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000607607 0247_ $$2arXiv$$aarXiv:2306.05870
000607607 0247_ $$2datacite_doi$$a10.3204/PUBDB-2024-01943
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000607607 088__ $$2arXiv$$aarXiv:2306.05870
000607607 1001_ $$0P:(DE-H253)PIP1080948$$aAmin, Muhamed$$b0
000607607 245__ $$aLaser-induced alignment of nanoparticles and macromolecules for single-particle-imaging applications
000607607 260__ $$c2023
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000607607 520__ $$aLaser-induced alignment of particles and molecules was long envisioned to support three-dimensional structure determination using single-particle imaging with x-ray free-electron lasers [PRL 92, 198102 (2004)]. However, geometric alignment of isolated macromolecules has not yet been demonstrated. Using molecular modeling, we analyzed and demonstrated how the alignment of large nanorods and proteins is possible with standard laser technology, and performed a comprehensive analysis on the dependence of the degree of alignment on molecular properties and experimental details. Calculations of the polarizability anisotropy of about 150,000 proteins yielded a skew-normal distribution with a location of 1.2, which reveals that most of these proteins can be aligned using appropriate, realistic experimental parameters. Moreover, we explored the dependence of the degree of alignment on experimental parameters such as particle temperature and laser-pulse energy.
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000607607 7001_ $$0P:(DE-HGF)0$$aHartmann, Jean-Michel$$b1
000607607 7001_ $$0P:(DE-H253)PIP1032102$$aSamanta, Amit K.$$b2
000607607 7001_ $$0P:(DE-H253)PIP1012175$$aKüpper, Jochen$$b3$$eCorresponding author
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