Molecular simulations of the effects of substitutions on the dissolution properties of amorphous cellulose acetate.

The dissolution behavior of cellulose acetate (CA) is an extremely important property in its extensive applications and preparation of derivatives. In this paper, we proposed a molecular model building strategy to construct amorphous CA with various substituent distributions (different degrees of substitution and substitution positions). A protocol combing molecular dynamics simulation and density functional theory (DFT) was applied to systematically investigate the dissolution behavior of CAs, and the structural properties of CAs. The reduced cohesive energy and polarity of CAs caused by the increase in substituents would enhance its solubility. The interaction of solvent molecules and CAs and the diffusion of solvent molecules in CAs have a synergistic effect on the dissolution of CAs. The diffusion coefficient is the primary factor affecting the solubility. Moreover, substituents at different positions of the anhydroglucose units along the CAs chains would produce different steric hindrance effects, which in turn affect the dissolution behavior.

Composition and potential as a prebiotic functional food of a Giant Willow Aphid (Tuberolachnus salignus) honeydew honey produced in New Zealand.

The Giant Willow Aphid (Tuberolachnus salignus, GWA) is an invasive pest insect in New Zealand, which excretes honeydew. European honeybees collect this honeydew and make it into a type of honey that crystallizes in the comb, representing a significant loss to apiarists. This crystallization has been ascribed to high concentrations of oligosaccharides, particularly melezitose. In this research, the first carbohydrate profile of GWA honeydew honey, a sample of GWA honeydew honey was found to contain 37.8% total oligosaccharides of which 27.4% was melezitose, and 2.5% gluconic acid (higher than typical honeydew honeys); 41.2% monosaccharides (lower than typical honeydew honeys); and 0.054% salicylic acid (higher than previous estimates). Melezitose extracted from GWA honeydew honey was not significantly hydrolyzed in crude human-stomach and human-small-intestine simulations and may therefore meet the prebiotic criterion of human indigestibility.

Hydration characteristics, structural effects and the taste quality of some polyhydroxy compounds in aqueous solutions of nicotinic acid (vitamin B3) at (288.15-318.15) K.

Physicochemical properties elucidating the hydration characteristics and structural effects of polyhydroxy compounds in mixed aqueous solutions offer significant information for the growth of pharmaceutical and food industries. Consequently, standard partial molar volumes and isentropic compressibilities at infinite dilution of saccharides, their derivatives and sugar alcohols in (0.01, 0.05, 0.09 and 0.13) mol kg-1 nicotinic acid(aq) (vitamin B3) solutions have been investigated by experimental density and ultrasonic velocity with respect to temperature. Their transfer values, compressibility hydration numbers, apparent massic volumes and isentropic compressibilities have also been determined. These parameters are important to study the taste behavior of polyhydroxy compounds and intermolecular interactions occurring in ternary mixtures. UV absorption spectra of the studied polyhydroxy compounds have been recorded in 1 × 10-4 mol kg-1 nicotinic acid(aq) solutions. The comparison of present results has been made with the studies reported earlier in l-ascorbic acid, thiamine HCl and pyridoxine HCl.

Phenotypic and genotypic diversity of Lactobacillus buchneri strains isolated from spoiled, fermented cucumber.

Lactobacillus buchneri is a Gram-positive, obligate heterofermentative, facultative anaerobe commonly affiliated with spoilage of food products. Notably, L. buchneri is able to metabolize lactic acid into acetic acid and 1,2-propanediol. Although beneficial to the silage industry, this metabolic capability is detrimental to preservation of cucumbers by fermentation. The objective of this study was to characterize isolates of L. buchneri purified from both industrial and experimental fermented cucumber after the onset of secondary fermentation. Genotypic and phenotypic characterization included 16S rRNA sequencing, DiversiLab® rep-PCR, colony morphology, API 50 CH carbohydrate analysis, and ability to degrade lactic acid in modified MRS and fermented cucumber media. Distinct groups of isolates were identified with differing colony morphologies that varied in color (translucent white to opaque yellow), diameter (1 mm-11 mm), and shape (umbonate, flat, circular or irregular). Growth rates in MRS revealed strain differences, and a wide spectrum of carbon source utilization was observed. Some strains were able to ferment as many as 21 of 49 tested carbon sources, including inulin, fucose, gentiobiose, lactose, mannitol, potassium ketogluconate, saccharose, raffinose, galactose, and xylose, while others metabolized as few as eight carbohydrates as the sole source of carbon. All isolates degraded lactic acid in both fermented cucumber medium and modified MRS, but exhibited differences in the rate and extent of lactate degradation. Isolates clustered into eight distinct groups based on rep-PCR fingerprints with 20 of 36 of the isolates exhibiting >97% similarity. Although isolated from similar environmental niches, significant phenotypic and genotypic diversity was found among the L. buchneri cultures. A collection of unique L. buchneri strains was identified and characterized, providing the basis for further analysis of metabolic and genomic capabilities of this species to enable control of lactic acid degradation in fermented plant materials.

Solvation behavior and sweetness response of carbohydrates, their derivatives and sugar alcohols in thiamine HCl (vitamin B1) and pyridoxine HCl (vitamin B6) at different temperatures.

Volumetric properties are important tools to study the solvation behavior of solutes and reveal valuable information about solute-solute/cosolute interactions. Therefore, standard partial molar volumes at infinite dilution have been calculated from density measurements for monosaccharides, their methoxy and deoxy derivatives, disaccharides and sugar alcohols in (0.05, 0.15, 0.25 and 0.35)molkg-1 thiamine HCl(aq) and pyridoxine HCl(aq) solutions over temperature range (288.15-318.15)K at pressure, p=0.1MPa. The corresponding transfer volumes, expansibilities and apparent massic volumes have been evaluated to examine the solvation behavior and the basic taste quality of studied solutes. UV-Vis absorption study of these solutes has also been carried out in 1.0×10-4molkg-1 thiamine HCl and pyridoxine HCl solutions. Results have been compared with our previously reported studies carried out in l-ascorbic acid (vitamin C). Stereochemical effects on hydration controlled by dominant conformations of studied solutes have also been discussed.

Cellulose oligomers production and separation for the synthesis of new fully bio-based amphiphilic compounds.

Cellulose oligomers are water-soluble, on the contrary to cellulose, which greatly increase their application range. In this study, cellulose oligomers were obtained from the acidic hydrolysis of cellulose with phosphoric acid. The global yield in water-soluble oligomers was around 23% with polymerization degree (DP) ranging from 1 to 12. The cellulose oligomers DP distribution was successfully reduced by differential solubilisation in methanol as one of the goals of this work was to avoid the use of a time-consuming full chromatographic separation. The methanol-soluble oligomers were mainly low DP (≤3). The oligomers of higher molar mass, composed of 42% of cellotetraose and 36% of cellopentaose, were then functionalized and coupled with stearic acid through azide-alkyne click chemistry to obtain amphiphilic compounds. The self-assembly of these new bio-based compounds was finally investigated by dynamic light scattering (DLS) and transmission electron microscopy (TEM) and their critical micellar concentration (CMC) was found to be in the same range as alkylmaltosides and alkylglucosides.