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https://www.readbyqxmd.com/read/28533120/evaluation-of-new-chemical-entities-as-substrates-of-liver-transporters-in-the-pharmaceutical-industry-response-to-regulatory-requirements-and-future-steps
#1
Noriko Okudaira
This article discusses the evaluation of drug candidates as hepatic transporter substrates. Recently, research on the applications of hepatic transporters in the pharmaceutical industry has improved to meet the requirements of the regulatory guidelines for the evaluation of drug interactions. To identify the risk of transporter-mediated drug-drug interactions (DDIs) at an early stage of drug development, we employed a strategy of reviewing the in vivo animal pharmacokinetics and tissue distribution data obtained in the discovery stage together with the in vitro data obtained for regulatory submission...
May 19, 2017: Journal of Pharmaceutical Sciences
https://www.readbyqxmd.com/read/28526045/standardization-of-platelet-releasate-products-for-clinical-applications-in-cell-therapy-a-mathematical-approach
#2
Francesco Agostini, Jerry Polesel, Monica Battiston, Elisabetta Lombardi, Stefania Zanolin, Alessandro Da Ponte, Giuseppe Astori, Cristina Durante, Mario Mazzucato
BACKGROUND: Standardized animal-free components are required for manufacturing cell-based medicinal products. Human platelet concentrates are sources of growth factors for cell expansion but such products are characterized by undesired variability. Pooling together single-donor products improves consistency, but the minimal pool sample size was never determined. METHODS: Supernatant rich in growth factors (SRGF) derived from n = 44 single-donor platelet-apheresis was obtained by CaCl2 addition...
May 19, 2017: Journal of Translational Medicine
https://www.readbyqxmd.com/read/28523827/statistical-model-based-hplc-analytical-method-adjustment-strategy-to-adapt-to-different-sets-of-analytes-in-complicated-samples
#3
Binjun Yan, Xue Bai, Yunjie Sheng, Fanzhu Li
INTRODUCTION: On account of the complicated compositions of the products like traditional Chinese medicines (TCMs) and functional foods, it is a common practice to determine different sets of analytes in the same product for different purposes. OBJECTIVE: To efficiently develop the corresponding HPLC methods, a statistical model based analytical method adjustment (SMB-AMA) strategy was proposed. METHODS: In this strategy, the HPLC data acquired with design of experiments methodology were efficiently utilised to build the retention models for all the analytes and interferences shown in the chromatograms with multivariate statistical modelling methods...
May 19, 2017: Phytochemical Analysis: PCA
https://www.readbyqxmd.com/read/28523139/an-overview-of-the-use-of-artificial-neural-networks-in-lung-cancer-research
#4
EDITORIAL
Luca Bertolaccini, Piergiorgio Solli, Alessandro Pardolesi, Antonello Pasini
The artificial neural networks (ANNs) are statistical models where the mathematical structure reproduces the biological organisation of neural cells simulating the learning dynamics of the brain. Although definitions of the term ANN could vary, the term usually refers to a neural network used for non-linear statistical data modelling. The neural models applied today in various fields of medicine, such as oncology, do not aim to be biologically realistic in detail but just efficient models for nonlinear regression or classification...
April 2017: Journal of Thoracic Disease
https://www.readbyqxmd.com/read/28521678/ipgk-pseaac-identify-lysine-phosphoglycerylation-sites-in-proteins-by-incorporating-four-different-tiers-of-amino-acid-pairwise-coupling-information-into-the-general-pseaac
#5
Li-Ming Liu, Yan Xu, Kuo-Chen Chou
BACKGROUND: Occurring at Lys residues, the PGK (lysine phosphoglycerylation) is a special kind of post-translational modification (PTM). It may invert the charge potential of the modified residue and change the protein structures and functions, causing various diseases in liver, brain, and kidney. OBJECTIVE: From the angles of both basic research and drug development, we are facing a critical challenging problem: for an uncharacterized protein sequence containing many Lys residues, which ones can be of phosphoglycerylation, and which ones cannot? METHOD: To address this problem, we have developed a predictor called iPGK-PseAAC by incorporating into the general PseAAC (pseudo amino acid composition) with four different tiers of amino acid pairwise coupling information, where tiers 1, 2, 3, and 4 refer to the amino acid pairwise couplings between all the 1st, 2nd, 3rd, and 4th most contiguous residues along a protein segment, respectively...
May 15, 2017: Medicinal Chemistry
https://www.readbyqxmd.com/read/28520403/integrated-strategy-for-unknown-ei-ms-identification-using-quality-control-calibration-curve-multivariate-analysis-ei-ms-spectral-database-and-retention-index-prediction
#6
Teruko Matsuo, Hiroshi Tsugawa, Hiromi Miyagawa, Eiichiro Fukusaki
Compound identification using unknown electron ionization (EI) mass spectra in gas chromatography coupled with mass spectrometry (GC-MS) is challenging in untargeted metabolomics, natural product chemistry, or exposome research. While the total count of EI-MS records included in publicly or commercially available databases is over 900,000, efficient use of this huge database has not been achieved in metabolomics. Therefore, we proposed a 'four-step' strategy for the identification of biologically significant metabolites using an integrated cheminformatics approach: (i) Quality control calibration curve to reduce background noise, (ii) variable selection by hypothesis testing in principal component analysis for the efficient selection of target peaks, (iii) searching the EI-MS spectral database, and (iv) retention index (RI) filtering in combination with RI predictions...
May 18, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/28512395/keypress-based-musical-preference-is-both-individual-and-lawful
#7
Sherri L Livengood, John P Sheppard, Byoung W Kim, Edward C Malthouse, Janet E Bourne, Anne E Barlow, Myung J Lee, Veronica Marin, Kailyn P O'Connor, John G Csernansky, Martin P Block, Anne J Blood, Hans C Breiter
Musical preference is highly individualized and is an area of active study to develop methods for its quantification. Recently, preference-based behavior, associated with activity in brain reward circuitry, has been shown to follow lawful, quantifiable patterns, despite broad variation across individuals. These patterns, observed using a keypress paradigm with visual stimuli, form the basis for relative preference theory (RPT). Here, we sought to determine if such patterns extend to non-visual domains (i.e...
2017: Frontiers in Neuroscience
https://www.readbyqxmd.com/read/28507240/mathematical-methods-in-medicine-neuroscience-cardiology-and-pathology
#8
José M Amigó, Michael Small
The application of mathematics, natural sciences and engineering to medicine is gaining momentum as the mutual benefits of this collaboration become increasingly obvious. This theme issue is intended to highlight the trend in the case of mathematics. Specifically, the scope of this theme issue is to give a general view of the current research in the application of mathematical methods to medicine, as well as to show how mathematics can help in such important aspects as understanding, prediction, treatment and data processing...
June 28, 2017: Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
https://www.readbyqxmd.com/read/28507239/pulsatile-flow-in-ventricular-catheters-for-hydrocephalus
#9
Á Giménez, M Galarza, U Thomale, M U Schuhmann, J Valero, J M Amigó
The obstruction of ventricular catheters (VCs) is a major problem in the standard treatment of hydrocephalus, the flow pattern of the cerebrospinal fluid (CSF) being one important factor thereof. As a first approach to this problem, some of the authors studied previously the CSF flow through VCs under time-independent boundary conditions by means of computational fluid dynamics in three-dimensional models. This allowed us to derive a few basic principles which led to designs with improved flow patterns regarding the obstruction problem...
June 28, 2017: Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
https://www.readbyqxmd.com/read/28507238/clustering-how-much-bias-do-we-need
#10
Tom Lorimer, Jenny Held, Ruedi Stoop
Scientific investigations in medicine and beyond increasingly require observations to be described by more features than can be simultaneously visualized. Simply reducing the dimensionality by projections destroys essential relationships in the data. Similarly, traditional clustering algorithms introduce data bias that prevents detection of natural structures expected from generic nonlinear processes. We examine how these problems can best be addressed, where in particular we focus on two recent clustering approaches, Phenograph and Hebbian learning clustering, applied to synthetic and natural data examples...
June 28, 2017: Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
https://www.readbyqxmd.com/read/28507237/multiscale-ordinal-network-analysis-of-human-cardiac-dynamics
#11
M McCullough, M Small, H H C Iu, T Stemler
In this study, we propose a new information theoretic measure to quantify the complexity of biological systems based on time-series data. We demonstrate the potential of our method using two distinct applications to human cardiac dynamics. Firstly, we show that the method clearly discriminates between segments of electrocardiogram records characterized by normal sinus rhythm, ventricular tachycardia and ventricular fibrillation. Secondly, we investigate the multiscale complexity of cardiac dynamics with respect to age in healthy individuals using interbeat interval time series and compare our findings with a previous study which established a link between age and fractal-like long-range correlations...
June 28, 2017: Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
https://www.readbyqxmd.com/read/28507236/dynamics-of-the-cell-mediated-immune-response-to-tumour-growth
#12
Álvaro G López, Jesús M Seoane, Miguel A F Sanjuán
Using a hybrid cellular automaton, we investigate the transient and asymptotic dynamics of the cell-mediated immune response to tumour growth. We analyse the correspondence between this dynamics and the three phases of the theory of immunoedition: elimination, equilibrium and escape. Our results demonstrate that the immune system can keep a tumour dormant for long periods of time, but that this dormancy is based on a frail equilibrium between the mechanisms that spur the immune response and the growth of the tumour...
June 28, 2017: Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
https://www.readbyqxmd.com/read/28507235/assessing-the-strength-of-cardiac-and-sympathetic-baroreflex-controls-via-transfer-entropy-during-orthostatic-challenge
#13
Alberto Porta, Andrea Marchi, Vlasta Bari, Beatrice De Maria, Murray Esler, Elisabeth Lambert, Mathias Baumert
The study assesses the strength of the causal relation along baroreflex (BR) in humans during an incremental postural challenge soliciting the BR. Both cardiac BR (cBR) and sympathetic BR (sBR) were characterized via BR sequence approaches from spontaneous fluctuations of heart period (HP), systolic arterial pressure (SAP), diastolic arterial pressure (DAP) and muscle sympathetic nerve activity (MSNA). A model-based transfer entropy method was applied to quantify the strength of the coupling from SAP to HP and from DAP to MSNA...
June 28, 2017: Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
https://www.readbyqxmd.com/read/28507234/modelling-far-field-pacing-for-terminating-spiral-waves-pinned-to-ischaemic-heterogeneities-in-cardiac-tissue
#14
E Boccia, S Luther, U Parlitz
In cardiac tissue, electrical spiral waves pinned to a heterogeneity can be unpinned (and eventually terminated) using electric far field pulses and recruiting the heterogeneity as a virtual electrode. While for isotropic media the process of unpinning is much better understood, the case of an anisotropic substrate with different conductivities in different directions still needs intensive investigation. To study the impact of anisotropy on the unpinning process, we present numerical simulations based on the bidomain formulation of the phase I of the Luo and Rudy action potential model modified due to the occurrence of acute myocardial ischaemia...
June 28, 2017: Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
https://www.readbyqxmd.com/read/28507233/transient-sequences-in-a-hypernetwork-generated-by-an-adaptive-network-of-spiking-neurons
#15
Oleg V Maslennikov, Dmitry S Shchapin, Vladimir I Nekorkin
We propose a model of an adaptive network of spiking neurons that gives rise to a hypernetwork of its dynamic states at the upper level of description. Left to itself, the network exhibits a sequence of transient clustering which relates to a traffic in the hypernetwork in the form of a random walk. Receiving inputs the system is able to generate reproducible sequences corresponding to stimulus-specific paths in the hypernetwork. We illustrate these basic notions by a simple network of discrete-time spiking neurons together with its FPGA realization and analyse their properties...
June 28, 2017: Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
https://www.readbyqxmd.com/read/28507232/energy-landscape-analysis-of-neuroimaging-data
#16
Takahiro Ezaki, Takamitsu Watanabe, Masayuki Ohzeki, Naoki Masuda
Computational neuroscience models have been used for understanding neural dynamics in the brain and how they may be altered when physiological or other conditions change. We review and develop a data-driven approach to neuroimaging data called the energy landscape analysis. The methods are rooted in statistical physics theory, in particular the Ising model, also known as the (pairwise) maximum entropy model and Boltzmann machine. The methods have been applied to fitting electrophysiological data in neuroscience for a decade, but their use in neuroimaging data is still in its infancy...
June 28, 2017: Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
https://www.readbyqxmd.com/read/28507231/biological-modelling-of-a-computational-spiking-neural-network-with-neuronal-avalanches
#17
Xiumin Li, Qing Chen, Fangzheng Xue
In recent years, an increasing number of studies have demonstrated that networks in the brain can self-organize into a critical state where dynamics exhibit a mixture of ordered and disordered patterns. This critical branching phenomenon is termed neuronal avalanches. It has been hypothesized that the homeostatic level balanced between stability and plasticity of this critical state may be the optimal state for performing diverse neural computational tasks. However, the critical region for high performance is narrow and sensitive for spiking neural networks (SNNs)...
June 28, 2017: Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
https://www.readbyqxmd.com/read/28507230/computational-design-of-treatment-strategies-for-proactive-therapy-on-atopic-dermatitis-using-optimal-control-theory
#18
Panayiotis Christodoulides, Yoshito Hirata, Elisa Domínguez-Hüttinger, Simon G Danby, Michael J Cork, Hywel C Williams, Kazuyuki Aihara, Reiko J Tanaka
Atopic dermatitis (AD) is a common chronic skin disease characterized by recurrent skin inflammation and a weak skin barrier, and is known to be a precursor to other allergic diseases such as asthma. AD affects up to 25% of children worldwide and the incidence continues to rise. There is still uncertainty about the optimal treatment strategy in terms of choice of treatment, potency, duration and frequency. This study aims to develop a computational method to design optimal treatment strategies for the clinically recommended 'proactive therapy' for AD...
June 28, 2017: Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
https://www.readbyqxmd.com/read/28507229/spread-of-competing-viruses-on-heterogeneous-networks
#19
Shanshan Chen, Kaihua Wang, Mengfeng Sun, Xinchu Fu
In this paper, we propose a model where two strains compete with each other at the expense of common susceptible individuals on heterogeneous networks by using pair-wise approximation closed by the probability-generating function (PGF). All of the strains obey the susceptible-infected-recovered (SIR) mechanism. From a special perspective, we first study the dynamical behaviour of an SIR model closed by the PGF, and obtain the basic reproduction number via two methods. Then we build a model to study the spreading dynamics of competing viruses and discuss the conditions for the local stability of equilibria, which is different from the condition obtained by using the heterogeneous mean-field approach...
June 28, 2017: Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
https://www.readbyqxmd.com/read/28507228/understanding-principles-of-integration-and-segregation-using-whole-brain-computational-connectomics-implications-for-neuropsychiatric-disorders
#20
REVIEW
Louis-David Lord, Angus B Stevner, Gustavo Deco, Morten L Kringelbach
To survive in an ever-changing environment, the brain must seamlessly integrate a rich stream of incoming information into coherent internal representations that can then be used to efficiently plan for action. The brain must, however, balance its ability to integrate information from various sources with a complementary capacity to segregate information into modules which perform specialized computations in local circuits. Importantly, evidence suggests that imbalances in the brain's ability to bind together and/or segregate information over both space and time is a common feature of several neuropsychiatric disorders...
June 28, 2017: Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
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