Modelling and optimization
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... Modelling of the Liver -- 0. Leder, H. Scherberger, H. Kurz 13 -- 2. ... ... A Preliminary tissue type model of the human brain -- E. D. Lehmann, D. J. Hawkcs, D. L. G. ... ... Biophysical Interaction Between Heart and Lung -- (Simulations on Cumputcr Model) -- A. ... ... Risk-function Models for Optimal Drug Combination -- M. Barbosa 168 -- 24. ... ... Computer Model of Electrocardiographic Processes -- L. Horváth, A. ...
253 stran : ilustrace ; 21 cm
- MeSH
- biomedicínské technologie MeSH
- lékařská informatika MeSH
- počítačová simulace MeSH
- Publikační typ
- kongresy MeSH
- sborníky MeSH
- Konspekt
- Lékařské vědy. Lékařství
- NLK Obory
- lékařská informatika
554 s.
- Klíčová slova
- struktury chemické-aktivita biologická,
- Konspekt
- Biochemie. Molekulární biologie. Biofyzika
- NLK Obory
- chemie, klinická chemie
- biochemie
Východisko. Potenciální výhody a rizika nových operačních technik se mohou u jednotlivých pacientů projevit rozdílně. Cílem práce bylo na základě spolehlivé predikce pooperačních komplikací ověřit možnost vytvoření modelu pro optimalizaci operační techniky u souboru pacientů operovaných pro karcinom rekta. Materiál a metody. Do studie byli zařazeni pacienti operováni v průběhu pěti let pro karcinom konečníku laparoskopickou nebo otevřenou technikou. Matematické modely predikce pooperačních komplikací jednotlivých operačních technik byly odvozeny od skórovacího systému Physiological and Operative Severity Score for enUmeration of Mortality and morbidity (POSSUM). Spolehlivost predikce pro danou techniku byla otestována a pacienti souboru byli analyzováni s ohledem na „vhodnost“ použité operační techniky. Výsledky. Do studie bylo zařazeno 91 pacientů operovaných otevřenou technikou a 67 pacientů operovaných laparoskopicky s výskytem 45 %, resp. 39 % pooperačních komplikací. Z testovaných proměnných byly pro vznik pooperačních komplikací statisticky významné „kardiální příznaky“ a „závažnost operačního výkonu “ pro otevřené operace, „leukocyty“ a „závažnost operačního výkonu“ pro laparoskopické výkony. Modely predikce postavené na těchto proměnných vykázaly statisticky vysokou spolehlivost. V celém souboru by při ideální volbě operační techniky komplikace teoreticky poklesly o 36 %. Závěr. Spolehlivá predikce pooperačních komplikací může být efektivním nástrojem přizpůsobení chirurgické léčby individuálnímu pacientovi.
Background. Potential benefits and risks of new operation techniques can show up differently in the individual patients. The aim of this pilot study was to verify on the basis of reliable prediction of postoperative complications the possibility to create model for optimization of the operation technique in the cohort of patients operated for rectal carcinoma. Material and methods. The study involved patients operated in the course of five years for rectal carcinoma by means of laparoscopic or open technique. The mathematical models of prediction of postoperative complications of individual operative techniques were derived from the Physiological and Operative Severity Score for enUmeration of Mortality and Morbidity scoring system (POSSUM). The reliability of prediction for the given technique was tested and the patients of the cohort were analyzed with regard to the “suitability” of the operation technique used. Results. The study involved 91 patients operated using open technique and 67 patients operated laparoscopically with the occurrence of 45% and 39% of the postoperative complications respectively. The statistically relevant variables tested for the occurrence of postoperative complications were the “cardiac symptoms” and “severity of the surgery” for open operations, and “leukocytes” and “severity of the surgery” for the laparoscopic operations. The prediction models based on these variables showed statistically high reliability. The complications in the entire cohort would in case of ideal selection of surgical technique drop by 36%. Conclusion. Reliable prediction of the postoperative complications can be potentially effective tool to optimize surgical treatment for an individual patient.
Optimization of neural network topology, weights and neuron transfer functions for given data set and problem is not an easy task. In this article, we focus primarily on building optimal feed-forward neural network classifier for i.i.d. data sets. We apply meta-learning principles to the neural network structure and function optimization. We show that diversity promotion, ensembling, self-organization and induction are beneficial for the problem. We combine several different neuron types trained by various optimization algorithms to build a supervised feed-forward neural network called Group of Adaptive Models Evolution (GAME). The approach was tested on a large number of benchmark data sets. The experiments show that the combination of different optimization algorithms in the network is the best choice when the performance is averaged over several real-world problems.
Článek se zabývá problematikou léčby hemofilie, profylaktickou léčbou, rizikem vzniku inhibitoru koagulačních faktorů a možnostmi jeho minimalizace. Sdělení rozebírá farmakokinetické profilování, které se ukazuje jako účinný nástroj k optimalizaci léčby a k efektivnímu využití nákladů na léčbu. Tento přístup k léčbě umožňuje dávku a frekvenci dávkování určit na základě farmakokinetických dat konkrétního pacienta.
The article deals with the treatment of hemophilia, prophylactic treatment, risk of development of the coagulation factor inhibitor, and the options concerning its minimization. Pharmacokinetic profiling is being discussed, seeming to be an effective instrument allowing for treatment optimization and effective resource allocation. This approach makes it possible to define the dose and frequency of its application based on the pharmacokinetic data of any individual patient.
- Klíčová slova
- krvácení do kloubů, biologická poločas eliminace, myPKFiT, farmakokinetické profilování,
- MeSH
- dítě MeSH
- faktor IX terapeutické užití MeSH
- faktor VIII * ekonomika farmakokinetika terapeutické užití MeSH
- hemofilie A * farmakoterapie komplikace MeSH
- hemofilie B farmakoterapie komplikace MeSH
- koagulační faktory antagonisté a inhibitory MeSH
- lidé MeSH
- metabolická clearance MeSH
- nemoci kloubů * etiologie prevence a kontrola MeSH
- odběr vzorku krve využití MeSH
- on-line systémy MeSH
- poločas MeSH
- protilátky imunologie krev MeSH
- software MeSH
- teoretické modely MeSH
- Check Tag
- dítě MeSH
- lidé MeSH
Optical trapping of particles has become a powerful non-mechanical and non-destructive technique for precise particle positioning. The manipulation of particles in the evanescent field of a channel waveguide potentially allows for sorting and trapping of several particles and cells simultaneously. Channel waveguide designs can be further optimized to increase evanescent field prior to the fabrication process. This is crucial in order to make sure that the surface intensity is sufficient for optical trapping. Simulation configurations are explained in detail with specific simulation flow. Discussion on parameters optimization; physical geometry, optical polarization and wavelength is included in this paper. The effect of physical, optical parameters and beam spot size on evanescent field has been thoroughly discussed. These studies will continue toward the development of a novel copper ion-exchanged waveguide as a method of particle sorting, with biological cell propulsion studies presently underway.
- MeSH
- analýza selhání vybavení MeSH
- design s pomocí počítače MeSH
- design vybavení MeSH
- ionty chemie MeSH
- měď chemie MeSH
- optická pinzeta * MeSH
- počítačová simulace MeSH
- povrchová plasmonová rezonance přístrojové vybavení MeSH
- radiační rozptyl MeSH
- světlo MeSH
- teoretické modely * MeSH
- Publikační typ
- časopisecké články MeSH
- práce podpořená grantem MeSH
- přehledy MeSH
In silico methods like molecular docking and pharmacophore modeling are established strategies in lead identification. Their successful application for finding new active molecules for a target is reported by a plethora of studies. However, once a potential lead is identified, lead optimization, with the focus on improving potency, selectivity, or pharmacokinetic parameters of a parent compound, is a much more complex task. Even though in silico molecular modeling methods could contribute a lot of time and cost-saving by rationally filtering synthetic optimization options, they are employed less widely in this stage of research. In this review, we highlight studies that have successfully used computer-aided SAR analysis in lead optimization and want to showcase sound methodology and easily accessible in silico tools for this purpose.
- Publikační typ
- časopisecké články MeSH
- přehledy MeSH
Multienzyme processes represent an important area of biocatalysis. Their efficiency can be enhanced by optimization of the stoichiometry of the biocatalysts. Here we present a workflow for maximizing the efficiency of a three-enzyme system catalyzing a five-step chemical conversion. Kinetic models of pathways with wild-type or engineered enzymes were built, and the enzyme stoichiometry of each pathway was optimized. Mathematical modeling and one-pot multienzyme experiments provided detailed insights into pathway dynamics, enabled the selection of a suitable engineered enzyme, and afforded high efficiency while minimizing biocatalyst loadings. Optimizing the stoichiometry in a pathway with an engineered enzyme reduced the total biocatalyst load by an impressive 56 %. Our new workflow represents a broadly applicable strategy for optimizing multienzyme processes.
The fate of pesticides in tropical soils is still not understood as well as it is for soils in temperate regions. In this study, water flow and transport of bromide tracer and five pesticides (atrazine, imazaquin, sulfometuron methyl, S-metolachlor, and imidacloprid) through an undisturbed soil column of tropical Oxisol were analyzed using a one-dimensional numerical model. The numerical model is based on Richards' equation for solving water flow, and the advection-dispersion equation for solving solute transport. Data from a laboratory column leaching experiment were used in the uncertainty analysis using a global optimization methodology to evaluate the model's sensitivity to transport parameters. All pesticides were found to be relatively mobile (sorption distribution coefficients lower than 2 cm(3) g(-1)). Experimental data indicated significant non-conservative behavior of bromide tracer. All pesticides, with the exception of imidacloprid, were found less persistent (degradation half-lives smaller than 45 days). Three of the five pesticides (atrazine, sulfometuron methyl, and S-metolachlor) were better described by the linear kinetic sorption model, while the breakthrough curves of imazaquin and imidacloprid were more appropriately approximated using nonlinear instantaneous sorption. Sensitivity analysis suggested that the model is most sensitive to sorption distribution coefficient. The prediction limits contained most of the measured points of the experimental breakthrough curves, indicating adequate model concept and model structure for the description of transport processes in the soil column under study. Uncertainty analysis using a physically-based Monte Carlo modeling of pesticide fate and transport provides useful information for the evaluation of chemical leaching in Hawaii soils.
- MeSH
- bromidy chemie MeSH
- chemické látky znečišťující vodu analýza MeSH
- herbicidy chemie MeSH
- insekticidy chemie MeSH
- látky znečišťující půdu chemie MeSH
- pohyb vody MeSH
- teoretické modely * MeSH
- Publikační typ
- časopisecké články MeSH
- práce podpořená grantem MeSH
- Geografické názvy
- Havajské ostrovy MeSH
