A near-infrared fluorescent probe with thiadiazole unit as key skeleton for ICT and ESIPT mechanism and effective detection of Cu2.

Fluorescent probe L-I was synthesized to demonstrate that 1,3,4-thiadiazole is an attractive moiety and could be utilized as positive hydrogen bond acceptor for excited state intramolecular proton transfer (ESIPT) processes, guider of electrons movement for intramolecular charge transfer (ICT) process and identify group for mental ions. Furthermore, dicyanoisophorone framework was employed to improve the fluorescence characteristics and near-infrared (NIR) fluorescent emission at 695 nm accompanied by a Stoke's shift as large as 260 nm was obtained. L-I could selectively detect Cu2+ over other analytes taking advantages of high sensitivity, fast response within 30 s and low detection limit (0.026 µM). More important, L-I exhibited good performance for detection of Cu2+ in actual water samples, food products, traditional Chinese medicine and for cell imaging which demonstrates practical significance in the fields of environmental monitor, food safety and biotechnology.

Effects of two celery fibers on the structural properties and digestibility of glutinous rice starch: A comparative study.

The present study focused on the extraction of water-soluble dietary fiber (CSDF) and water-insoluble dietary fiber (CIDF) from celery. It investigated their effects on glutinous rice starch's (GRS) physicochemical, structural, and digestive properties. The results showed that as the addition of the two dietary fibers increased, they compounded with GRS to varying degrees, with the complexing index reaching 69.41 % and 60.81 %, respectively. The rheological results indicated that the two dietary fibers reduced the viscosity of GRS during pasting and inhibited the short-term regrowth of starch. The FTIR and XRD results revealed that the two fibers interacted with GRS through hydrogen bonding, effectively inhibiting starch retrogradation. Furthermore, both fibers increased the pasting temperature of GRS, thus delaying its pasting and exhibiting better thermal stability. Regarding digestibility, the starch gels containing dietary fibers exhibited significantly reduced digestibility, with RS significantly increased by 8.15 % and 8.95 %, respectively. This study provides insights into the interaction between two dietary fibers and GRS during processing. It enriches the theoretical model of dietary fiber-starch interaction and provides a reference for the application development of starch-based functional foods.

Effects of starch multiscale structure on the physicochemical properties and digestibility of Radix Cynanchi bungei starch.

Radix Cynanchi bungei (RCb) contains 40-70 % starch, yet little is known about the structure and properties of RCb starch. In this study, the multiscale structure of two cultivars of RCb starch (YW201501 and BW201001) were characterized, and the effects of starch structure on its physicochemical properties were investigated. The differences in physicochemical properties of RCb starch were influenced by its multiscale structure. The starch granules were round and irregular polygon, with sizes ranging between 2 and 14 µm. YW201501 had a higher amylose (21.81 %) and lipid (0.96 %) content, molecular weight (59.5 × 106 g/mol), and A chain proportion (27.5 %), and a lower average granule size (6.14 µm), amylopectin average chain length (19.7), and B3 chain proportion (10.3 %). Both starches were B-type crystalline, with higher crystallinity (26.3 %) and R1047/1022 (0.74) for YW201501, resulting in large gelatinization enthalpy. In addition, the higher peak viscosity and larger retrogradation degree of YW201501 were correlated to its higher amylose content. In vitro digestibility revealed that the low rapidly digestible starch and high resistant starch of BW201001 were related to the fine structure of starch. YW201501 and BW201001 had a medium glycemic index (62.6-66.0) with potential for processing into healthy starchy foods.

Influence pathways of nanocrystalline cellulose on the digestibility of corn starch: Gelatinization, structural properties, and α-amylase activity perspective.

This work focused on the pathways by which NCC regulated the digestibility of corn starch. The addition of NCC changed the viscosity of the starch during pasting, improved the rheological properties and short-range order of the starch gel, and finally formed a compact, ordered, and stable gel structure. In this respect, NCC affected the digestion process by changing the properties of the substrate, which reduced the degree and rate of starch digestion. Moreover, NCC induced changes in the intrinsic fluorescence, secondary conformation, and hydrophobicity of α-amylase, which lowered its activity. Molecular simulation analyses suggested that NCC bonded with amino acid residues (Trp 58, Trp 59, and Tyr 62) at the active site entrance via hydrogen bonding and van der Waals forces. In conclusion, NCC decreased CS digestibility by modifying the gelatinization and structural properties of starch and inhibiting α-amylase activity. This study provides new insights into the mechanisms by which NCC regulates starch digestibility, which could be beneficial for the development of functional foods to tackle type 2 diabetes.

Multiscale structure and precipitation mechanism of debranched starch precipitated by different alcohols.

Alcohol solution is a cheap, simple, and effective precipitating solvent frequently used for separating debranched starch (DBS), yet little is known about the precipitation mechanism of DBS by different alcohols. This study precipitated DBS from pullulanase-hydrolyzed starch using ethanol, n-butanol, and isopentanol. The multiscale structures of DBS were characterized, including chain length, single/double helix, and crystalline. The chain conformation and precipitation mechanism of DBS in different alcohols was investigated using molecular dynamics (MD) simulation. DBS precipitated by n-butanol contained the largest proportion of short chain (DP6-24, 83.2 %), the highest V-type crystallinity (21.1 %), and the largest single-helix content (24.7 %). A single helix conformation of DBS chain was determined in alcohols, where alcohol molecules entered the helix cavity. Intra/inter-molecular hydrogen bonds stabilized the helix, with a large number of hydrogen bonds leading to strong molecular interaction and stable helical structure. The solvent accessible surface area of DBS chain decreased by 7.88-19.32 % in alcohols, and the radial distribution function revealed that the first solvent layer of DBS chain at 0.29 nm was closely related to hydrogen bonding. This study provides a basis for the choice of precipitation solvent for preparing DBS with different chain lengths and physicochemical properties.

Preparation of the starch-lipid complexes by ultrasound treatment: Exploring the interactions using molecular docking.

In this work, Corn Starch (CS)-Lauric acid (LA) complexes prepared by different ultrasound times were explored for multi-scale structure and digestibility. The results showed that the average molecular weight of the CS decreased from 380.478 to 323.989 kDa and the transparency increased to 38.55 % after 30 min of ultrasound treatment. The scanning electron microscope (SEM) results revealed a rough surface and agglomeration of the prepared complexes. The complexing index of the CS-LA complexes increased by 14.03 % compared to the non-ultrasound group. The prepared CS-LA complexes formed a more ordered helical structure and a more dense V-shaped crystal structure through hydrophobic interactions and hydrogen bonding. In addition, fourier transforms infrared spectroscopy and the molecular docking revealed that the hydrogen bonds formed by CS and LA promoted the formation of an ordered structure of the polymer, retarding the diffusion of the enzyme and thus reducing the digestibility of the starch. With correlation analysis, we provided insight into the multi-scale structure-digestibility relationship in the CS-LA complexes, which provided a basis for the relationship between structure and digestibility of lipid-containing starchy foods.

An investigation into structural properties and stability of debranched starch-lycopene inclusion complexes with different branching degrees.

Debranched starch (DBS) has great probability as carrier for bioactive ingredients, but effects of branching degree (DB) on the complex formation of starch remain unclear. This study investigated the potential of DBS with different DB to load lycopene and characterized the structural properties of inclusion complexes. Glutinous rice starch was debranched to get DBS with different molecular weights, where DBS with a branching degree of 11.42 % had the greatest encapsulation efficiency (64.81 %). SEM, particle size, and zeta-potential results showed that the complexes form stable spherical crystals through electrostatic interactions. The structures of complexes were resolved by FTIR, XRD, TGA, and 13C CP/MAS NMR analytical techniques, indicating that lycopene can be loaded on DBS by the self-assembly through hydrophobic and hydrogen bonding interactions. Degradation experiments revealed that retention of complexes was significantly higher than the unencapsulated one. Our study reveals the structural features of the complex between DBS and lycopene, providing theoretical guidance for developing and producing novel nutraceuticals.

Insights into the rheological properties, multi-scale structure and in vitro digestibility changes of starch-ß-glucan complex prepared by ball milling.

High amylose corn starch (HACS)-oat ß-glucan (OBG) complex was prepared by ball milling treatment. The morphology and structure of the samples were characterized, and the digestibility of the samples was studied. SEM analysis showed that the grain structure of oat ß-glucan-starch after ball milling showed an irregular aggregate shape. The rheological results indicated that the apparent viscosity of the solution of HACS-OBG complex prepared by ball milling, with the values of both G' and G″ decreasing on the increase of OBG addition. Multi-scale structure analysis showed that the disorder of the crystal structure and short-range structure of the HACS-OBG complex would lead to the decrease of the double helix structure content. In terms of digestibility, the RDS of the complex decreased from 75.88 % to 66.26 %, which suppressed the digestibility of starch. Molecular docking and quantum chemistry techniques further demonstrated the strong hydrogen bond interaction between HACS and OBG and the inhibition rate of OBG on the enzyme, which was conducive to the slow digestion of HACS-OBG complex. Therefore, ball milling treatment can promote the binding of OBG to starch, which may be an effective method for postprandial blood glucose control.

Formation and molecular dynamics simulation of inclusion complex of large-ring cyclodextrin and 4-terpineol.

In the present study, the formation and structure of the inclusion compound of large-ring cyclodextrin and 4-terpineol were obtained through different experiments and molecular dynamics (MD) simulation. The analysis of FTIR, 1 H-NMR, and thermodynamic results confirmed the formation of clathrates. Analysis of molecular structure (root-mean-square deviation and radius of gyration), solubility, and interaction energy (Coul, H bond) based on MD simulations further clarified the nature of the clathrate and the conformational changes caused by guest molecules as well as inclusion complexes process trends. The inclusion complex reportedly has a new crystal structure with improved thermal stability. PRACTICAL APPLICATION: This is the first work to demonstrate the complex formation between 4-terpineol and large-ring cyclodextrin by molecular dynamics simulation. Molecular dynamics simulation confirmed the formation of inclusion complexes theoretically. Conformational changes of the molecules and the formation of complexes with improved thermal stability were observed. Complexing with large-ring cyclodextrin can be used as an effective means to encapsulate the aroma/flavor compounds.