Inflammation-associated D-dimer predicts neurological outcome of recent small subcortical infarct: A prospective clinical and laboratory study.

OBJECTIVE: Elevated level of D-Dimer often indicates a worse prognosis in cerebral infarction. However, there is limited research on this impact within recent small subcortical infarction (RSSI). We aim to explore the role of inflammation and the total magnetic resonance imaging (MRI) burden of cerebral small vessel disease (cSVD) in this process. METHODS: 384 RSSI patients and 189 matched healthy controls were strictly registered in the current research. We evaluated short-term and long-term outcomes by measuring the percentage of the National Institutes of Health Stroke Scale (NIHSS) improvement and the modified Rankin Scale (mRS) at 3 months, respectively. We also assessed the chronic, sustained brain damage associated with cSVD using the total MRI burden and confirmed the relationship between prognosis and the total MRI burden of cSVD. Furthermore, we explored the associations between D-dimer and C-reactive protein (CRP) levels with NIHSS improvement and mRS at 3 months, as well as their relationships with both the total MRI burden of cSVD and its 4 imaging features. RESULTS: Both NIHSS improvement and the mRS at 3 months were found to be correlated with the total MRI burden of cSVD. Higher D-dimer and CRP levels showed a linear correlation, indicating worse prognosis and a higher total MRI burden of cSVD. The four imaging features of the total MRI burden of cSVD did not exhibit entirely consistent patterns when exploring their correlations with prognosis and laboratory indicators. CONCLUSION: Inflammation-associated D-dimer predicts neurological outcomes in patients with recent small subcortical infarct, and reflects a more severe total MRI burden of cSVD.

Characterization of key odor-active compounds in Chinese Dornfelder wine and its regional variations by application of molecular sensory science approaches.

In this study, aroma characteristics and odor-active compounds in Dornfelder wines from three main production regions of China were comprehensively investigated for the first time. The leading features of Chinese Dornfelder wines were black fruit, violet, acacia/lilac, red fruit, spice, dried plum, honey, and hay based on check-all-that-apply. Wines from the Northern Foothills of Tianshan Mountains and Eastern Foothills of Helan Mountains were dominated by floral and fruity aromas, while wines from the Jiaodong Peninsula were characterized by mushroom/earth, hay, and medicinal material notes. Aroma profiles of Dornfelder wines in three regions were successfully reconstructed with 61 volatiles determined by AEDA-GC-O/MS and OAV. Through aroma reconstitution, omission tests, and descriptive analysis, terpenoids could be regarded as varietal characteristic compounds directly contributing to floral perception in Dornfelder wines. Guaiacol, eugenol, and isoeugenol were further revealed to have a synergistic effect with linalool and geraniol on violet, acacia/lilac, spice, and black fruit.

Maillard reaction between oligopeptides and reducing sugar at body temperature: The putative anti-glycation agents.

Type 2 Diabetes mellitus (T2DM) is one of the most common chronic multifactorial diseases, which is associated with the increased concentration of glucose in the blood. Therefore, the utilization of blood lowering agents is clearly a promising approach which can lead to a suppression of the evaluated blood glucose, and thus curing T2DM and other complication. In this study, we evaluated the glucose lowering effect of a varieties of amino acids (alanine and histidine), dipeptides (carnosine and α-alanine-L-histidine), and tripeptide (glutathione) by reacting with glucose, fructose, and sucrose under 37°C and pH 7.4 to mimic their reaction in physiological condition. By measuring the reduction of reactants and the formation of Maillard reaction products over the course of 21 days' storage, we found that the glucose lowering effect of carnosine was better than the counterparts. The histidine residue in carnosine may contribute to its glucose lowing effect while ß-amino acid ß-alanine residue could facilitate the glucose lowering effect of carnosine by maintaining its chemical stability during the storage. These results may open up new avenues for the applications of bioactive peptide carnosine as a natural blood sugar lowering agent to control T2DM.

Universal machine learning framework for defect predictions in zinc blende semiconductors.

We develop a framework powered by machine learning (ML) and high-throughput density functional theory (DFT) computations for the prediction and screening of functional impurities in groups IV, III-V, and II-VI zinc blende semiconductors. Elements spanning the length and breadth of the periodic table are considered as impurity atoms at the cation, anion, or interstitial sites in supercells of 34 candidate semiconductors, leading to a chemical space of approximately 12,000 points, 10% of which are used to generate a DFT dataset of charge dependent defect formation energies. Descriptors based on tabulated elemental properties, defect coordination environment, and relevant semiconductor properties are used to train ML regression models for the DFT computed neutral state formation energies and charge transition levels of impurities. Optimized kernel ridge, Gaussian process, random forest, and neural network regression models are applied to screen impurities with lower formation energy than dominant native defects in all compounds.

Hormone analysis and candidate genes identification associated with seed size in Camellia oleifera.

Camellia oleifera is an important woody oil species in China. Its seed oil has been widely used as a cooking oil. Seed size is a crucial factor influencing the yield of seed oil. In this study, the horizontal diameter, vertical diameter and volume of C. oleifera seeds showed a rapid growth tendency from 235 days after pollination (DAP) to 258 DAP but had a slight increase at seed maturity. During seed development, the expression of genes related to cell proliferation and expansion differ greatly. Auxin plays an important role in C. oleifera seeds; YUC4 and IAA17 were significantly downregulated. Weighted gene co-expression network analysis screened 21 hub transcription factors for C. oleifera seed horizontal diameter, vertical diameter and volume. Among them, SPL4 was significantly decreased and associated with all these three traits, while ABI4 and YAB1 were significantly increased and associated with horizontal diameter of C. oleifera seeds. Additionally, KLU significantly decreased (2040-fold). Collectively, our data advances the knowledge of factors related to seed size and provides a theoretical basis for improving the yield of C. oleifera seeds.

Chromosome-level genome of Camellia lanceoleosa provides a valuable resource for understanding genome evolution and self-incompatibility.

The section Oleifera (Theaceae) has attracted attention for the high levels of unsaturated fatty acids found in its seeds. Here, we report the chromosome-scale genome of the sect. Oleifera using diploid wild Camellia lanceoleosa with a final size of 3.00 Gb and an N50 scaffold size of 186.43 Mb. Repetitive sequences accounted for 80.63% and were distributed unevenly across the genome. Camellia lanceoleosa underwent a whole-genome duplication event approximately 65 million years ago (65 Mya), prior to the divergence of C. lanceoleosa and Camellia sinensis (approx. 6-7 Mya). Syntenic comparisons of these two species elucidated the genomic rearrangement, appearing to be driven in part by the activity of transposable elements. The expanded and positively selected genes in C. lanceoleosa were significantly enriched in oil biosynthesis, and the expansion of homomeric acetyl-coenzyme A carboxylase (ACCase) genes and the seed-biased expression of genes encoding heteromeric ACCase, diacylglycerol acyltransferase, glyceraldehyde-3-phosphate dehydrogenase and stearoyl-ACP desaturase could be of primary importance for the high oil and oleic acid content found in C. lanceoleosa. Theanine and catechins were present in the leaves of C. lanceoleosa. However, caffeine can not be dectected in the leaves but was abundant in the seeds and roots. The functional and transcriptional divergence of genes encoding SAM-dependent N-methyltransferases may be associated with caffeine accumulation and distribution. Gene expression profiles, structural composition and chromosomal location suggest that the late-acting self-incompatibility of C. lanceoleosa is likely to have favoured a novel mechanism co-occurring with gametophytic self-incompatibility. This study provides valuable resources for quantitative and qualitative improvements and genome assembly of polyploid plants in sect. Oleifera.

Aromatic characterization of traditional Chinese wine Msalais by partial least-square regression analysis based on sensory quantitative descriptive and odor active values, aroma extract dilution analysis, and aroma recombination and omission tests.

Msalais is produced from local grape juice in southern Xinjiang (China), by concentration and natural fermentation. In the current study, we combined partial least-square regression analysis based on sensory quantitative descriptive and odor active values (OAVs), aroma extract dilution analysis, and aroma recombination and omission tests to delineate the unique aromatic characteristics of traditional Msalais. Msalais has strong dried fruit, fruit jam, and fruity odors, intermediate-strength caramel and baked odors, and weak floral and herbaceous odors, attributed to 24 key aromatic compounds with OAV ≥1 or flavor dilution ≥4. Furaneol, methionol, and 5-methylfurfural greatly contribute to the dried fruit, fruit jam, and caramel odors, respectively. ß-Phenylethyl alcohol mostly contributes to fruit jam odor. ß -Damascenone has a complicated effect on dried fruit, fruit jam, and floral odors. Fruity esters contribute to fruity odor. Floral odor is attributed to terpenes. These findings allow precise improvement of the variable quality of traditional Msalais.

Characterization of free and glycosidically bound volatile compounds, fatty acids, and amino acids in Vitis davidii Foex grape species native to China.

Berries of six Vitis davidii Foex (spine grape) cultivars ('Baiputao', 'Gaoshan 1', 'Gaoshan 2', 'Seputao', 'Miputao', and 'Tianputao') were harvested from a commercial vineyard in Hunan Province in China. Free and bound volatile compounds and fatty acids were analyzed by GC-MS, and amino acids were analyzed by HPLC. 'Tianputao' and 'Miputao' were characterized by relatively higher concentrations of aromatic amino acids and lower concentrations of branched-chain amino acids. The major free volatile compounds of spine grapes were hexanal, (E)-2-hexenal, 1-hexanol, (E)-2-hexenol, (E)-ß-damascenone, and benzeneacetaldehyde. The major glycosidically bound volatile compounds identified were 1-hexanol, menthol, nerol, 1-butanol, 3-methyl-3-butenol, benzenemethanol, ß-phenylethanol, eugenol, and guaiacol. (E)-ß-damascenone, benzeneacetaldehyde, guaiacol, and eugenol had odor activity values (OAVs) > 1 in all cultivar grapes. Partial least squares discriminant analysis (PLS-DA) revealed 'Tianputao' to be distinct from the other cultivars due to its relatively higher concentrations of major terpenoids, norisoprenoids, higher alcohols, and aromatic amino acids.

Characterization of odor-active compounds in the head, heart, and tail fractions of freshly distilled spirit from Spine grape (Vitis davidii Foex) wine by gas chromatography-olfactometry and gas chromatography-mass spectrometry.

Differences in key odor-active volatile compounds among the head, heart, and tail fractions of freshly distilled spirits from Spine grape (Vitis davidii Foex) wine were identified for the first time by gas chromatography-olfactometry and gas chromatography-mass spectrometry. Results from aroma extract dilution analysis (AEDA) showed that there were 34, 45, and 37 odor-active compounds in the head, heart and tail fractions, respectively. Besides, 20, 22, and 17 quantified compounds, respectively, showed odor activity values (OAVs) > 1. The head fraction was characterized by fruity, fusel/solvent notes owing to higher concentrations of higher alcohols and esters, while the tail fraction had more intense smoky/animal, sweaty/fatty attributes due to higher concentrations of volatile phenols and fatty acids. Finally, the heart fraction was characterized by ethyl octanoate, ethyl hexanoate, ethyl 3-phenylpropanoate, ethyl cinnamate, isoamyl alcohol, guaiacol, 4-ethylguaiacol, 4-vinylguaiacol, 2,3-butanedione, and (E)-ß-damascenone. Furthermore, observation of the distillation progress indicated that different volatiles with various boiling points and solubilities followed diverse distillation patterns: concentrations of most esters, higher alcohols, terpenes and C13-norisoprenoids decreased, while concentrations of volatile phenols, fatty acids and some aromatic compounds increased during distillation. As a result, their final concentrations in the three distillate fractions varied significantly.

Characterization and differentiation of key odor-active compounds of 'Beibinghong' icewine and dry wine by gas chromatography-olfactometry and aroma reconstitution.

Freezing-thawing events contribute to the unique aroma profile of icewines. Differences in key odor-active volatile compounds between 'Beibinghong' (Vitis amurensis × V. vinifera) icewines and dry wines were investigated by gas chromatography-olfactometry and gas chromatography-mass spectrometry. Acceptable agreement between the olfactometric and quantitative results was obtained. 'Beibinghong' icewine was characterized by high concentrations of volatile phenols, lactones, (E)-ß-damascenone, and phenylacetaldehyde, which were associated with on-vine freezing-thawing events in grape. Low concentrations of higher alcohol acetates and ethyl esters of fatty acids were attributed to hyperosmotic stress during fermentation. The overall aroma of icewine could be mimicked by reconstitution containing 44 identified volatiles. Partial least squares regression analysis demonstrated that the concentrations of these volatile compounds determined the distinct sensory profiles of icewines, which have higher intensities of honey/sweet, smoky, caramel, dried fruit, apricot/peach, and floral aromas, and lower intensities of fresh fruity and herbaceous notes in comparison with dry wines.

Changes in monosaccharides, organic acids and amino acids during Cabernet Sauvignon wine ageing based on a simultaneous analysis using gas chromatography-mass spectrometry.

BACKGROUND: Monosaccharides, organic acids and amino acids are the important flavour-related components in wines. The aim of this article is to develop and validate a method that could simultaneously analyse these compounds in wine based on silylation derivatisation and gas chromatography-mass spectrometry (GC-MS), and apply this method to the investigation of the changes of these compounds and speculate upon their related influences on Cabernet Sauvignon wine flavour during wine ageing. This work presented a new approach for wine analysis and provided more information concerning red wine ageing. RESULTS: This method could simultaneously quantitatively analyse 2 monosaccharides, 8 organic acids and 13 amino acids in wine. A validation experiment showed good linearity, sensitivity, reproducibility and recovery. Multiple derivatives of five amino acids have been found but their effects on quantitative analysis were negligible, except for methionine. The evolution pattern of each category was different, and we speculated that the corresponding mechanisms involving microorganism activities, physical interactions and chemical reactions had a great correlation with red wine flavours during ageing. CONCLUSION: Simultaneously quantitative analysis of monosaccharides, organic acids and amino acids in wine was feasible and reliable and this method has extensive application prospects. © 2017 Society of Chemical Industry.

Striking changes in volatile profiles at sub-zero temperatures during over-ripening of 'Beibinghong' grapes in Northeastern China.

The evolution of free and glycosidically bound volatile compounds in 'Beibinghong' (Vitis vinifera×Vitis amurensis) grape berries throughout on-vine over-ripening and freezing processes was studied in two vintages. The aroma profiles of 'Beibinghong' icewine berries were characterized by C6 compounds, higher alcohols and terpenoids in free fractions and carbonyl compounds, higher alcohols, C6 alcohols and terpenoids in bound fractions. With regard to free volatile compounds, there was a decrease in the concentration of C6 compounds, terpenols and norisoprenoids and an increase of terpene oxides during over-ripening process. A striking alteration of volatile profile occurred at sub-zero temperatures, particularly for the free fractions such as C6 alcohols, higher alcohols and oxidative terpene derivatives. These changes were attributed to a series of reactions (biotransformation, oxidation and anaerobic metabolism) induced by water loss and especially freeze-thaw cycles. PCA revealed temperature and rainfall affected the accumulation of volatile compounds during over-ripening processes.