Complete inhibition of a polyol nucleation by a micromolar biopolymer additive

Wen, Xin; Wang, Sen; Ramji, Robert; Butler, Luke O.; Bagdagulyan, Yelena; Kishishita, Audrey; Golen, James A.; Rheingold, Arnold L.; Kim, Soo-Kyung; Goddard, William A.; Pascal, Tod A.

doi:10.1016/j.xcrp.2021.100723

Title: Complete inhibition of a polyol nucleation by a micromolar biopolymer additive

Journal Article · 10 January 2022 · Cell Reports Physical Science

DOI: https://doi.org/10.1016/j.xcrp.2021.100723 · OSTI ID:1981793

^[1]; Wang, Sen ^[1];

^[2]; Butler, Luke O. ^[2]; Bagdagulyan, Yelena ^[1]; Kishishita, Audrey ^[1]; Golen, James A. ^[2]; Rheingold, Arnold L. ^[2];

^[3]; Goddard, William A. ^[3]; Pascal, Tod A. ^[2]

California State University, Los Angeles, CA (United States)
Univ. of California San Diego, La Jolla, CA (United States)
California Institute of Technology (CalTech), Pasadena, CA (United States)

Preventing spontaneous crystallization of supersaturated solutions by additives is of critical interest to successful process design and implementation, with numerous applications in chemical, pharmaceutical, medical, pigment, and food industries, but challenges remain in laboratory and industry settings and fundamental understanding is lacking. When copresented with antifreeze proteins (AFPs), otherwise spontaneously crystallizing osmolytes are maintained at high supersaturations for months in over-wintering organisms. Thus, we here explore the inhibition phenomenon by AFPs, using persistent crystallization of a common sugar alcohol, D-mannitol, as a case study. We report experimentally that DAFP1, an insect AFP, completely inhibits D-mannitol nucleation. Computer simulations reveal a new mechanism for crystallization inhibition where the population of the crystal-forming conformers are selectively bound and randomized in solution by hydrogen bonding to the protein surface. These results highlight the advantages of using natural polymers to address crystallization inhibition challenges and suggest new strategies in controlling the nucleation processes.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)

Sponsoring Organization:: National Institutes of Health (NIH); National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1981793

Journal Information:: Cell Reports Physical Science, Journal Name: Cell Reports Physical Science Journal Issue: 2 Vol. 3; ISSN 2666-3864

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Related Subjects

59 BASIC BIOLOGICAL SCIENCES
D-mannitol
antifreeze protein
atomistic mechanism
biopolymer
crystal forming rotamer
effective additive
molecular dynamics
nucleation inhibition
polyol
sugar alcohol

Title: Complete inhibition of a polyol nucleation by a micromolar biopolymer additive

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