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https://www.readbyqxmd.com/read/28551119/advanced-predictive-methods-for-wine-age-prediction-part-ii-a-comparison-study-of-multiblock-regression-approaches
#1
Maria P Campos, Ricardo Sousa, Ana C Pereira, Marco S Reis
In this article, we extend the scope of the first paper of the sequel, which was dedicated to the analysis of advanced single-block regression methods (Rendall et al., 2016) [1], to the class of multiblock regression approaches. The datasets contemplated for developing the multiblock approaches are the same as in the former publication: volatile, polyphenols, organic acids composition and the UV-Vis spectra. The context is still the prediction of the ageing time of one of finest Portuguese fortified wines, the Madeira Wine, but now the data collected from the different analytical sources is explored simultaneously, in a more structured and informative way, through multiblock methodologies...
August 15, 2017: Talanta
https://www.readbyqxmd.com/read/28550375/exploring-inductive-linearization-for-pharmacokinetic-pharmacodynamic-systems-of-nonlinear-ordinary-differential-equations
#2
Chihiro Hasegawa, Stephen B Duffull
Pharmacokinetic-pharmacodynamic systems are often expressed with nonlinear ordinary differential equations (ODEs). While there are numerous methods to solve such ODEs these methods generally rely on time-stepping solutions (e.g. Runge-Kutta) which need to be matched to the characteristics of the problem at hand. The primary aim of this study was to explore the performance of an inductive approximation which iteratively converts nonlinear ODEs to linear time-varying systems which can then be solved algebraically or numerically...
May 26, 2017: Journal of Pharmacokinetics and Pharmacodynamics
https://www.readbyqxmd.com/read/28549905/on-the-use-of-group-sequential-study-designs-for-the-test-of-bioequivalence-for-complicated-products
#3
Rajesh Krishna, Wen-Lin Luo, Patrick J Larson, Paul H Fackler
A novel modeling approach together with a use of group sequential study design for a complicated triple fixed-dose combination was attempted. Probability of success (POS) was used for determining a weighted average power, where weight was based on available information such as data from previous pilot studies or literature. A simulation study was conducted that resulted in the development of the necessary sample size for the studies in addition to identifying a decision algorithm that was prospectively defined in the protocols...
May 23, 2017: Journal of Pharmaceutical Sciences
https://www.readbyqxmd.com/read/28549039/paired-comparison-of-pd-l1-expression-on-cytologic-and-histologic-specimens-from-malignancies-in-the-lung-assessed-with-pd-l1-ihc-28-8pharmdx-and-pd-l1-ihc-22c3pharmdx
#4
Birgit G Skov, Torsten Skov
BACKGROUND: Programmed cell death ligand-1 (PD-L1) expression is a predictive biomarker for anti-PD-1 immunotherapy in non-small cell lung cancer. Different immunohistochemistry (IHC) assays have been developed on histologic material with different cutoffs for positivity. More than one third of the patients are diagnosed on cytology alone. We hypothesized that cytologic cell block material is suitable for PD-L1 analysis. MATERIALS AND METHODS: Eighty-six paired samples of malignancies from the lung where cytologic cell block and histologic material were available from the same lesion were stained with PD-L1 IHC 28-8pharmDx and PD-L1 IHC 22C3pharmDx...
May 25, 2017: Applied Immunohistochemistry & Molecular Morphology: AIMM
https://www.readbyqxmd.com/read/28548528/typical-relaxation-of-isolated-many-body-systems-which-do-not-thermalize
#5
Ben N Balz, Peter Reimann
We consider isolated many-body quantum systems which do not thermalize; i.e., expectation values approach an (approximately) steady longtime limit which disagrees with the microcanonical prediction of equilibrium statistical mechanics. A general analytical theory is worked out for the typical temporal relaxation behavior in such cases. The main prerequisites are initial conditions which appreciably populate many energy levels and do not give rise to significant spatial inhomogeneities on macroscopic scales...
May 12, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28547995/adsorption-induced-deformation-of-hierarchically-structured-mesoporous-silica-effect-of-pore-level-anisotropy
#6
Christian Balzer, Anna M Waag, Stefan Gehret, Gudrun Reichenauer, Florian Putz, Nicola Hüsing, Oskar Paris, Noam Bernstein, Gennady Y Gor, Alexander V Neimark
The goal of this work is to understand adsorption-induced deformation of hierarchically structured porous silica exhibiting well-defined cylindrical mesopores. For this purpose, we performed an in situ dilatometry measurement on a calcined and sintered monolithic silica sample during the adsorption of N2 at 77 K. To analyze the experimental data, we extended the adsorption stress model to account for the anisotropy of cylindrical mesopores, i.e., we explicitly derived the adsorption stress tensor components in the axial and radial direction of the pore...
May 26, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28547821/effects-of-sleep-on-substance-use-in-adolescents-a-longitudinal-perspective
#7
Tam T Nguyen-Louie, Ty Brumback, Matthew J Worley, Ian M Colrain, Georg E Matt, Lindsay M Squeglia, Susan F Tapert
Substance use (SU) and sleep problems appear interrelated, but few studies have examined the influence of adolescent sleep patterns on development of SU disorders. This study prospectively examined the influence of sleep habits on subsequent SU in youth who later transitioned into heavy drinking. At time 1 (T1), participants (n = 95) were substance-naive 12- to 14-year-olds. Path-analytic models examined whether the effects of T1 risk factors (familial SU disorder, inhibition control, and externalizing and internalizing traits) on time 3 (M = 19...
May 26, 2017: Addiction Biology
https://www.readbyqxmd.com/read/28545597/prefrontal-cortical-thinning-links-to-negative-symptoms-in-schizophrenia-via-the-enigma-consortium
#8
E Walton, D P Hibar, T G M van Erp, S G Potkin, R Roiz-Santiañez, B Crespo-Facorro, P Suarez-Pinilla, N E M van Haren, S M C de Zwarte, R S Kahn, W Cahn, N T Doan, K N Jørgensen, T P Gurholt, I Agartz, O A Andreassen, L T Westlye, I Melle, A O Berg, L Morch-Johnsen, A Færden, L Flyckt, H Fatouros-Bergman, E G Jönsson, R Hashimoto, H Yamamori, M Fukunaga, N Jahanshad, P De Rossi, F Piras, N Banaj, G Spalletta, R E Gur, R C Gur, D H Wolf, T D Satterthwaite, L M Beard, I E Sommer, S Koops, O Gruber, A Richter, B Krämer, S Kelly, G Donohoe, C McDonald, D M Cannon, A Corvin, M Gill, A Di Giorgio, A Bertolino, S Lawrie, T Nickson, H C Whalley, E Neilson, V D Calhoun, P M Thompson, J A Turner, S Ehrlich
BACKGROUND: Our understanding of the complex relationship between schizophrenia symptomatology and etiological factors can be improved by studying brain-based correlates of schizophrenia. Research showed that impairments in value processing and executive functioning, which have been associated with prefrontal brain areas [particularly the medial orbitofrontal cortex (MOFC)], are linked to negative symptoms. Here we tested the hypothesis that MOFC thickness is associated with negative symptom severity...
May 26, 2017: Psychological Medicine
https://www.readbyqxmd.com/read/28544622/an-investigation-into-the-two-stage-meta-analytic-copula-modelling-approach-for-evaluating-time-to-event-surrogate-endpoints-which-comprise-of-one-or-more-events-of-interest
#9
Natalie Dimier, Susan Todd
Clinical trials of experimental treatments must be designed with primary endpoints that directly measure clinical benefit for patients. In many disease areas, the recognised gold standard primary endpoint can take many years to mature, leading to challenges in the conduct and quality of clinical studies. There is increasing interest in using shorter-term surrogate endpoints as substitutes for costly long-term clinical trial endpoints; such surrogates need to be selected according to biological plausibility, as well as the ability to reliably predict the unobserved treatment effect on the long-term endpoint...
May 19, 2017: Pharmaceutical Statistics
https://www.readbyqxmd.com/read/28544059/objective-assessment-of-the-evolutionary-action-equation-for-the-fitness-effect-of-missense-mutations-across-cagi-blinded-contests
#10
Panagiotis Katsonis, Olivier Lichtarge
A major challenge in genome interpretation is to estimate the fitness effect of coding variants of unknown significance (VUS). Labor, limited understanding of protein functions, and lack of assays generally limit direct experimental assessment of VUS, and make robust and accurate computational approaches a necessity. Often, however, algorithms that predict mutational effect disagree amongst themselves and with experimental data, slowing their adoption for clinical diagnostics. To objectively assess such methods, the Critical Assessment of Genome Interpretation (CAGI) community organizes contests to predict unpublished experimental data, available only to CAGI assessors...
May 23, 2017: Human Mutation
https://www.readbyqxmd.com/read/28543881/a-review-of-blood-sample-handling-and-pre-processing-for-metabolomics-studies
#11
REVIEW
Vinicius Veri Hernandes, Coral Barbas, Danuta Dudzik
Metabolomics has been found to be applicable to a wide range of clinical studies, bringing a new era for improving clinical diagnostics, early disease detection, therapy prediction and treatment efficiency monitoring. A major challenge in metabolomics, particularly untargeted studies, is the extremely diverse and complex nature of biological specimens. Despite great advances in the field there still exist fundamental needs for considering pre-analytical variability that can introduce bias to the subsequent analytical process and decrease the reliability of the results and moreover confound final research outcomes...
May 19, 2017: Electrophoresis
https://www.readbyqxmd.com/read/28540958/membrane-structure-formation-induced-by-two-types-of-banana-shaped-proteins
#12
Hiroshi Noguchi, Jean-Baptiste Fournier
The assembly of banana-shaped rodlike proteins on membranes and the associated membrane shape transformations are investigated by analytical theory and coarse-grained simulations. The membrane-mediated interactions between two banana-shaped inclusions are derived theoretically using a point-like formalism based on fixed anisotropic curvatures, both for zero surface tension and for finite surface tension. On a larger scale, the interactions between the assemblies of such rodlike inclusions are determined analytically...
May 25, 2017: Soft Matter
https://www.readbyqxmd.com/read/28539730/near-infrared-spectroscopy-as-a-process-analytical-technology-tool-for-monitoring-the-parching-process-of-traditional-chinese-medicine-based-on-two-kinds-of-chemical-indicators
#13
Kaiyue Li, Weiying Wang, Yanping Liu, Su Jiang, Guo Huang, Liming Ye
BACKGROUND: The active ingredients and thus pharmacological efficacy of traditional Chinese medicine (TCM) at different degrees of parching process vary greatly. OBJECTIVE: Near-infrared spectroscopy (NIR) was used to develop a new method for rapid online analysis of TCM parching process, using two kinds of chemical indicators (5-(hydroxymethyl) furfural [5-HMF] content and 420 nm absorbance) as reference values which were obviously observed and changed in most TCM parching process...
April 2017: Pharmacognosy Magazine
https://www.readbyqxmd.com/read/28539616/analytical-consideration-of-liquid-droplet-impingement-on-solid-surfaces
#14
Yukihiro Yonemoto, Tomoaki Kunugi
In industrial applications involving spray-cooling, combustion, and so on, prediction of the maximum spreading diameter of a droplet impinging on a solid surface permits a quantitative estimation of heat removal and energy consumption. However, although there are many experimental studies regarding droplet impingement behaviour, theoretical models have an applicability limit for predicting the maximum spreading diameter. In the present study, we have developed an analytical model for droplet impingement based on energy conservation that considers adhesion energy in both horizontal and vertical directions at the contact line...
May 24, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28539481/inferring-stratified-parasitoid-dispersal-mechanisms-and-parameters-from-coarse-data-using-mathematical-and-bayesian-methods
#15
Christopher Strickland, Nadiah P Kristensen, Laura Miller
Biological invasions have movement at the core of their success. However, due to difficulties in collecting data, medium- and long-distance dispersal of small insects has long been poorly understood and likely to be underestimated. The agricultural release of parasitic hymenoptera, a group of wasps that are critical for biological pest control, represents a rare opportunity to study the spread of insects on multiple spatial scales. As these insects are typically less than 1 mm in size and are challenging to track individually, a first-time biocontrol release will provide a known spatial position and time of initial release for all individuals that are subsequently collected...
May 2017: Journal of the Royal Society, Interface
https://www.readbyqxmd.com/read/28539083/patient-length-of-stay-and-mortality-prediction-a-survey
#16
Aya Awad, Mohamed Bader-El-Den, James McNicholas
Over the past few years, there has been increased interest in data mining and machine learning methods to improve hospital performance, in particular hospitals want to improve their intensive care unit statistics by reducing the number of patients dying inside the intensive care unit. Research has focused on prediction of measurable outcomes, including risk of complications, mortality and length of hospital stay. The length of stay is an important metric both for healthcare providers and patients, influenced by numerous factors...
May 2017: Health Services Management Research
https://www.readbyqxmd.com/read/28538110/the-effect-of-individual-movements-and-interventions-on-the-spread-of-influenza-in-long-term-care-facilities
#17
Mehdi Najafi, Marek Laskowski, Pieter T de Boer, Evelyn Williams, Ayman Chit, Seyed M Moghadas
BACKGROUND: Nosocomial influenza poses a serious risk among residents of long-term care facilities (LTCFs). OBJECTIVE: We sought to evaluate the effect of resident and staff movements and contact patterns on the outcomes of various intervention strategies for influenza control in an LTCF. METHODS: We collected contact frequency data in Canada's largest veterans' LTCF by enroling residents and staff into a study that tracked their movements through wireless tags and signal receivers...
May 1, 2017: Medical Decision Making: An International Journal of the Society for Medical Decision Making
https://www.readbyqxmd.com/read/28536892/patient-specific-stress-analyses-in-the-ascending-thoracic-aorta-using-a-finite-element-implementation-of-the-constrained-mixture-theory
#18
S Jamaleddin Mousavi, Stéphane Avril
It is now a rather common approach to perform patient-specific stress analyses of arterial walls using finite-element models reconstructed from gated medical images. However, this requires to compute for every Gauss point the deformation gradient between the current configuration and a stress-free reference configuration. It is technically difficult to define such a reference configuration, and there is actually no guarantee that a stress-free configuration is physically attainable due to the presence of internal stresses in unloaded soft tissues...
May 23, 2017: Biomechanics and Modeling in Mechanobiology
https://www.readbyqxmd.com/read/28536713/calibration-transfer-of-near-infrared-spectroscopy-by-canonical-correlation-analysis-coupled-with-wavelet-transform
#19
Jun Bin, Xin Li, Wei Fan, Ji-Heng Zhou, Cheng-Wei Wang
Calibration model transfer has played a prominent role in the practical application of NIR spectral analysis. The change of instruments and sample physical states may lead to variation of the NIR spectrum, which results in the applicability of the model in judicatory practice being unsatisfactory. Therefore, a transfer for the calibration model considering both the variation of instruments and sample states is a necessity to ensure its availability. In this paper, a novel approach, namely canonical correlation analysis coupled with wavelet transform (WTCCA), was proposed for calibration transfer between two near infrared spectrometers (a portable and a laboratory instrument), and simultaneously, among three physical states (tobacco powder, tobacco filament and intact leaf) to determine the content of total sugars, reducing sugars, and nicotine in tobacco leaf samples, respectively...
May 24, 2017: Analyst
https://www.readbyqxmd.com/read/28536476/a-chemometrics-driven-strategy-for-the-bioactivity-evaluation-of-complex-multicomponent-systems-and-the-effective-selection-of-bioactivity-predictive-chemical-combinations
#20
Yoshinori Fujimura, Chihiro Kawano, Ayaka Maeda-Murayama, Asako Nakamura, Akiko Koike-Miki, Daichi Yukihira, Eisuke Hayakawa, Takanori Ishii, Hirofumi Tachibana, Hiroyuki Wariishi, Daisuke Miura
Although understanding their chemical composition is vital for accurately predicting the bioactivity of multicomponent drugs, nutraceuticals, and foods, no analytical approach exists to easily predict the bioactivity of multicomponent systems from complex behaviors of multiple coexisting factors. We herein represent a metabolic profiling (MP) strategy for evaluating bioactivity in systems containing various small molecules. Composition profiles of diverse bioactive herbal samples from 21 green tea extract (GTE) panels were obtained by a high-throughput, non-targeted analytical procedure...
May 23, 2017: Scientific Reports
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