid-state-polarization-on-charge-transfer-excitations-and-transport-levels-at-organic-interfaces-from-a-screened-range-separated-hybrid-functional
#15
Zilong Zheng, David A Egger, Jean-Luc Brédas, Leeor Kronik, Veaceslav Coropceanu
We develop a robust approach for the description of the energetics of charge-transfer (CT) excitations and transport levels at organic interfaces based on a screened range-separated hybrid (SRSH) functional. We find that SRSH functionals correctly capture the effect of solid-state electronic polarization on transport gap renormalization and on screening of the electrostatic electron-hole interaction. With respect to calculations based on nonscreened optimally tuned RSH (long-range corrected) functionals, the SRSH-based calculations can be performed for both isolated molecular complexes and systems embedded in a dielectric medium with the same range-separation parameter, which allows a clear physical interpretation of the results in terms of solid-state polarization without any perturbation of the molecular electronic structure...
July 6, 2017: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/28664889/alternative-difference-analysis-scheme-combining-r-space-exafs-fit-with-global-optimization-xanes-fit-for-x-ray-transient-absorption-spectroscopy
#16
Fei Zhan, Ye Tao, Haifeng Zhao
Time-resolved X-ray absorption spectroscopy (TR-XAS), based on the laser-pump/X-ray-probe method, is powerful in capturing the change of the geometrical and electronic structure of the absorbing atom upon excitation. TR-XAS data analysis is generally performed on the laser-on minus laser-off difference spectrum. Here, a new analysis scheme is presented for the TR-XAS difference fitting in both the extended X-ray absorption fine-structure (EXAFS) and the X-ray absorption near-edge structure (XANES) regions. R-space EXAFS difference fitting could quickly provide the main quantitative structure change of the first shell...
July 1, 2017: Journal of Synchrotron Radiation
https://www.readbyqxmd.com/read/28661227/a-preliminary-study-of-patient-specific-mechanical-properties-of-diabetic-and-healthy-plantar-soft-tissue-from-gated-magnetic-resonance-imaging
#17
Evan D Williams, Michael J Stebbins, Peter R Cavanagh, David R Haynor, Baocheng Chu, Michael J Fassbind, Vara Isvilanonda, William R Ledoux
Foot loading rate, load magnitude, and the presence of diseases such as diabetes can all affect the mechanical properties of the plantar soft tissues of the human foot. The hydraulic plantar soft tissue reducer instrument was designed to gain insight into which variables are the most significant in determining these properties. It was used with gated magnetic resonance imaging to capture three-dimensional images of feet under dynamic loading conditions. Custom electronics controlled by LabVIEW software simultaneously recorded system pressure, which was then translated to applied force values based on calibration curves...
July 2017: Proceedings of the Institution of Mechanical Engineers. Part H, Journal of Engineering in Medicine
https://www.readbyqxmd.com/read/28660819/selective-non-operative-management-of-abdominal-stab-wounds-is-a-safe-and-cost-effective-strategy-a-south-african-experience
#18
Kss Dayananda, V Y Kong, J L Bruce, G V Oosthuizen, G L Laing, D L Clarke
INTRODUCTION Selective non-operative management (SNOM) of abdominal stab wounds is well established in South Africa. SNOM reduces the morbidity associated with negative laparotomies while being safe. Despite steady advances in technology (including laparoscopy, computed tomography [CT] and point-of-care sonography), our approach has remained clinically driven. Assessments of financial implications are limited in the literature. The aim of this study was to review isolated penetrating abdominal trauma and analyse associated incurred expenses...
July 2017: Annals of the Royal College of Surgeons of England
https://www.readbyqxmd.com/read/28657959/monitoring-anesthesia-care-delivery-and-perioperative-mortality-in-kenya-utilizing-a-provider-driven-novel-data-collection-tool
#19
Bantayehu Sileshi, Mark W Newton, Joash Kiptanui, Matthew S Shotwell, Jonathan P Wanderer, Mary Mungai, Jon Scherdin, Paul A Harris, Sten H Vermund, Warren S Sandberg, Matthew D McEvoy
BACKGROUND: Perioperative mortality rate is regarded as a credible quality and safety indicator of perioperative care, but its documentation in low- and middle-income countries is poor. We developed and tested an electronic, provider report-driven method in an East African country. METHODS: We deployed a data collection tool in a Kenyan tertiary referral hospital that collects case-specific perioperative data, with asynchronous automatic transmission to central servers...
August 2017: Anesthesiology
https://www.readbyqxmd.com/read/28650636/orthogonal-electric-field-measurements-near-the-green-fluorescent-protein-fluorophore-through-stark-effect-spectroscopy-and-pka-shifts-provide-a-unique-benchmark-for-electrostatics-models
#20
Joshua D Slocum, Jeremy T First, Lauren J Webb
Measurement of the magnitude, direction, and functional importance of electric fields in biomolecules has been a long-standing experimental challenge. pKa shifts of titratable residues have been the most widely implemented measurements of the local electrostatic environment around the labile proton, and experimental data sets of pKa shifts in a variety of systems have been used to test and refine computational prediction capabilities of protein electrostatic fields. A more direct and increasingly popular technique to measure electric fields in proteins is Stark effect spectroscopy, where the change in absorption energy of a chromophore relative to a reference state is related to the change in electric field felt by the chromophore...
July 11, 2017: Journal of Physical Chemistry. B
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