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https://www.readbyqxmd.com/read/29342241/ipat-intelligent-prediction-and-association-tool-for-genomic-research
#1
Chunpeng James Chen, Zhiwu Zhang
Summary: The ultimate goal of genomic research is to effectively predict phenotypes from genotypes so that medical management can improve human health and molecular breeding can increase agricultural production. Genomic prediction or selection (GS) plays a complementary role to genome-wide association studies (GWAS), which is the primary method to identify genes underlying phenotypes. Unfortunately, most computing tools cannot perform data analyses for both GWAS and GS. Furthermore, the majority of these tools are executed through a command-line interface (CLI), which requires programming skills...
January 11, 2018: Bioinformatics
https://www.readbyqxmd.com/read/29341912/quantitative-estimation-of-phenytoin-sodium-disproportionation-in-the-formulations-using-vibration-spectroscopies-and-multivariate-methodologies
#2
Sathish Dharani, Ziyaur Rahman, Sogra F Barakh Ali, Hamideh Afrooz, Mansoor A Khan
Phenytoin sodium (PS) has tendency to convert to its base form; phenytoin base (PHT) during manufacturing, packaging, shelf life and in-use conditions that can influence its clinical performance. The objective of the present work was to develop a non-destructive, quick and easy analytical method for quantification of PHT in the drug product. A formulation was prepared containing the excipients present in the commercial capsule formulation of PS. Formulation containing either 100% PHT or PS was prepared and these formulations were mixed in different proportion to achieve 0-100% PHT matrices...
January 13, 2018: International Journal of Pharmaceutics
https://www.readbyqxmd.com/read/29341705/electromagnetic-charge-radius-of-the-pion-at-high-precision
#3
B Ananthanarayan, Irinel Caprini, Diganta Das
We present a determination of the pion charge radius from high precision data on the pion vector form factor from both timelike and spacelike regions, using a novel formalism based on analyticity and unitarity. At low energies, instead of the poorly known modulus of the form factor, we use its phase, known with high accuracy from Roy equations for ππ elastic scattering via the Fermi-Watson theorem. We use also the values of the modulus at several higher timelike energies, where the data from e^{+}e^{-} annihilation and τ decay are mutually consistent, as well as the most recent measurements at spacelike momenta...
September 29, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/29340286/cancer-imaging-phenomics-toolkit-quantitative-imaging-analytics-for-precision-diagnostics-and-predictive-modeling-of-clinical-outcome
#4
Christos Davatzikos, Saima Rathore, Spyridon Bakas, Sarthak Pati, Mark Bergman, Ratheesh Kalarot, Patmaa Sridharan, Aimilia Gastounioti, Nariman Jahani, Eric Cohen, Hamed Akbari, Birkan Tunc, Jimit Doshi, Drew Parker, Michael Hsieh, Aristeidis Sotiras, Hongming Li, Yangming Ou, Robert K Doot, Michel Bilello, Yong Fan, Russell T Shinohara, Paul Yushkevich, Ragini Verma, Despina Kontos
The growth of multiparametric imaging protocols has paved the way for quantitative imaging phenotypes that predict treatment response and clinical outcome, reflect underlying cancer molecular characteristics and spatiotemporal heterogeneity, and can guide personalized treatment planning. This growth has underlined the need for efficient quantitative analytics to derive high-dimensional imaging signatures of diagnostic and predictive value in this emerging era of integrated precision diagnostics. This paper presents cancer imaging phenomics toolkit (CaPTk), a new and dynamically growing software platform for analysis of radiographic images of cancer, currently focusing on brain, breast, and lung cancer...
January 2018: Journal of Medical Imaging
https://www.readbyqxmd.com/read/29339510/artificial-intelligence-exploration-of-unstable-protocells-leads-to-predictable-properties-and-discovery-of-collective-behavior
#5
Laurie J Points, James Ward Taylor, Jonathan Grizou, Kevin Donkers, Leroy Cronin
Protocell models are used to investigate how cells might have first assembled on Earth. Some, like oil-in-water droplets, can be seemingly simple models, while able to exhibit complex and unpredictable behaviors. How such simple oil-in-water systems can come together to yield complex and life-like behaviors remains a key question. Herein, we illustrate how the combination of automated experimentation and image processing, physicochemical analysis, and machine learning allows significant advances to be made in understanding the driving forces behind oil-in-water droplet behaviors...
January 16, 2018: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/29338989/relations-between-self-reported-and-linguistic-monitoring-assessments-of-affective-experience-in-an-extreme-environment
#6
Nathan Smith
INTRODUCTION: Approaches for monitoring psychosocial health in challenging environments are needed to maintain the performance and safety of personnel. The purpose of the present research was to examine the relationship between 2 candidate methods (self-reported and linguistics) for monitoring affective experience during extreme environment activities. METHODS: A single-subject repeated-measures design was used in the present work. The participant was a 46-year-old individual scheduled to complete a self-supported ski expedition across Arctic Greenland...
January 12, 2018: Wilderness & Environmental Medicine
https://www.readbyqxmd.com/read/29338703/diagnostic-accuracy-and-prediction-increment-of-markers-of-epithelial-mesenchymal-transition-to-assess-cancer-cell-detachment-from-primary-tumors
#7
Evan L Busch, Prabhani Kuruppumullage Don, Haitao Chu, David B Richardson, Temitope O Keku, David A Eberhard, Christy L Avery, Robert S Sandler
BACKGROUND: Metastases play a role in about 90% of cancer deaths. Markers of epithelial-mesenchymal transition (EMT) measured in primary tumor cancer cells might provide diagnostic information about the likelihood that cancer cells have detached from the primary tumor. Used together with established diagnostic tests of detachment-lymph node evaluation and radiologic imaging-EMT marker measurements might improve the ability of clinicians to assess the patient's risk of metastatic disease...
January 16, 2018: BMC Cancer
https://www.readbyqxmd.com/read/29338271/analytical-anthropometric-and-dietary-factors-associated-with-the-development-of-fibrosis-in-patients-with-nonalcoholic-fatty-liver-disease
#8
Sara Gómez de la Cuesta, Rocío Aller de la Fuente, Carla Tafur Sánchez, Olatz Izaola, Concepción García Sánchez, Natalia Mora, Jose Manuel González Hernández, Daniel de Luis Román
BACKGROUND: A prolonged non-alcoholic steatohepatitis (NASH) condition can lead to advanced stages of liver disease and the development of hepatocellular carcinoma. AIM: To evaluate analytical, anthropometric and dietary factors associated with the presence of fibrosis as this is the factor that most influences survival and evolution. METHODS: Seventy-six patients with liver biopsy-diagnosed non-alcoholic fatty liver disease (NAFLD) were included...
January 17, 2018: Revista Española de Enfermedades Digestivas
https://www.readbyqxmd.com/read/29338194/sequential-and-selective-detection-of-two-molecules-with-a-single-solid-contact-chronopotentiometric-ion-selective-electrode
#9
Jiawang Ding, Nana Yu, Xuedong Wang, Wei Qin
A polymeric membrane ion-selective electrode (ISE) is typically designed for determination of one specific ion using conventional method. In this work, we demonstrate a simple, versatile and sensitive platform for simultaneous detection of two molecules with a single ISE. Under a series of periodic galvanostatic polarization, a solid-contact ISE without ion exchanger properties under zero-current conditions has been successfully used for simultaneous detection of two opposite charged ions with high sensitivity, good selectivity and fast reversibility...
January 17, 2018: Analytical Chemistry
https://www.readbyqxmd.com/read/29336935/update-on-the-laboratory-investigation-of-dyslipidemias
#10
REVIEW
I Ramasamy
The role of the clinical laboratory is evolving to provide more information to clinicians to assess cardiovascular disease (CVD) risk and target therapy more effectively. Current routine methods to measure LDL-cholesterol (LDL-C), the Friedewald calculation, ultracentrifugation, electrophoresis and homogeneous direct methods have established limitations. Studies suggest that LDL and HDL size or particle concentration are alternative methods to predict future CVD risk. At this time there is no consensus role for lipoprotein particle or subclasses in CVD risk assessment...
January 11, 2018: Clinica Chimica Acta; International Journal of Clinical Chemistry
https://www.readbyqxmd.com/read/29335642/controlled-dynamic-screening-of-excitonic-complexes-in-2d-semiconductors
#11
Andrey R Klots, Benjamin Weintrub, Dhiraj Prasai, Daniel Kidd, Kalman Varga, Kirill A Velizhanin, Kirill I Bolotin
We report a combined theoretical/experimental study of dynamic screening of excitons in media with frequency-dependent dielectric functions. We develop an analytical model showing that interparticle interactions in an exciton are screened in the range of frequencies from zero to the characteristic binding energy depending on the symmetries and transition energies of that exciton. The problem of the dynamic screening is then reduced to simply solving the Schrodinger equation with an effectively frequency-independent potential...
January 15, 2018: Scientific Reports
https://www.readbyqxmd.com/read/29333523/spin-orbit-torques-from-interfacial-spin-orbit-coupling-for-various-interfaces
#12
Kyoung-Whan Kim, Kyung-Jin Lee, Jairo Sinova, Hyun-Woo Lee, M D Stiles
We use a perturbative approach to study the effects of interfacial spin-orbit coupling in magnetic multilayers by treating the two-dimensional Rashba model in a fully three-dimensional description of electron transport near an interface. This formalism provides a compact analytic expression for current-induced spin-orbit torques in terms of unperturbed scattering coefficients, allowing computation of spin-orbit torques for various contexts, by simply substituting scattering coefficients into the formulas. It applies to calculations of spin-orbit torques for magnetic bilayers with bulk magnetism, those with interface magnetism, a normal metal/ferromagnetic insulator junction, and a topological insulator/ferromagnet junction...
September 2017: Physical Review. B
https://www.readbyqxmd.com/read/29332823/a-combination-of-computational-experimental-study-on-metal-organic-frameworks-mil-53-al-as-sorbent-for-simultaneous-determination-of-estrogens-and-glucocorticoids-in-water-and-urine-samples-by-dispersive-micro-solid-phase-extraction-coupled-to-uplc-ms-ms
#13
Guihua Gao, Sijia Li, Shuo Li, Yudan Wang, Pan Zhao, Xiangyu Zhang, Xiaohong Hou
In this work, computational and experimental methods were used to study the adsorption of estrogens and glucocorticoids on metal-organic frameworks (MOFs). Computer-aided molecular simulation was applied to predict the adsorption of eight analytes on four MOFs (MIL-101(Cr), MIL-100(Fe), MIL-53(Al), and UiO-66(Zr)) by examining molecular interactions and calculating free binding energies. Subsequently, the four water-stable MOFs were synthesized and evaluated as adsorbents for the target hormones in aqueous solution...
April 1, 2018: Talanta
https://www.readbyqxmd.com/read/29332800/acidity-of-substituted-cathinones-studied-by-capillary-electrophoresis-using-the-standard-and-fast-alternative-approaches
#14
Michał Woźniakiewicz, Paweł Mateusz Nowak, Małgorzata Gołąb, Piotr Adamowicz, Maria Kała, Paweł Kościelniak
Cathinone derivatives are notorious but still weakly characterized molecules, known mainly as components of the designer and illicit drugs. The knowledge on their acidity is scarce and incomplete, therefore, we decided to determine the pKa values for six of them: 2-methylmethcathinone, 3-methylmethcathinone, 4-methylmethcathinone, α-pyrrolidinovalerophenone, methylenedioxypyrovalerone and ephedrone. For that purpose we employed capillary electrophoresis, which is known for its accurateness in comparison to other analytical techniques...
April 1, 2018: Talanta
https://www.readbyqxmd.com/read/29331223/structure-based-design-and-application-of-a-nucleotide-coenzyme-mimetic-ligand-application-to-the-affinity-purification-of-nucleotide-dependent-enzymes
#15
Marigianna Marinou, Dimitrios Platis, Farid S Ataya, Evangelia Chronopoulou, Dimitrios Vlachakis, Nikolaos E Labrou
In the present study, a structure-based approach was exploited for the in silico design of a nucleotide coenzyme mimetic ligand. The enzyme formate dehydrogenase (FDH) was employed as a model in our study. The biomimetic ligand was designed and synthesized based on a tryptamine/3-aminopropylphosphonic acid bi-substituted 1,3,5-triazine (Trz) scaffold (Tra-Trz-3APP), which potentially mimics the interactions of NAD+-FDH complex. Molecular docking studies of the biomimetic ligand predicted that it can occupy the same binding site as the natural coenzyme...
January 3, 2018: Journal of Chromatography. A
https://www.readbyqxmd.com/read/29331117/accurate-virial-coefficients-of-gaseous-krypton-from-state-of-the-art-ab-initio-potential-and-polarizability-of-the-krypton-dimer
#16
Bo Song, Jonathan M Waldrop, Xiaopo Wang, Konrad Patkowski
We have developed a new krypton-krypton interaction-induced isotropic dipole polarizability curve based on high-level ab initio methods. The determination was carried out using the coupled-cluster singles and doubles plus perturbative triples method with very large basis sets up to augmented correlation-consistent sextuple zeta as well as the corrections for core-core and core-valence correlation and relativistic effects. The analytical function of polarizability and our recently constructed reference interatomic potential [J...
January 14, 2018: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29329713/baseline-and-pre-operative-1-year-mortality-risk-factors-in-a-cohort-of-509-hip-fracture-patients-consecutively-admitted-to-a-co-managed-orthogeriatric-unit-fonda-cohort
#17
Rocío Menéndez-Colino, Teresa Alarcon, Pilar Gotor, Rocío Queipo, Raquel Ramírez-Martín, Angel Otero, Juan I González-Montalvo
INTRODUCTION: The aim of this study was to determine the patient characteristics that predict 1-year mortality after a hip fracture (HF). METHODS: All patients admitted consecutively with fragility HF during 1 year in a co-managed orthogeriatric unit of a university hospital (FONDA cohort) were assesed. Baseline and admission demographic, clinical, functional, analytical and body-composition variables were collected in the first 72 h after admission. A protocol designed to minimize the consequences of the HF was applied...
January 6, 2018: Injury
https://www.readbyqxmd.com/read/29328810/shelf-life-of-food-products-from-open-labeling-to-real-time-measurements
#18
Maria G Corradini
The labels currently used on food and beverage products only provide consumers with a rough guide to their expected shelf lives because they assume that a product only experiences a limited range of predefined handling and storage conditions. These static labels do not take into consideration conditions that might shorten a product's shelf life (such as temperature abuse), which can lead to problems associated with food safety and waste. Advances in shelf-life estimation have the potential to improve the safety, reliability, and sustainability of the food supply...
January 12, 2018: Annual Review of Food Science and Technology
https://www.readbyqxmd.com/read/29328645/assessing-intermolecular-interactions-in-guest-free-clathrate-hydrate-systems
#19
Iván León-Merino, Raúl Rodríguez-Segundo, Daniel J Arismendi-Arrieta, Rita Prosmiti
Recently, empty hydrate structures sI, sII, sH and others have been proposed as low-density ice structures by both experimental observations and computer simulations. Some of them have been synthesized in the laboratory and motivates to reexamine the stability of such guest-free clathrate structures. Using empirical and ab initio-based water models, as well as dispersion-corrected density functional theory approaches, we predict their stability, including cooperative many-body effects, in comparison with reference data from converged wavefunction-based DF-MP2 electronic structure calculations...
January 12, 2018: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/29328249/broadband-near-infrared-antireflection-coatings-fabricated-by-three-dimensional-direct-laser-writing
#20
Y Li, D B Fullager, E Angelbello, D Childers, G Boreman, T Hofmann
Three-dimensional direct laser writing via two-photon polymerization is used to fabricate anti-reflective structured surfaces (ARSSs) composed of subwavelength conicoid features optimized to operate over a wide bandwidth in the near-infrared range from 3700  cm-1 to 6600  cm-1 (2.7-1.52 μm). Analytic Bruggemann effective medium calculations are used to predict nominal geometric parameters such as the fill factor of the constitutive conicoid features of the anti-reflective structured surfaces (ARSSs) presented here...
January 15, 2018: Optics Letters
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