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https://www.readbyqxmd.com/read/28918570/mathematical-description-of-drug-target-interactions-application-to-biologics-that-bind-to-targets-with-two-binding-sites
#1
Leonid Gibiansky, Ekaterina Gibiansky
The emerging discipline of mathematical pharmacology occupies the space between advanced pharmacometrics and systems biology. A characteristic feature of the approach is application of advance mathematical methods to study the behavior of biological systems as described by mathematical (most often differential) equations. One of the early application of mathematical pharmacology (that was not called this name at the time) was formulation and investigation of the target-mediated drug disposition (TMDD) model and its approximations...
September 16, 2017: Journal of Pharmacokinetics and Pharmacodynamics
https://www.readbyqxmd.com/read/28918504/autism-spectrum-disorders-and-disease-modeling-using-stem-cells
#2
REVIEW
Anita Brito, Fabiele Baldino Russo, Alysson Renato Muotri, Patricia Cristina Baleeiro Beltrão-Braga
Autism spectrum disorders (ASD) represent a variety of disorders characterized as complex lifelong neurodevelopment disabilities, which may affect the ability of communication and socialization, including typical comportments like repetitive and stereotyped behavior. Other comorbidities are usually present, such as echolalia, hypotonia, intellectual disability and difficulties in processing figured speech. Furthermore, some ASD individuals may present certain abilities, such as eidetic memory, outstanding musical or painting talents and special mathematical skills, among others...
September 16, 2017: Cell and Tissue Research
https://www.readbyqxmd.com/read/28918301/mathematical-fundamentals-for-the-noise-immunity-of-the-genetic-code
#3
Elena Fimmel, Lutz Strüngmann
Symmetry is one of the essential and most visible patterns that can be seen in nature. Starting from the left-right symmetry of the human body, all types of symmetry can be found in crystals, plants, animals and nature as a whole. Similarly, principals of symmetry are also some of the fundamental and most useful tools in modern mathematical natural science that play a major role in theory and applications. As a consequence, it is not surprising that the desire to understand the origin of life, based on the genetic code, forces us to involve symmetry as a mathematical concept...
September 13, 2017: Bio Systems
https://www.readbyqxmd.com/read/28918080/the-tail-of-two-models-impact-of-circularity-and-biomass-non-homogeneity-on-uv-disinfection-of-wastewater-flocs
#4
Y Azimi, Y Liu, T C Tan, D G Allen, R R Farnood
The effects of floc structural characteristics, i.e. shape and dense biomass distribution, were evaluated on ultraviolet (UV) disinfection resistance, represented by the tailing level of the UV dose response curve (DRC). Ellipsoid-shaped flocs of similar volume and different projected circularities were constructed in-silico and a mathematical model was developed to compare their UV DRC tailing levels (indicative of UV-resistance). It was found that floc shape can significantly influence tailing level, and rounder flocs (i...
September 6, 2017: Water Research
https://www.readbyqxmd.com/read/28917534/modeling-the-modified-drug-release-from-curved-shape-drug-delivery-systems-dome-matrix-%C3%A2
#5
D Caccavo, A A Barba, M d'Amore, R De Piano, G Lamberti, A Rossi, P Colombo
The controlled drug release from hydrogel-based drug delivery systems is a topic of large interest for research in pharmacology. The mathematical modeling of the behavior of these systems is a tool of emerging relevance, since the simulations can be of use in the design of novel systems, in particular for complex shaped tablets. In this work a model, previously developed, was applied to complex-shaped oral drug delivery systems based on hydrogels (Dome Matrix®). Furthermore, the model was successfully adopted in the description of drug release from partially accessible Dome Matrix® systems (systems with some surfaces coated)...
September 13, 2017: European Journal of Pharmaceutics and Biopharmaceutics
https://www.readbyqxmd.com/read/28917119/a-mechanistic-model-for-drug-release-from-plga-based-drug-eluting-stent-a-computational-study
#6
Jahed Naghipoor, Timon Rabczuk
Atherosclerosis in the coronary artery is one of the leading causes of death in the world. The stenting as a minimally invasive technique was considered as an effective tool to reduce the severity of atherosclerotic stenosis. In-stent restenosis is the main drawback of the stenting in the coronary artery. Understanding the mechanism of drug release from drug-eluting stents and drug uptake in the arterial wall and obtaining more information about their functionality using mathematical modeling and numerical simulation, could be considered as a predictive tool to investigate in-stent restenosis growth which is experimentally expensive to study...
September 8, 2017: Computers in Biology and Medicine
https://www.readbyqxmd.com/read/28916836/modelling-the-deformation-of-the-elastin-network-in-aortic-valve
#7
Afshin Anssari-Benam, Andrea Bucchi
This paper is concerned with proposing a suitable structurally-motivated strain energy function for modelling the deformation of the elastin network within the aortic valve (AV) tissue. The AV elastin network is the main non-collagenous load-bearing component of the valve matrix and therefore, within the context of continuum-based modelling of the AV, it essentially serves as the contribution of the 'isotropic matrix'. To date, such function has mainly been considered as either a generic neo-Hookean term or a general exponential function...
September 16, 2017: Journal of Biomechanical Engineering
https://www.readbyqxmd.com/read/28916737/determining-ribavirin-s-mechanism-of-action-against-lassa-virus-infection
#8
Paola Carrillo-Bustamante, Thi Huyen Tram Nguyen, Lisa Oestereich, Stephan Günther, Jeremie Guedj, Frederik Graw
Ribavirin is a broad spectrum antiviral which inhibits Lassa virus (LASV) replication in vitro but exhibits a minor effect on viremia in vivo. However, ribavirin significantly improves the disease outcome when administered in combination with sub-optimal doses of favipiravir, a strong antiviral drug. The mechanisms explaining these conflicting findings have not been determined, so far. Here, we used an interdisciplinary approach combining mathematical models and experimental data in LASV-infected mice that were treated with ribavirin alone or in combination with the drug favipiravir to explore different putative mechanisms of action for ribavirin...
September 15, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28916397/computational-assessment-of-model-based-wave-separation-using-a-database-of-virtual-subjects
#9
Bernhard Hametner, Magdalena Schneider, Stephanie Parragh, Siegfried Wassertheurer
The quantification of arterial wave reflection is an important area of interest in arterial pulse wave analysis. It can be achieved by wave separation analysis (WSA) if both the aortic pressure waveform and the aortic flow waveform are known. For better applicability, several mathematical models have been established to estimate aortic flow solely based on pressure waveforms. The aim of this study is to investigate and verify the model-based wave separation of the ARCSolver method on virtual pulse wave measurements...
September 12, 2017: Journal of Biomechanics
https://www.readbyqxmd.com/read/28916392/formulation-construction-and-analysis-of-kinetic-models-of-metabolism-a-review-of-modelling-frameworks
#10
REVIEW
Pedro A Saa, Lars K Nielsen
Kinetic models are critical to predict the dynamic behaviour of metabolic networks. Mechanistic kinetic models for large networks remain uncommon due to the difficulty of fitting their parameters. Recent modelling frameworks promise new ways to overcome this obstacle while retaining predictive capabilities. In this review, we present an overview of the relevant mathematical frameworks for kinetic formulation, construction and analysis. Starting with kinetic formalisms, we next review statistical methods for parameter inference, as well as recent computational frameworks applied to the construction and analysis of kinetic models...
September 12, 2017: Biotechnology Advances
https://www.readbyqxmd.com/read/28915310/modelling-the-effects-of-lactic-acid-sodium-benzoate-and-temperature-on-the-growth-of-candida-maltosa
#11
Ľubomír Valík, Pavel Ačai, Denisa Liptáková
The growth of the oxidatively imperfect yeast Candida maltosa Komagata, Nakase et Katsuya was studied experimentally and modelled mathematically in relation to sodium benzoate and lactic acid concentrations at different temperatures. Application of gamma models for the growth rate resulted in determination of cardinal temperature parameters for the growth environment containing lactic acid or sodium benzoate (Tmin = 0.7/1.3 °C, Tmax = 45.3/45.0 °C, Topt = 36.1/37.0 °C, μopt = 0.88/0.96 h(-1) ) as well as the maximal lactic acid concentration for growth (1...
September 15, 2017: Letters in Applied Microbiology
https://www.readbyqxmd.com/read/28915271/extending-topological-surgery-to-natural-processes-and-dynamical-systems
#12
Stathis Antoniou, Sofia Lambropoulou
Topological surgery is a mathematical technique used for creating new manifolds out of known ones. We observe that it occurs in natural phenomena where a sphere of dimension 0 or 1 is selected, forces are applied and the manifold in which they occur changes type. For example, 1-dimensional surgery happens during chromosomal crossover, DNA recombination and when cosmic magnetic lines reconnect, while 2-dimensional surgery happens in the formation of tornadoes, in the phenomenon of Falaco solitons, in drop coalescence and in the cell mitosis...
2017: PloS One
https://www.readbyqxmd.com/read/28915236/modeling-antibiotic-treatment-in-hospitals-a-systematic-approach-shows-benefits-of-combination-therapy-over-cycling-mixing-and-mono-drug-therapies
#13
Burcu Tepekule, Hildegard Uecker, Isabel Derungs, Antoine Frenoy, Sebastian Bonhoeffer
Multiple treatment strategies are available for empiric antibiotic therapy in hospitals, but neither clinical studies nor theoretical investigations have yielded a clear picture when which strategy is optimal and why. Extending earlier work of others and us, we present a mathematical model capturing treatment strategies using two drugs, i.e the multi-drug therapies referred to as cycling, mixing, and combination therapy, as well as monotherapy with either drug. We randomly sample a large parameter space to determine the conditions determining success or failure of these strategies...
September 2017: PLoS Computational Biology
https://www.readbyqxmd.com/read/28914879/metabolite-toxicity-slows-local-diversity-loss-during-expansion-of-a-microbial-cross-feeding-community
#14
Felix Goldschmidt, Roland R Regoes, David R Johnson
Metabolic interactions between populations can influence patterns of spatial organization and diversity within microbial communities. Cross-feeding is one type of metabolic interaction that is pervasive within microbial communities, where one genotype consumes a resource into a metabolite while another genotype then consumes the metabolite. A typical feature of cross-feeding is that the metabolite may impose toxicity if it accumulates to sufficient concentrations. However, little is known about the effect of metabolite toxicity on spatial organization and local diversity within microbial communities...
September 15, 2017: ISME Journal
https://www.readbyqxmd.com/read/28913744/eight-year-latent-class-trajectories-of-academic-and-social-functioning-in-children-with-attention-deficit-hyperactivity-disorder
#15
George J DuPaul, Paul L Morgan, George Farkas, Marianne M Hillemeier, Steve Maczuga
We examined trajectories of academic and social functioning in children with attention-deficit/hyperactivity disorder (ADHD) to identify those who might be at risk for especially severe levels of academic and social impairment over time. We estimated a series of growth mixture models using data from two subsamples of children participating in the NIMH Collaborative Multisite Multimodal Treatment Study of Children with ADHD (MTA) including those with at least baseline and 96-month data for reading and mathematics achievement (n = 392; 77...
September 15, 2017: Journal of Abnormal Child Psychology
https://www.readbyqxmd.com/read/28913666/quantitative-modeling-of-the-dynamics-and-intracellular-trafficking-of-far-red-light-activatable-prodrugs-implications-in-stimuli-responsive-drug-delivery-system
#16
Mengjie Li, Pritam Thapa, Pallavi Rajaputra, Moses Bio, Cody J Peer, William D Figg, Youngjae You, Sukyung Woo
The combination of photodynamic therapy (PDT) with anti-tumor agents is a complimentary strategy to treat local cancers. We developed a unique photosensitizer (PS)-conjugated paclitaxel (PTX) prodrug in which a PS is excited by near-infrared wavelength light to site-specifically release PTX while generating singlet oxygen (SO) to effectively kill cancer cells with both PTX and SO. The aim of the present study was to identify the determinants influencing the combined efficacy of this light-activatable prodrug, especially the bystander killing effects from released PTX...
September 14, 2017: Journal of Pharmacokinetics and Pharmacodynamics
https://www.readbyqxmd.com/read/28913178/modeling-cancer-cell-growth-dynamics-in-vitro-in-response-to-antimitotic-drug-treatment
#17
Alexander Lorz, Dana-Adriana Botesteanu, Doron Levy
Investigating the role of intrinsic cell heterogeneity emerging from variations in cell-cycle parameters and apoptosis is a crucial step toward better informing drug administration. Antimitotic agents, widely used in chemotherapy, target exclusively proliferative cells and commonly induce a prolonged mitotic arrest followed by cell death via apoptosis. In this paper, we developed a physiologically motivated mathematical framework for describing cancer cell growth dynamics that incorporates the intrinsic heterogeneity in the time individual cells spend in the cell-cycle and apoptosis process...
2017: Frontiers in Oncology
https://www.readbyqxmd.com/read/28912828/dendritic-immunotherapy-improvement-for-an-optimal-control-murine-model
#18
J C Rangel-Reyes, J C Chimal-Eguía, E Castillo-Montiel
Therapeutic protocols in immunotherapy are usually proposed following the intuition and experience of the therapist. In order to deduce such protocols mathematical modeling, optimal control and simulations are used instead of the therapist's experience. Clinical efficacy of dendritic cell (DC) vaccines to cancer treatment is still unclear, since dendritic cells face several obstacles in the host environment, such as immunosuppression and poor transference to the lymph nodes reducing the vaccine effect. In view of that, we have created a mathematical murine model to measure the effects of dendritic cell injections admitting such obstacles...
2017: Computational and Mathematical Methods in Medicine
https://www.readbyqxmd.com/read/28912771/selection-of-functional-quorum-sensing-systems-by-lysogenic-bacteriophages-in-pseudomonas-aeruginosa
#19
Miguel A Saucedo-Mora, Paulina Castañeda-Tamez, Adrián Cazares, Judith Pérez-Velázquez, Burkhard A Hense, Daniel Cazares, Wendy Figueroa, Marco Carballo, Gabriel Guarneros, Berenice Pérez-Eretza, Nelby Cruz, Yoshito Nishiyama, Toshinari Maeda, Javier A Belmont-Díaz, Thomas K Wood, Rodolfo García-Contreras
Quorum sensing (QS) in Pseudomonas aeruginosa coordinates the expression of virulence factors, some of which are used as public goods. Since their production is a cooperative behavior, it is susceptible to social cheating in which non-cooperative QS deficient mutants use the resources without investing in their production. Nevertheless, functional QS systems are abundant; hence, mechanisms regulating the amount of cheating should exist. Evidence that demonstrates a tight relationship between QS and the susceptibility of bacteria against the attack of lytic phages is increasing; nevertheless, the relationship between temperate phages and QS has been much less explored...
2017: Frontiers in Microbiology
https://www.readbyqxmd.com/read/28912729/multiplicity-of-mathematical-modeling-strategies-to-search-for-molecular-and-cellular-insights-into-bacteria-lung-infection
#20
REVIEW
Martina Cantone, Guido Santos, Pia Wentker, Xin Lai, Julio Vera
Even today two bacterial lung infections, namely pneumonia and tuberculosis, are among the 10 most frequent causes of death worldwide. These infections still lack effective treatments in many developing countries and in immunocompromised populations like infants, elderly people and transplanted patients. The interaction between bacteria and the host is a complex system of interlinked intercellular and the intracellular processes, enriched in regulatory structures like positive and negative feedback loops. Severe pathological condition can emerge when the immune system of the host fails to neutralize the infection...
2017: Frontiers in Physiology
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