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131.
Highly spin polarized (SP) and half-metallic ferromagnetic systems are of considerable current interest and of potential importance for spintronic applications. Recent work has demonstrated that Co1-xFexS2 is a highly polarized ferromagnet (FM) where the spin polarization can be tuned by alloy composition. Using 59Co FM-NMR as a probe, we have measured the low-temperature spin relaxation in this system in magnetic fields from 0 to 1.0 T for 0相似文献
132.
[Structure: see text] Phenols are effective directing and activating groups for our allylchlorosilane reagents, allowing the highly enantioselective allylation of a range of 2-aminophenol-derived aldimines. When the phenol is incorporated into the substrate ketimines may be allylated highly enantioselectively, leading to the experimentally simple synthesis of a range of tertiary carbinamine structures. 相似文献
133.
Leighton TG 《The Journal of the Acoustical Society of America》2012,131(3):2551-2555
The existence of extra-terrestrial oceans offers the opportunities to set examination questions for which students in underwater acoustics do not already know the answers. The limited set of scenarios in Earth's oceans that can be presented to students as tractable examination questions means that, rather than properly assessing the individual scenario, students can rely on knowledge from previous examples in assessing, for example, which terms in equations are large and small, and what numerical values the answers are likely to take. The habit of adapting previous solutions with which the student is comfortable, to new scenarios, is not a safe approach to learn, as it ill equips the future scientist or engineer to identify and tackle problems which contain serious departures from their experience. 相似文献
134.
Anna Pavlova Diane L. Lynch Isabella Daidone Laura Zanetti-Polzi Micholas Dean Smith Chris Chipot Daniel W. Kneller Andrey Kovalevsky Leighton Coates Andrei A. Golosov Callum J. Dickson Camilo Velez-Vega Jos S. Duca Josh V. Vermaas Yui Tik Pang Atanu Acharya Jerry M. Parks Jeremy C. Smith James C. Gumbart 《Chemical science》2021,12(4):1513
The main protease (Mpro) of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is an attractive target for antiviral therapeutics. Recently, many high-resolution apo and inhibitor-bound structures of Mpro, a cysteine protease, have been determined, facilitating structure-based drug design. Mpro plays a central role in the viral life cycle by catalyzing the cleavage of SARS-CoV-2 polyproteins. In addition to the catalytic dyad His41–Cys145, Mpro contains multiple histidines including His163, His164, and His172. The protonation states of these histidines and the catalytic nucleophile Cys145 have been debated in previous studies of SARS-CoV Mpro, but have yet to be investigated for SARS-CoV-2. In this work we have used molecular dynamics simulations to determine the structural stability of SARS-CoV-2 Mpro as a function of the protonation assignments for these residues. We simulated both the apo and inhibitor-bound enzyme and found that the conformational stability of the binding site, bound inhibitors, and the hydrogen bond networks of Mpro are highly sensitive to these assignments. Additionally, the two inhibitors studied, the peptidomimetic N3 and an α-ketoamide, display distinct His41/His164 protonation-state-dependent stabilities. While the apo and the N3-bound systems favored Nδ (HD) and Nϵ (HE) protonation of His41 and His164, respectively, the α-ketoamide was not stably bound in this state. Our results illustrate the importance of using appropriate histidine protonation states to accurately model the structure and dynamics of SARS-CoV-2 Mpro in both the apo and inhibitor-bound states, a necessary prerequisite for drug-design efforts.The main protease (Mpro) of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is an attractive target for antiviral therapeutics. 相似文献
135.
Alexandre Chappard Dr. Craig Leighton Dr. Rebecca S. Saleeb Kiani Jeacock Dr. Sarah R. Ball Katie Morris Owen Kantelberg Dr. Ji-Eun Lee Dr. Elsa Zacco Prof. Dr. Annalisa Pastore Prof. Dr. Margaret Sunde Dr. David J. Clarke Dr. Patrick Downey Prof. Dr. Tilo Kunath Dr. Mathew H. Horrocks 《Angewandte Chemie (International ed. in English)》2023,62(15):e202216771
Protein misfolding and aggregation into oligomeric and fibrillar structures is a common feature of many neurogenerative disorders. Single-molecule techniques have enabled characterization of these lowly abundant, highly heterogeneous protein aggregates, previously inaccessible using ensemble averaging techniques. However, they usually rely on the use of recombinantly-expressed labeled protein, or on the addition of amyloid stains that are not protein-specific. To circumvent these challenges, we have made use of a high affinity antibody labeled with orthogonal fluorophores combined with fast-flow microfluidics and single-molecule confocal microscopy to specifically detect α-synuclein, the protein associated with Parkinson's disease. We used this approach to determine the number and size of α-synuclein aggregates down to picomolar concentrations in biologically relevant samples. 相似文献
136.