Results 21 to 30 of about 3,897,550 (347)
Graph isomorphism-based algorithm for cross-checking chemical and crystallographic descriptions
Journal of Cheminformatics, 2023 Published reports of chemical compounds often contain multiple machine-readable descriptions which may supplement each other in order to yield coherent and complete chemical representations.
Andrius Merkys +5 more
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Photosynthesis-based biosensors for environmental analysis of herbicides
Case Studies in Chemical and Environmental Engineering, 2021 It is generally agreed that photosynthetic organisms demonstrated their potential for the development of highly sensitive, sustainable, and affordable biosensors to detect toxic chemicals in aquatic ecosystems, being a primary target for most toxic ...
Amina Antonacci +3 more
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Medical Sciences Forum, 2022 The modification of capsule shells with synthesized magnetic iron oxide nanoparticles aims not only to control the localization of capsules, but also to tune their permeability. The application of a super low frequency non-heating magnetic field (100 Hz)
Ivan Burmistrov +6 more
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Biosensors, 2023 Today, complete blood count (CBC) analyses are highly automated and allow for high throughput and accurate and reliable results. However, new analytical tools are in great demand to provide simple, rapid and cost-effective management of hematological ...
Fabrizio Clemente +5 more
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Regio-selective substitution at the 1,3- and 6,8-positions of pyrene for the construction of small dipolar molecules [PDF]
, 2015 © 2015 American Chemical Society. This article presents a novel asymmetrical functionalization strategy for the construction of dipolar molecules via efficient regioselective functionalization along the Z-axis of pyrene at both the 1,3- and 6,8-positions.
Elsegood, Mark R. J. +8 more
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Analyzing Discrepancies in Chemical-Shift Predictions of Solid Pyridinium Fumarates
Molecules, 2021 Highly accurate chemical-shift predictions in molecular solids are behind the success and rapid development of NMR crystallography. However, unusually large errors of predicted hydrogen and carbon chemical shifts are sometimes reported.
Martin Dračínský
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Generalized crystallography [PDF]
, 2002 X-ray crystal structure analysis can now be seen as a special kind of microscopy which is being extended to the recognition and examination of many kinds of ordered structure more general than crystals and which leads to their synthesis or construction ...
Mackay, Alan L.
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IUCrJ, 2019 The fact that a protein crystal can serve as a chemical reaction vessel is intrinsically fascinating. That it can produce an electron-dense tetranuclear rhenium cluster compound from a rhenium tricarbonyl tribromo starting compound adds to the ...
Alice Brink, John R. Helliwell
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Molecules, 2021 Optimization of lead structures is crucial for drug discovery. However, the accuracy of such a prediction using the traditional molecular docking approach remains a major concern.
Suman Kumar Mandal, Parthapratim Munshi
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Mining electron density for functionally relevant protein polysterism in crystal structures. [PDF]
, 2010 This review focuses on conceptual and methodological advances in our understanding and characterization of the conformational heterogeneity of proteins.
Fraser, James S, Jackson, Colin J
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