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Pavel Levin J��r��mie Lefebvre Theodore J. Perkins 《Journal of the Royal Society Interface》2012,9(77):3411-3425
Many biomolecular systems depend on orderly sequences of chemical transformations or reactions. Yet, the dynamics of single molecules or small-copy-number molecular systems are significantly stochastic. Here, we propose state sequence analysis—a new approach for predicting or visualizing the behaviour of stochastic molecular systems by computing maximum probability state sequences, based on initial conditions or boundary conditions. We demonstrate this approach by analysing the acquisition of drug-resistance mutations in the human immunodeficiency virus genome, which depends on rare events occurring on the time scale of years, and the stochastic opening and closing behaviour of a single sodium ion channel, which occurs on the time scale of milliseconds. In both cases, we find that our approach yields novel insights into the stochastic dynamical behaviour of these systems, including insights that are not correctly reproduced in standard time-discretization approaches to trajectory analysis. 相似文献
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Johannes M. Scheiger Shuai Li Marius Brehm Andreas Bartschat Patrick Theato Pavel A. Levkin 《Advanced functional materials》2021,31(49):2105681
Organogels (hydrophobic polymer gels) are soft materials based on polymeric networks swollen in organic solvents. They are hydrophobic and possess a high content of solvent and low surface adhesion, rendering them interesting in applications such as encapsulants, drug delivery, actuators, slippery surfaces (self-cleaning, anti-waxing, anti-bacterial), or for oil-water separation. To design functional organogels, strategies to control their shape and surface structure are required. Herein, the inherent UV photodegradability of poly(methacrylate) organogels is reported. No additional photosensitizers are required to efficiently degrade organogels (d ≈ 1 mm) on the minute scale. A low UV absorbance and a high swelling ability of the solvent infusing the organogel are found to be beneficial for fast photodegradation, which is expected to be transferrable to other gel photochemistry. Organogel arrays, films, and structured organogel surfaces are prepared, and their extraction ability and slippery properties are examined. Films of inherently photodegradable organogels on copper circuit boards serve as the first ever positive gel photoresist. Spatially photodegraded organogel films protect or reveal copper surfaces against an etchant (FeCl3 aq.). 相似文献
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Boris P. Tarasov Pavel V. Fursikov Alexey A. Volodin Mikhail S. Bocharnikov Yustinas Ya Shimkus Aleksey M. Kashin Volodymyr A. Yartys Stanford Chidziva Sivakumar Pasupathi Mykhaylo V. Lototskyy 《International Journal of Hydrogen Energy》2021,46(25):13647-13657
Along with a brief overview of literature data on energy storage technologies utilising hydrogen and metal hydrides, this article presents results of the related R&D activities carried out by the authors. The focus is put on proper selection of metal hydride materials on the basis of AB5- and AB2-type intermetallic compounds for hydrogen storage and compression applications, based on the analysis of PCT properties of the materials in systems with H2 gas. The article also presents features of integrated energy storage systems utilising metal hydride hydrogen storage and compression, as well as their metal hydride based components developed at IPCP and HySA Systems. 相似文献
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Barina David Solony Marek Chlubna Tomas Dlabaja Drahomir Klima Ondrej Zemcik Pavel 《Multimedia Tools and Applications》2022,81(2):2517-2528
Multimedia Tools and Applications - In this article, we compare the impact of state-of-the-art light field compression methods. It addresses quality of (a) refocused images and (b) point clouds... 相似文献
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Ilya Nifantev Dmitry Gavrilov Alexander Tavtorkin Maria Chinova Victoria Besprozvannykh Pavel Komarov Vladimir Zaitsev Irina Podoprigora Pavel Ivchenko 《International journal of molecular sciences》2021,22(14)
In bone surgery and orthopedics, bioresorbable materials can be helpful in bone repair and countering post-op infections. Explicit antibacterial activity, osteoinductive and osteoconductive effects are essential to achieving this objective. Nonwoven electrospun (ES) fibers are receiving the close attention of physicians as promising materials for wound dressing and tissue engineering; potentially, in high contrast with dense materials, ES mats hamper regeneration of the bone extracellular matrix to a lesser extent. The use of the compositions of inherently biodegradable polyesters (poly(ε-caprolactone) PCL, poly(lactoglycolide), etc.), calcium phosphates and antibiotics is highly prospective, but the task of forming ES fibers from such compositions is complicated by the incompatibility of the main organic and inorganic ingredients, polyesters and calcium phosphates. In the present research we report the synthesis of hydroxyapatite (HAp) nanoparticles with uniform morphology, and demonstrate high efficiency of the block copolymer of PCL and poly(ethylene phosphoric acid) (PEPA) as an efficient compatibilizer for PCL/HAp mixtures that are able to form ES fibers with improved mechanical characteristics. The materials obtained in the presence of vancomycin exhibited incremental drug release against Staphylococcus aureus (St. aureus). 相似文献
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Boleslav Vrany Pavel Honzatko Jiri Kanka 《International Journal of Numerical Modelling》2011,24(5):448-456
We implemented a frequency‐resolved optical gating (FROG) measurement method using cross‐phase modulation in a highly birefringent microstructure optical fiber. The standard FROG data reconstruction algorithm of generalized projection failed for this setup and we successfully used the genetic algorithm (GA) instead which is less prone to get stuck to local minima. GA has several parameters that must be set up to suitable values. We describe the experimental setup and the algorithm and present our findings on what GA parameters are crucial and what are their optimal values. A single run of the algorithm takes 7 min on contemporary CPUs, making the algorithm suitable for routine laboratory work. Copyright © 2010 John Wiley & Sons, Ltd. 相似文献