Starch retrogradation involves both short- and long-range intermolecular interactions, while their relations with starch chain-length distribution (CLD) and digestibility are less clear. To address this, 9 types of starches with distinct CLDs were analyzed for intermolecular interactions and digestibility over 7 days of retrogradation. Wheat starch exhibited a higher ratio of long-range intermolecular interactions, while pea, mung bean, potato, sweet potato, lentil, and corn starch formed more short-range intermolecular interactions. All retrograded starches displayed B + V crystallinity with characteristic peaks at 17°, 20°, and 22°. The pores of some starch hydrogels shrank after retrogradation. Most importantly, positive correlations were for the first time observed between amylose chains of 100 < DP ≤ 5000 and intermolecular interactions. Whereas a higher level of the intermolecular interactions was negatively correlated with enzymatic binding rate constants (the rate-limiting step of digestion) and maximum digested percentages. In conclusion, these results suggest that starches with more amylose chains with 100 < DP ≤ 5000 are preferable in terms of promoting a slow starch digestibility.
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http://dx.doi.org/10.1016/j.ijbiomac.2025.141728 | DOI Listing |
J Biomol Struct Dyn
March 2025
School of Mechatronic Engineering and automation, Shanghai University, Shanghai, China.
Prediction of protein-ligand interactions is critical for drug discovery and repositioning. Traditional prediction methods are computationally intensive and limited in modeling structural changes. In contrast, data-driven deep learning methods significantly reduce computational costs and offer a more efficient approach for drug discovery.
View Article and Find Full Text PDFACS Appl Mater Interfaces
March 2025
Key Laboratory of Environmentally Friendly Chemistry and Application of Ministry of Education, College of Chemistry, Xiangtan University, Xiangtan 411105, China.
Green-solvent-processed all-polymer solar cells (AP-SCs) are regarded as an excellent candidate for renewable energy due to their better stability and eco-friendly features. Two polymers, PYF-U and PYF-BO, have been designed by introducing a Y-series derivative with difluoro-substituted dicyanindenone units and a difluorobenzotriazole derivative as the first and second electron-deficient (A) units, respectively. The introduction of two additional F atoms on dicyanindenone units leads to a more coplanar backbone because of noncovalent interactions.
View Article and Find Full Text PDF3 Biotech
April 2025
Department of Endocrinology and Metabolism, Gongli Hospital of Shanghai Pudong New Area, 219 Miao Pu Road, Shanghai, 200135 China.
Unlabelled: Despite the high morbidity of thyroid cancer (THCA), the underlying molecular pathology remains elusive. That autism-associated protein POGZ has recently been involved in tumorigenesis intrigues us exploring its relevant molecular regulatory network in THCA. Clinical characteristics and intermolecular relationships were dissected by bioinformatics.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
March 2025
Department of Chemistry, Bahir Dar University, PO Box 79, Bahir Dar, Ethiopia.
The asymmetric unit of the title salt, CHFNSe·Cl, contains one planar 4-fluoro-benzo[][1,2,5]selena-diazol-1-ium mol-ecular cation and a chloride anion. In the crystal, inter-molecular N-H⋯Cl hydrogen bonds link the 4-fluoro-benzo[][1,2,5]selena-diazol-1-ium mol-ecules, which are arranged in parallel layers along (104), to the chloride anions. The cationic layers, in turn, are stacked along [001].
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
March 2025
Instituto de Física de São Carlos (IFSC) Universidade de São Paulo (USP) 13566-590 São Carlos SP Brazil.
A new mebendazolium di-hydrogen phosphate phospho-ric acid solid material was obtained and characterized by single-crystal X-ray diffraction and complementary solid-state techniques {systematic name: 5-benzoyl-2-[(meth-oxy-carbon-yl)amino]-1-1,3-benzo-diazol-3-ium di-hydrogen phosphate-phos-pho-ric acid (1/1), CHNO ·HPO ·HPO}. Structure solution confirmed proton transfer from phospho-ric acid towards the basic imidazole ring of mebendazole. The mebendazolium cation and the di-hydrogen phosphate anion assemble in the solid state in a cyclic hydrogen-bond-driven supra-molecular motif, as observed in all mebendazolium/oxyanions structures reported in the literature.
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