Discrimination of geographical origin of rice (Oryza sativa L.) by multielement analysis using inductively coupled plasma atomic emission spectroscopy and multivariate analysis

This study aims to determine the authenticity of the geographical origin of rice using inductively coupled plasma atomic emission spectroscopy (ICP-AES) and chemometrics. The profiles of 25 elements in brown rice measured by ICP-AES were subjected to data-mining processes, including principal component analysis (PCA) and partial least-squares discriminant analysis (PLS-DA). PLS-DA clearly discriminated the geographical origin of rice samples grown in three countries. Eleven elements (Cu, Ag, Zn, Cr, Ca, Ba, Cd, Bi, K, Pb, and In) significantly contributed to the ability to discriminate the geographical origin of the rice. These results demonstrate the use of multielement profiling combined with chemometrics as a tool for discriminating food origins. This study extends our knowledge about the applications of both multielement profiling and chemometrics for the determination of food authenticity, and thus can be useful for controlling the geographical origin of rice by governmental administration and protecting consumers from improper domestic labeling.     

Rearrangement of bacterial community structure during peat diagenesis

The relationship between microbial diagenesis of Sphagnum peat (SP) and reed-sedge peat (RSP) and the spatial organization of peat bacterial communities was studied. Peats were aerobically incubated at 18-22 °C for 4 months. Changes in molecular composition of peat organic matter were monitored with solid-state ¹³C NMR, and the respective amount of functional groups was determined by integration of corresponding peaks. No abiotic peat transformation was detected. SP diagenesis caused about a 4% loss of parent materials with a similar yield of ketones, phenols, aromatic, and carbonyl compounds; whereas about 20% of RSP carbohydrates, along with ketones and methoxyl compounds were gradually transformed into carbonyl and aliphatic compounds. SP and RSP substantially varied in bacterial composition. To address spatial community structure, bacterial populations were dissected by a differential elution technique into three fractions based on the degree of their attachment to peat. Community composition was surveyed with T-RFLP (HhaI, MspI, and RsaI). The fragments were further attributed to freely-dispersed (FD), particle-associated (PA), or omnipresent (OMN) bacterial fractions. In both peats, bacterial communities have gradually shifted with the progress of diagenesis. In SP, numbers of exclusively FD or PA bacteria slightly decreased while in RSP their numbers more than doubled after 4-month incubation, and the number of OMN bacteria respectively decreased. The substantially greater changes in the spatial structure of RSP bacterial community compared to SP were consistent with the chemical transformations detected in these peats suggesting the diagenesis-driven divergence of RSP bacterial community into FD and PA sub-communities.     

Residue chemistry and microbial community structure during decomposition of eucalypt, wheat and vetch residues

Previous studies have shown that residue chemistry and microbial community structure change during decomposition, however little is known about the relationship between C-chemistry and microbial community structure. To address this knowledge gap, we studied C-chemistry and microbial community structure during the decomposition of eucalypt, wheat and vetch residues with and without additional inorganic N. Bags containing ground residues of eucalypt, wheat, and vetch were buried in sand microcosms after inoculation with a diverse microbial community. Respiration was measured over an incubation period of 150 days. At different times during incubation, total C and N of the residues were analysed and residue carbon chemistry was determined by ¹³C-NMR (nuclear magnetic resonance) spectroscopy. Microbial communities were assessed by phospholipid fatty acid (PLFA) analyses.Results indicated that during decomposition, residue C-chemistry and microbial community composition changed over time and differed between residue types. Changes in microbial community structure were associated with changes in residue C-chemistry, mainly the relative content of aryl-C and O-alkyl-C. Addition of N increased cumulative respiration, altered C-chemistry during decomposition, particularly in high C/N residues (wheat and eucalypt), and changed microbial succession leading to an earlier establishment of a stable microbial community structure. N addition to eucalypt and wheat reduced the decomposition of aryl-C compounds.     

Phospholipid compositions of sera and synovial fluids from dog, human and horse: a comparison by 31P-NMR and MALDI-TOF MS

Alterations of the phospholipid (PL) compositions of body fluids are assumed to be indicative of inflammatory diseases, e.g. rheumatoid arthritis (RA). Recently, we have shown that particularly the phosphatidylcholine/lysophosphatidylcholine (PC/LPC) ratio determined in human synovial fluids (SF) and sera represents a reliable measure of the inflammatory state in RA patients. However, it is not yet clear to what extent the PC/LPC ratio is also affected by nutrition habits. In the present study, the PL and the corresponding acyl chain compositions of human body fluids (SF and serum of RA patients as well as serum from healthy volunteers) are compared with those of two other mammalian species (horses and dogs suffering from degenerative joint diseases as well as healthy controls) by high-resolution 31P-nuclear magnetic resonance (NMR) spectroscopy and matrix-assisted laser desorption and ionization time-of-flight mass spectrometry (MALDI-TOF MS). The most important result of this study is that the PL compositions of SF and serum of horse and dog are comparable with those of human body fluids. Compared with humans, however, the horse body fluid contains less PCs with highly unsaturated arachidonoyl residues, while that of dogs possesses the highest content of arachidonoyl-containing PC. These species-related differences stem primarily from different nutrition habits (meat vs. plants).     

Structure and properties of the cellulose microfibril

The current structural models of the cellulose microfibril as well as its mechanical and thermal properties are reviewed. The cellulose microfibril can be considered as a single thin and long crystalline entity with highly anisotropic physical properties. The contribution and limit of different methods employed such as electron microscopy, infrared spectroscopy, X-ray scattering and diffraction, solid state nuclear magnetic resonance spectroscopy, and molecular modeling are also discussed.     

球磨杠柳木质素化学结构特性

对球磨的杠柳(Periploca sepium)采用含有0.05mol/L HCl的80%液体二氧六环在85℃处理4h、二甲基亚砜在85℃处理4h,以及8% NaOH在50℃处理3h,得到86%的原本木质素.采用FTIR、UV、液态1H和13C-NMR研究了酸性二氧六环、二甲基亚砜和碱溶性木质素组分的结构特征.结果表明:温和条件下,球磨与酸水解对分离的木质素大分子结构破坏不大.其中,温和酸水解使半纤维素和木质素之间醚键发生显著断裂,并使半纤维素发生部分降解.由于酸性二氧六环溶解的木质素主要来自初生壁,而碱溶性木质素主要来自次生壁,导致酸性二氧六环溶解的木质素与二甲基亚砜和碱溶性木质素结构不同.     

Microwave-enhanced alkali treatment of Pinus yunnanensis: Physiochemical characterization of the dissolved lignins

Pinus yunnanensis was subjected to water-bath and microwave treatments in 1% NaOH aqueous solutions at 100 °C with various ratios of bath heating time to microwave heating time (0/120, 20/100, 40/80, 60/60, 80/40, 100/20 and 120/0 min). The lignins dissolved in the alkali liquors were separated and purified, and their physicochemical features were comparatively characterized by sugar analysis, GPC, FT-IR, ¹³C and HSQC NMR, as well as thermogravimetric analysis (TGA). The results showed that the lignin fractions extracted with microwave heating (20-120 min) had high molecular weights and polydispersities (M_w 3150-5710 g/mol, M_n 2130-3020 g/mol, M_w/M_n 1.48-2.00) as compared to those prepared without microwave heating (M_w 3080 g/mol, M_n 2080 g/mol, M_w/M_n 1.48). The most striking characteristic of all lignin fractions was the almost absence of associated sugars (0.16-3.25%). The TGA results indicated that the thermal stability of the lignin fraction increased with the increment of the molecular weight. FT-IR and NMR spectra suggested that the lignin fractions showed similar structures which were mainly composed of guaiacyl (G) and minor amounts of p-hydroxyphenyl (H) units. Moreover, HSQC NMR spectrum of a typical lignin fraction (prepared with microwave heating for 120 min) revealed that it contained dominant amounts of β-O-4′ linkages (64.6%) and phenylcoumaran (β-5′) substructures (25.8%) together with small amounts of resinol (β-β′) substructures (6.7%) and coniferyl alcohol end groups (2.9%).     

Pretreatment of partially delignified hybrid poplar for biofuels production: Characterization of organosolv hemicelluloses

In this study, extraction of hemicelluloses from the carbohydrate-enriched residues was successfully carried out with organic solvent and the residue was used for bio-based energy production. The chemical composition and physico-chemical properties of six hemicelluloses released were elucidated by a combination of sugar analysis, molecular determination, Fourier transform infrared, and ¹H, ¹³C and 2D-HSQC NMR spectroscopy. The results showed that the successful treatments resulted in a fractionation of the native hemicelluloses. The sugar analysis indicated that xylose (47.14-56.91%) was found to be the major sugar components and small amounts of glucose (14.1-19.06%) and mannose (12.41-18.09%) were also observed in these hemicellulosic fractions. Further studies by NMR spectroscopy exhibited that the acetylated hemicellulosic fraction had a main structure of (1 → 4)-linked β-d-xylopyranosyl backbone with 4-O-methyl-α-d-glucuronic acid as a side chain and a minor structure of linear β-(1 → 4)-linked glucomannans. Furthermore, these hemicelluloses possessed a low substituted degree which was beneficial for enzymatic saccharification.     

天然产物中木栓烷型三萜核磁共振波谱特征

对天然产物中发现的木栓烷型三萜化合物的¹³C-NMR、¹H-NMR谱学特征进行综述,以期减少天然产物特别是木栓烷型三萜结构鉴定工作的盲目性和重复性,为进一步研究分析木栓烷型三萜提供经验借鉴。     

茯苓硫酸酯化多糖的制备及其核磁共振波谱分析

[目的]用不同方法制备3种茯苓多糖硫酸酯（Pachyman sulfate,PS）,并对其进行核磁共振波谱对比分析,为多糖硫酸化提供基础数据。[方法]以氯磺酸为磺化试剂硫酸化茯苓多糖制备茯苓多糖硫酸酯PS—I和PSII,以氨基磺酸为磺化试剂制备PS-Ⅲ,分析磺化反应前后和不同硫酸根取代度（Degree of sulfation,DS）的多糖碳原子化学位移的变化规律。[结果]PS—I（DS=2．80）分子所有自由羟基均发生取代反应;PS—H（DS=1．55）C-6羟基被全部酯化,C-2和C-4羟基发生部分酯化反应;PS-Ⅲ（DS=0．95）C-6和C-2羟基发生部分硫酸酯化反应。[结论]发生取代反应的碳原子化学位移移动的距离与PS的DS呈正相关,核磁共振技术能够提供多糖结构解析的关键数据。