We study the lateral domain structure in a coarse-grained molecular model for multicomponent lipid bilayers by semi-grandcanonical Monte Carlo simulations. The membranes are filled with liquid ordered (lo) domains surrounded by a liquid disordered (ld) matrix. Depending on the membrane composition and temperature, we identify different morphological regimes: one regime (I) where the lo domains are small and relatively compact, and two regimes (II, II') where they are larger and often interconnected. In the latter two regimes, the ld matrix forms a network of disordered trenches separating the lo domains, with a relatively high content of interdigitated line defects. Since such defects are also a structural element of the modulated ripple phase in one component membranes, we argue that the regimes II, II' may be amorphous equivalents of the ripple phase in multicomponent membranes. We also analyze the local structure and provide evidence that the domains in regime I are stabilized by a monolayer curvature mechanism postulated in earlier work [S. Meinhardt et al., PNAS, 2013, 110, 4476].
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http://dx.doi.org/10.1039/c8sm02261e | DOI Listing |
Polymers (Basel)
January 2025
Institute for Plastics Processing (IKV) in Industry and Craft, RWTH Aachen University, Seffenter Weg 201, 52074 Aachen, Germany.
The need for an efficient adaptation of existing polypropylene (PP) formulations or the creation of new formulations has become increasingly important in various industries. Variations in viscosity resulting from changes in raw materials, fillers, and additives can have a significant impact on the processing and quality of PP products. This study presents the development of an analytical model designed to predict the shear viscosity of complex PP blends.
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January 2025
Department of Mechanical Engineering, Indian Institute of Technology Guwahati, Guwahati, 781039, India.
Refractory High-Entropy Alloys (RHEAs), such as NbMoTaW, MoNbTaVW, HfNbTaZr, ReHfNbTaW, NbTiAlVTaHfW, TiNbMoTaW (x = 0, 0.25, 0.5, 0.
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January 2025
Department of Process Engineering and Technology of Polymer and Carbon Materials, Wroclaw University of Science and Technology, Wybrzeże Wyspiańskiego 27, Wrocław, 50-370, Poland.
The presence of traces of herbicides in ground and surface waters can have adverse impacts on humans and the environment. Therefore, developing a highly selective and reusable adsorbent for monitoring water quality has become important. This article describes smart green molecularly imprinted polymers (MIPs) as selective sorbents of S-metolachlor herbicide for solid phase extraction (SPE).
View Article and Find Full Text PDFBioengineering (Basel)
December 2024
Center of Biomedical Imaging, Department of Radiology, New York University Grossman School of Medicine, New York, NY 10016, USA.
Non-linear least squares (NLS) methods are commonly used for quantitative magnetic resonance imaging (MRI), especially for multi-exponential T1ρ mapping, which provides precise parameter estimation for different relaxation models in tissues, such as mono-exponential (ME), bi-exponential (BE), and stretched-exponential (SE) models. However, NLS may suffer from problems like sensitivity to initial guesses, slow convergence speed, and high computational cost. While deep learning (DL)-based T1ρ fitting methods offer faster alternatives, they often face challenges such as noise sensitivity and reliance on NLS-generated reference data for training.
View Article and Find Full Text PDFComb Chem High Throughput Screen
January 2025
Renowned Medical Clinic, The Second Affiliated Hospital of Anhui University of Chinese Medicine, 300 Shouchun Road, Hefei, 230031, Anhui, China.
Purpose: The incidence of Functional Dyspepsia (FD) is gradually increasing, yet there are currently no effective treatment methods available. This study explored the effective components, potential targets, and pathways of Shi-San-Wei-He-Zhong-Wan (SSWHZW) in the treatment of FD, aiming to provide new insights into its treatment.
Methods: First, the Chinese Medicine System Pharmacology Database and Analysis Platform (TCMSP) and GeneCards databases were utilized to identify the major active components of SSWHZW and potential therapeutic targets of FD.
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