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# predictive analytics

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#1
Sebastiano Bernini, Francesco Puosi, Dino Leporini
We investigate by Molecular Dynamics simulations of a molecular liquid the thermodynamic scaling (TS) of the structural relaxation time $\tau_\alpha$ in terms of the quantity $T\rho^{-\gamma_{ts}}$ where T and rho are the temperature and the density, respectively. The liquid does not exhibit strong virial-energy correlations. We propose how to evaluate both the characteristic exponent $\gamma_{ts}$ and the TS master curve by resorting to experimentally accessible quantities characterising the anharmonic elasticity and no details about the microscopic interactions...
January 19, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
#2
Jing Yang, Mostafa Youssef, Bilge Yildiz
We present a multi-scale approach to predict equilibrium defect concentrations across oxide/oxide hetero-interfaces. There are three factors that need to be taken into account simultaneously for computing defect redistribution around the hetero-interfaces: the variation of local bonding environment at the interface as epitomized in defect segregation energies, the band offset at the interface, and the equilibration of the chemical potentials of species and electrons via ionic and electronic drift-diffusion fluxes...
January 19, 2017: Physical Chemistry Chemical Physics: PCCP
#3
Sara Monteiro, Francisca Dias de Castro, Pedro Boal Carvalho, Bruno Rosa, Maria João Moreira, Rolando Pinho, Miguel Mascarenhas Saraiva, José Cotter
AIM: To evaluate the role of small bowel capsule endoscopy (SBCE) on the reclassification of colonic inflammatory bowel disease type unclassified (IBDU). METHODS: We performed a multicenter, retrospective study including patients with IBDU undergoing SBCE, between 2002 and 2014. SBCE studies were reviewed and the inflammatory activity was evaluated by determining the Lewis score (LS). Inflammatory activity was considered significant and consistent with Crohn's disease (CD) when the LS ≥ 135...
January 16, 2017: World Journal of Gastrointestinal Endoscopy
#4
Aidan T Brown, Wilson C K Poon, Christian Holm, Joost de Graaf
Polar solvents like water support the bulk dissociation of themselves and their solutes into ions, and the re-association of these ions into neutral molecules in a dynamic equilibrium, e.g., H2O2 ⇌ H(+) + HO2(-). Using continuum theory, we study the influence of these association-dissociation reactions on the self-propulsion of colloids driven by surface chemical reactions (chemical swimmers). We find that association-dissociation reactions should have a strong influence on swimmers' behaviour, and therefore should be included in future modelling...
January 18, 2017: Soft Matter
#5
Ralf Everaers, Alexander Y Grosberg, Michael Rubinstein, Angelo Rosa
Randomly branched polymer chains (or trees) are a classical subject of polymer physics with connections to the theory of magnetic systems, percolation and critical phenomena. More recently, the model has been reconsidered for RNA, supercoiled DNA and the crumpling of topologically-constrained polymers. While solvable in the ideal case, little is known exactly about randomly branched polymers with volume interactions. Flory theory provides a simple, unifying description for a wide range of branched systems, including isolated trees in good and θ-solvent, and tree melts...
January 18, 2017: Soft Matter
#6
Michael B Hicks, Leah Salituro, Ian Mangion, Wes Schafer, Rong Xiang, Xiaoyi Gong, Christopher J Welch
The use of a coulometric array detector in tandem with HPLC-UV was evaluated for the absolute quantitation of pharmaceutical compounds without standards, an important capability gap in contemporary pharmaceutical research and development. The high-efficiency LC flow-through electrochemical detector system allows for the rapid evaluation of up to 16 different potentials, aiding in the identification and quantitation of electrochemically reactive species. By quantifying the number of electrons added or removed from an analyte during its passage through the detector, the number of moles of the analyte can be established...
January 18, 2017: Analyst
#7
Sten Madec, Jérôme Casas, Guy Barles, Christelle Suppo
Analytical modeling of predator-prey systems has shown that specialist natural enemies can slow, stop and even reverse pest invasions, assuming that the prey population displays a strong Allee effect in its growth. We aimed to formalize the conditions in which spatial biological control can be achieved by generalists, through an analytical approach based on reaction-diffusion equations. Using comparison principles, we obtain sufficient conditions for control and for invasion, based on scalar bistable partial differential equations...
January 17, 2017: Journal of Mathematical Biology
#8
Amelia A Romoser, Robert R Scully, Thomas F Limero, Vanessa De Vera, Patti F Cheng, Jennifer J Hand, John T James, Valerie E Ryder
INTRODUCTION: NASA regularly performs ground-based offgas tests (OGTs), which allow prediction of accumulated volatile pollutant concentrations at first entry on orbit, on whole modules and vehicles scheduled to connect to the International Space Station (ISS). These data guide crew safety operations and allow for estimation of ISS air revitalization systems impact from additional pollutant load. Since volatiles released from vehicle, module, and payload materials can affect crew health and performance, prediction of first ingress air quality is important...
February 1, 2017: Aerospace Medicine and Human Performance
#9
Maurits K Konings, Roland A Snijder, Joris H Radermacher, Annemoon M Timmerman
BACKGROUND: In this paper, a new method is presented that combines mechanical compliance effects with Poiseuille flow and push-out effects ("dead volume") in one single mathematical framework for calculating dosing errors in multi-infusion set-ups. In contrast to existing numerical methods, our method produces explicit expressions that illustrate the mathematical dependencies of the dosing errors on hardware parameters and pump flow rate settings. METHODS: Our new approach uses the Z-transform to model the contents of the catheter, and after implementation in Mathematica (Wolfram), explicit expressions are produced automatically...
January 17, 2017: Biomedical Engineering Online
#10
Ted C T Fong, Rainbow T H Ho, Adrian H Y Wan, Friendly S W Au-Yeung
Neurological soft signs (NSS) in motor coordination and sequencing occur in schizophrenia patients and are an intrinsic sign of the underlying neural dysfunctions. The present longitudinal study explored the relationships among NSS, psychiatric symptoms, and functional outcomes in 151 Chinese patients with chronic schizophrenia across a 6-month period. The participants completed neurological assessments at baseline (Time 1), psychiatric interviews at Time 1 and 3-month follow-up (Time 2), and self-report measures on daily functioning at 6-month follow-up (Time 3)...
January 9, 2017: Psychiatry Research
#11
Aurelien Crut, Paolo Maioli, Fabrice Vallee, Natalia Del Fatti
Single-particle optical investigations have greatly improved our understanding of the fundamental properties of nano-objects, avoiding the spurious inhomogeneous effects that affect ensemble experiments. Correlation with high-resolution imaging techniques providing morphological information (e.g., electron microscopy) allows a quantitative interpretation of the optical measurements by means of analytical models and numerical simulations. In this topical review, we first briefly recall the principles underlying some of the most commonly used single-particle optical techniques: near-field, dark-field, spatial modulation and photothermal microscopies/spectroscopies...
January 17, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
#12
Lorenzo Livi, Filippo Maria Bianchi, Cesare Alippi
It is a widely accepted fact that the computational capability of recurrent neural networks (RNNs) is maximized on the so-called "edge of criticality." Once the network operates in this configuration, it performs efficiently on a specific application both in terms of: 1) low prediction error and 2) high short-term memory capacity. Since the behavior of recurrent networks is strongly influenced by the particular input signal driving the dynamics, a universal, application-independent method for determining the edge of criticality is still missing...
January 16, 2017: IEEE Transactions on Neural Networks and Learning Systems
#13
Beatriz González-Jiménez, Efrén Delgado-Mendoza, Rafael Rojano-González, Florencia Valdez-Izaguirre, Pedro Gutiérrez-Aguilar, Félix Guillermo Márquez-Celedonio, Mario González-Santes
BACKGROUND: Neonatal Hearing Screening and Early Intervention (NHSEI) is a screening program to evaluate all infants and identify those with hearing impairment. The objective of this work was to determine the factors associated with hearing loss in NHSEI program. METHODS: Analytical cross-sectional study was performed. 234 infants were included in the NHSEI program, hearing was evaluated with transitory evoked otoacoustic emissions (TEOE) at frequencies of 1.5 to 4...
January 2017: Revista Médica del Instituto Mexicano del Seguro Social
#14
Takeshi Emura, Masahiro Nakatochi, Shigeyuki Matsui, Hirofumi Michimae, Virginie Rondeau
Developing a personalized risk prediction model of death is fundamental for improving patient care and touches on the realm of personalized medicine. The increasing availability of genomic information and large-scale meta-analytic data sets for clinicians has motivated the extension of traditional survival prediction based on the Cox proportional hazards model. The aim of our paper is to develop a personalized risk prediction formula for death according to genetic factors and dynamic tumour progression status based on meta-analytic data...
January 1, 2017: Statistical Methods in Medical Research
#15
Richard J Murdock, Shawn A Putnam, Soumen Das, Ankur Gupta, Elyse D Z Chase, Sudipta Seal
A clinically relevant magneto-optical technique (fd-FRS, frequency-domain Faraday rotation spectroscopy) for characterizing proteins using antibody-functionalized magnetic nanoparticles (MNPs) is demonstrated. This technique distinguishes between the Faraday rotation of the solvent, iron oxide core, and functionalization layers of polyethylene glycol polymers (spacer) and model antibody-antigen complexes (anti-BSA/BSA, bovine serum albumin). A detection sensitivity of ≈10 pg mL(-1) and broad detection range of 10 pg mL(-1) ≲ cBSA ≲ 100 µg mL(-1) are observed...
January 16, 2017: Small
#16
Wen Lin, Tao Ji, Heidi Einolf, Surya Ayalasomayajula, Tsu-Han Lin, Imad Hanna, Tycho Heimbach, Christopher Breen, Venkateswar Jarugula, Handan He
Sacubitril/valsartan (LCZ696) has been approved for the treatment of heart failure. Sacubitril is an in vitro inhibitor of OATPs. In clinical studies, LCZ696 increased atorvastatin Cmax by 1.7-fold and AUC by 1.3-fold, but had little or no effect on simvastatin or simvastatin acid exposure. A PBPK modelling approach was applied to explore the underlying mechanisms behind the statin-specific LCZ696 drug interaction observations. The model incorporated OATP-mediated clearance (CLint,T) for simvastatin and simvastatin acid to successfully describe the PK profiles of either analyte in the absence or presence of LCZ696...
January 12, 2017: Journal of Pharmaceutical Sciences
#17
Michael Chrysos
We focus on the long-pending issue of the inadequacy of the Dirac bubble potential model in the description of He-He interactions in the continuum [L. L. Lohr and S. M. Blinder, Int. J. Quantum Chem. 53, 413 (1995)]. We attribute this failure to the lack of a potential wall to mimic the onset of the repulsive interaction at close range separations. This observation offers the explanation to why this excessively simple model proves incapable of quantitatively reproducing previous experimental findings of glory scattering in He-He, although being notorious for its capability of reproducing several distinctive features of the atomic and isotopic helium dimers and trimers [L...
January 14, 2017: Journal of Chemical Physics
#18
Christian R Macedonia, Clark T Johnson, Indika Rajapakse
Technical advances in science have had broad implications in reproductive and women's health care. Recent innovations in population-level data collection and storage have made available an unprecedented amount of data for analysis while computational technology has evolved to permit processing of data previously thought too dense to study. "Big data" is a term used to describe data that are a combination of dramatically greater volume, complexity, and scale. The number of variables in typical big data research can readily be in the thousands, challenging the limits of traditional research methodologies...
January 9, 2017: Obstetrics and Gynecology
#19
Kimberly A Powers, Erika Samoff, Mark A Weaver, Lynne A Sampson, William C Miller, Peter A Leone, Heidi Swygard
BACKGROUND: Long-term HIV care and treatment engagement is required for maximal clinical and prevention benefits, but longitudinal care patterns are poorly understood. We used the last 10 years' worth of HIV surveillance data from North Carolina to describe longitudinal HIV care trajectories from diagnosis. METHODS: We conducted a retrospective, population-based cohort study of all persons newly diagnosed with HIV in North Carolina between March 31, 2006 and March 31, 2015 (N = 16,207)...
February 1, 2017: Journal of Acquired Immune Deficiency Syndromes: JAIDS
#20
Kindra Larson, Lauren Scott, Tina D Cunningham, Yili Zhao, Alfred Abuhamad, Peter Takacs
OBJECTIVES: The aim of this study was to evaluate dynamic two-dimensional (2D) and 3D transperineal pelvic ultrasound findings with urodynamic studies in women with lower urinary tract symptoms after midurethral sling placement. METHODS: On 2D images, the sling position, and on 3D imaging the sling angle, urethral diameter, urethral height, and urethral cross sectional area were recorded with and without Valsalva. Patients were categorized into 3 groups based on 2D imaging: group 1-at rest, the sling lies parallel to the urethral lumen, and during Valsalva, the sling becomes C shaped; group 2-both at rest and during Valsalva, the sling runs parallel to the urethral lumen; group 3-at rest, the sling is C shaped, and during Valsalva, this curved shape is maintained...
January 10, 2017: Female Pelvic Medicine & Reconstructive Surgery
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