TY - JOUR
T1 - Anionic H-bonds improve the disorganization of starch in metal chloride hydrate-natural deep eutectic solvents
AU - Nian, Binbin
AU - Hu, Yi
N1 - Publisher Copyright:
© 2022 Elsevier Ltd
PY - 2022/12/15
Y1 - 2022/12/15
N2 - In this study, several kinds of metal chloride hydrates were added into NADESs (natural deep eutectic solvents) and a series of three constituent-NADESs (3c-NADESs) were successfully developed. The results suggested that the addition of metal chloride hydrates can significantly enhance the solubility of starch, such as, the solubility in MgCl2-CGly-1 is 90.12 ± 3.49 g/100 g, which is 65 times higher than C-Gly (choline chloride-glycerol) (1.38 ± 0.65 g/100 g). The density functional calculation (DFT) suggested that a lower chloride occupancy of 3c-NADESs can provide more chloride ions used for the formation of hydrogen-bonding interaction with starch. Moreover, the molecular dynamic (MD) study demonstrates that Cl− may play a key role as “chisel” during the dissolution of starch, which can efficiently destroy the intra- and intermolecular hydrogen bonds (HO⋯O) of starch, allowed the penetration of other components and prevent the recovery crystal of starch.
AB - In this study, several kinds of metal chloride hydrates were added into NADESs (natural deep eutectic solvents) and a series of three constituent-NADESs (3c-NADESs) were successfully developed. The results suggested that the addition of metal chloride hydrates can significantly enhance the solubility of starch, such as, the solubility in MgCl2-CGly-1 is 90.12 ± 3.49 g/100 g, which is 65 times higher than C-Gly (choline chloride-glycerol) (1.38 ± 0.65 g/100 g). The density functional calculation (DFT) suggested that a lower chloride occupancy of 3c-NADESs can provide more chloride ions used for the formation of hydrogen-bonding interaction with starch. Moreover, the molecular dynamic (MD) study demonstrates that Cl− may play a key role as “chisel” during the dissolution of starch, which can efficiently destroy the intra- and intermolecular hydrogen bonds (HO⋯O) of starch, allowed the penetration of other components and prevent the recovery crystal of starch.
KW - Density functional calculation
KW - Hydrogen-bonding interaction
KW - Molecular dynamic study
KW - Natural deep eutectic solvents
KW - Starch solubility
UR - http://www.scopus.com/inward/record.url?scp=85139065699&partnerID=8YFLogxK
U2 - 10.1016/j.carbpol.2022.120150
DO - 10.1016/j.carbpol.2022.120150
M3 - 文章
C2 - 36241311
AN - SCOPUS:85139065699
SN - 0144-8617
VL - 298
JO - Carbohydrate Polymers
JF - Carbohydrate Polymers
M1 - 120150
ER -