Abstract:
:Starch is an important resource in nature, and HHP (high hydrostatic pressure) is one of the most important physical modification technologies. In this study, molecular dynamics simulation was used to explore the interchain interaction and the changes of molecule conformations of amylopectin and double-amylose helix at atomic level in different pressure. The results shown that, firstly, high pressure increased the content of 4C1 chair conformation, decreased the RMSD (root mean square deviations) and RMSF (root mean square fluctuation), made molecules more stable. Secondly, high pressure increased the interchain VDW (Van der Waals) and electrostatic forces, then caused the decreases of the interchain distances and surface area of both amylopectin and double-amylose, made molecules more compact. Thirdly, high pressure decreased the intramolecular hydrogen bonds, increased the molecule-solvent hydrogen bonds. These findings can explain some existing experimental phenomena from the atomic level, meanwhile, it may also provide importance reference value for using of HHP in starch processing and the studies of starch granule structure.
journal_name
Int J Biol Macromoljournal_title
International journal of biological macromoleculesauthors
Zhi-Guang C,Jun-Rong H,Hua-Yin P,Qi Y,Chen-Lu Fdoi
10.1016/j.ijbiomac.2020.03.190subject
Has Abstractpub_date
2020-07-15 00:00:00pages
91-102eissn
0141-8130issn
1879-0003pii
S0141-8130(20)32776-8journal_volume
155pub_type
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