Three-dimensional electron diffraction (3D ED)/microcrystal electron diffraction (MicroED) techniques are gaining in popularity. However, the data processing often does not fit existing graphical user interface software, instead requiring the use of the terminal or scripting. , described in this article, provides a graphical user interface and extendable framework for processing of 3D ED/MicroED data. An illustrative project is described, in which multiple 3D ED/MicroED data sets collected on tetragonal lysozyme were processed with through the interface. The ability to resolve unmodelled features in the electrostatic potential map was compared between three strategies for merging data sets.
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http://dx.doi.org/10.1107/S1600576722002758 | DOI Listing |
iScience
December 2024
Faculty of Mechanical Engineering, University of Ljubljana, Askerceva 6, 1000 Ljubljana, Slovenia.
In the area of thermal management, thermal control elements (TCEs) and thermal control circuits (TCCs) are proving to be innovative solutions to the challenges of temperature control and heat dissipation in various applications, ranging from electronic cooling to energy conversion and temperature control in buildings. Their integration promises to improve power density, energy efficiency, system reliability and system life expectancy. With the aim of connecting researchers in the field of thermal management and accelerating the development of TCEs and TCCs, we have developed an open-source TCC simulation tool called TCCbuilder that enables a quick and easy time-dependent 1D numerical analysis of the behavior of TCEs and TCCs.
View Article and Find Full Text PDFSci Rep
January 2025
Dr. D. Y. Patil Vidyapeeth, Pune, Dr. D. Y. Patil School of Science & Technology, Tathawade, Pune, India.
Phytopathology
January 2025
Agricultural University of Hebei, 289 Lingyusi, Baoding, Baoding, Hebei, China, 071001;
Wheat leaf rust, caused by Erikss. (), is one of the most devastating diseases in common wheat ( L.) globally.
View Article and Find Full Text PDFEnviron Mol Mutagen
December 2024
Research and Development, Preclinical Safety, Sanofi, Industriepark Hoechst, Frankfurt am Main, Germany.
Genotoxicity is a critical determinant for assessing the safety of pharmaceutical drugs, their metabolites, and impurities. Among genotoxicity tests, mechanistic assays such as the MultiFlow® DNA damage assay (MFA) allows the investigations on mode of action (MoA) of DNA damage through four mechanistic markers recorded at two time points. Previous studies have shown that machine learning (ML) can enhance precision on classifying the MoA of genotoxicants.
View Article and Find Full Text PDFNucleic Acids Res
December 2024
Department of Mechanical Engineering, Carnegie Mellon University, Pittsburgh, PA 15213, USA.
Recent advances in computer-aided design tools have helped rapidly advance the development of wireframe DNA origami nanostructures. Specifically, automated tools now exist that can convert an input polyhedral mesh into a DNA origami nanostructure, greatly reducing the design difficulty for wireframe DNA origami nanostructures. However, one limitation of these automated tools is that they require a designer to fully conceptualize their intended nanostructure, which may be limited by their own preconceptions.
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