scholarly journals Compositional Differences and Similarities between Typical Chinese Baijiu and Western Liquor as Revealed by Mass Spectrometry-Based Metabolomics

Metabolites ◽  
2018 ◽  
Vol 9 (1) ◽  
pp. 2 ◽  
Author(s):  
Cheng Fang ◽  
Hai Du ◽  
Wei Jia ◽  
Yan Xu
Keyword(s):  
Mass Spectrometry ◽  
Complex Mixture ◽  
Principal Component ◽  
Ethyl Esters ◽  
Alcoholic Beverages ◽  
Chemical Components ◽  
Potential Marker ◽  
Marker Compounds ◽  
Discrimination Factors ◽  
Different Cultures

Distilled liquors are important products, both culturally and economically. Chemically, as a complex mixture, distilled liquor comprises various chemical compounds in addition to ethanol. However, the chemical components of distilled liquors are still insufficiently understood and compositional differences and similarities of distilled liquors from different cultures have never been compared. For the first time, both volatile organic compounds (VOCs) and non-VOCs in distilled liquors were profiled using mass spectrometry-based metabolomic approaches. A total of 879 VOCs and 268 non-VOCs were detected in 24 distilled liquors including six typical Chinese baijiu and 18 typical Western liquors. Principal component analysis and a correlation network revealed important insights into the compositional differences and similarities of the distilled liquors that were assessed. Ethyl esters, a few benzene derivatives, and alcohols were shared by most distilled liquors assessed, suggesting their important contribution to the common flavor and mouthfeel of distilled liquors. Sugars and esters formed by fatty alcohol differ significantly between the assessed Chinese baijiu and Western liquors, and are potential marker compounds that could be used for their discrimination. Factors contributing to the differences in chemical composition are proposed. Our results improve our understanding of the chemical components of distilled liquors, which may contribute to more rigorous quality control of alcoholic beverages.

Differences in Chemical Component and Anticancer Activity of Green and Ripe Forsythiae Fructus

2017 ◽  
Vol 45 (07) ◽  
pp. 1513-1536 ◽  
Author(s):  
Jiaolin Bao ◽  
Ren-Bo Ding ◽  
Yeer Liang ◽  
Fang Liu ◽  
Kai Wang ◽  
...  
Keyword(s):  
Anticancer Activity ◽  
Principal Component ◽  
Chemical Compounds ◽  
Clinical Applications ◽  
Chemical Components ◽  
Aqueous Extracts ◽  
Clear Separation ◽  
Marker Compounds

Forsythiae Fructus, Lianqiao in Chinese, is one of the most fundamental herbs in Traditional Chinese Medicine. Both green Forsythia (GF) and ripe Forsythia (RF) are referred to Forsythiae Fructus in medicinal applications. In most cases, they are used without distinction. In this study, a metabolomics approach was performed to compare componential differences of two Forsythiae Fructus aqueous extracts subtypes. Principal component analysis (PCA) score plots from the UPLC-MS data showed clear separation between the two subtypes, indicating there are significant differences in the chemical components between GF and RF. Meanwhile, the anticancer activity of them was also compared. GF exhibited much stronger antitumor activity than RF against B16-F10 murine melanoma both in vitro and in vivo. 15 chemical compounds were identified as specific markers for distinguishing GF and RF. Among these marker compounds, forsythoside I, forsythoside A, forsythoside E and pinoresinol were demonstrated to be key important active compounds that account for the different anticancer efficacies of GF and RF. Our data suggest that GF and RF should be distinctively used in clinical applications, particularly in the anticancer formulas, in which GF should be preferentially prescribed.

scholarly journals Screening of the Honey Aroma as a Potential Essence for the Aromachology

2021 ◽  
Vol 11 (17) ◽  
pp. 8177
Author(s):  
Jana Štefániková ◽  
Patrícia Martišová ◽  
Marek Šnirc ◽  
Peter Šedík ◽  
Vladimír Vietoris
Keyword(s):  
Principal Component ◽  
Ethyl Esters ◽  
Analysis Model ◽  
Principal Component Analysis Model ◽  
Qualitative And Quantitative ◽  
Acacia Honey ◽  
Linalool Oxide ◽  
Marker Compounds ◽  
Quantitative Screening ◽  
Potential Use

The aim of the study was to determine the aroma profiles of four kinds of Slovak honey (sunflower, honeydew, acacia, and linden) by a qualitative and quantitative screening of their volatile compounds and by gas chromatography for the potential use in the aromachology and the business sphere. The results showed that several unique volatiles were identified in one kind of honey, while they were not identified in the remaining ones. The acacia honey had the unique volatile linalool oxide (1.13–3.9%); linden honey had the unique volatiles nerol oxide (0.6–1.6%), ethyl esters (0.41–8.78%), lilac aldehyde D (6.6%), and acetophenone (0.37%). The honeydew honey had the unique volatiles santene (0.28%) and cyclofenchene (0.59–1.39%), whereas 2-bornene (0.43–0.81%) was typical for sunflower honey. While linden honey was characterized by fruity ethyl esters, honeydew honey had more monoterpenoid compounds. In the principal component analysis model, the four kinds of honey could not be differentiated by aroma volatiles. However, it was possible to classify the linden and sunflower honey using the LDA. In conclusion, the current study provided experimental evidence that the marker compounds from different kinds of honey might be promising candidates for production of inhaling aromas.

Effects of Saccharomyces Cerevisiae Strains on Chemical Profiles of Cabernet Sauvignon Wines: Based on the Combined Results of 1H NMR, HS-SPME/GC-MS and HPLC-DAD-ESI-MS/MS

2018 ◽  
Vol 18 (2) ◽  
pp. 115-131
Author(s):  
Liang Heng-Yu ◽  
Su Ning ◽  
Guo Kun ◽  
Wang Yuan ◽  
Yang De-Yu
Keyword(s):  
Saccharomyces Cerevisiae ◽  
Principal Component ◽  
Grape Juice ◽  
Pilot Scale ◽  
Ethyl Esters ◽  
Cabernet Sauvignon ◽  
Esi Ms ◽  
H Nmr ◽  
Chemical Profiles ◽  
Indigenous Yeasts

Five Saccharomyces cerevisiae strains (Chinese indigenous yeasts SC5, WC5, SC8, CC17 and commercial starter F15) were inoculated into Cabernet sauvignon grape must and fermented at pilot scale. For the first time, combination of 1H NMR, HS-SPME/GC-MS and HPLC-DAD-ESI-MS/MS metabonomic profiling techniques was performed to analyze the global chemical fingerprints of sampled wines at the end of alcoholic and malolactic fermentation respectively, then 13 non-volatile flavor compounds, 52 volatile organic aromas and 43 polyphenolic molecules were identified and determined correspondently. All principal component analysis (PCA) of two fermentation stages based on the analytical results of 1H NMR, HS-SPME/GC-MS and HPLC-DAD-ESI-MS/MS divided these strains into three clusters: (1) SC5 and SC8, (2) WC5 and F15 and (3) CC17. The wine fermented by indigenous yeast, CC17, showed a very unique chemical profile, such as low pH and high color intensity, reduced amino acids (including proline) and the lowest total higher alcohols levels, most of the fixed acids, glycerol, ethyl esters and anthocyanins concentrations. The statistical results indicate that CC17 strain possesses very special anabolism and catabolism abilities on such substances in grape juice and has potentiality to produce characteristic wines with high qualities.

scholarly journals Discovery of Spatial Peptide Signatures for Neuroblastoma Risk Assessment by MALDI Mass Spectrometry Imaging

Cancers ◽  
2021 ◽  
Vol 13 (13) ◽  
pp. 3184
Author(s):  
Zhiyang Wu ◽  
Patrick Hundsdoerfer ◽  
Johannes H. Schulte ◽  
Kathy Astrahantseff ◽  
Senguel Boral ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Risk Assessment ◽  
Mass Spectrometry Imaging ◽  
Principal Component ◽  
Therapy Resistance ◽  
Risk Classification ◽  
Intratumor Heterogeneity ◽  
Ionization Mass ◽  
Characteristic Analysis ◽  
Analytical Strategy

Risk classification plays a crucial role in clinical management and therapy decisions in children with neuroblastoma. Risk assessment is currently based on patient criteria and molecular factors in single tumor biopsies at diagnosis. Growing evidence of extensive neuroblastoma intratumor heterogeneity drives the need for novel diagnostics to assess molecular profiles more comprehensively in spatial resolution to better predict risk for tumor progression and therapy resistance. We present a pilot study investigating the feasibility and potential of matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI) to identify spatial peptide heterogeneity in neuroblastoma tissues of divergent current risk classification: high versus low/intermediate risk. Univariate (receiver operating characteristic analysis) and multivariate (segmentation, principal component analysis) statistical strategies identified spatially discriminative risk-associated MALDI-based peptide signatures. The AHNAK nucleoprotein and collapsin response mediator protein 1 (CRMP1) were identified as proteins associated with these peptide signatures, and their differential expression in the neuroblastomas of divergent risk was immunohistochemically validated. This proof-of-concept study demonstrates that MALDI-MSI combined with univariate and multivariate analysis strategies can identify spatially discriminative risk-associated peptide signatures in neuroblastoma tissues. These results suggest a promising new analytical strategy improving risk classification and providing new biological insights into neuroblastoma intratumor heterogeneity.

scholarly journals Characterization of the Volatile Profile of Cultivated and Wild-Type Italian Celery (Apium graveolens L.) Varieties by HS-SPME/GC-MS

2021 ◽  
Vol 11 (13) ◽  
pp. 5855
Author(s):  
Samantha Reale ◽  
Valter Di Cecco ◽  
Francesca Di Donato ◽  
Luciano Di Martino ◽  
Aurelio Manzi ◽  
...  
Keyword(s):  
Solid Phase ◽  
Principal Component ◽  
Apium Graveolens ◽  
Gas Chromatography Mass Spectrometry ◽  
Bioactive Metabolites ◽  
Chemical Components ◽  
Volatile Profile ◽  
Wild Type ◽  
Multivariate Statistical ◽  
Clear Differentiation

Celery (Apium graveolens L.) is a vegetable belonging to the Apiaceae family that is widely used for its distinct flavor and contains a variety of bioactive metabolites with healthy properties. Some celery ecotypes cultivated in specific territories of Italy have recently attracted the attention of consumers and scientists because of their peculiar sensorial and nutritional properties. In this work, the volatile profiles of white celery “Sedano Bianco di Sperlonga” Protected Geographical Indication (PGI) ecotype, black celery “Sedano Nero di Torricella Peligna” and wild-type celery were investigated using head-space solid-phase microextraction combined with gas-chromatography/mass spectrometry (HS-SPME/GC-MS) and compared to that of the common ribbed celery. Exploratory multivariate statistical analyses were conducted using principal component analysis (PCA) on HS-SPME/GC-MS patterns, separately collected from celery leaves and petioles, to assess similarity/dissimilarity in the flavor composition of the investigated varieties. PCA revealed a clear differentiation of wild-type celery from the cultivated varieties. Among the cultivated varieties, black celery “Sedano Nero di Torricella Peligna” exhibited a significantly different composition in volatile profile in both leaves and petioles compared to the white celery and the prevalent commercial variety. The chemical components of aroma, potentially useful for the classification of celery according to the variety/origin, were identified.

scholarly journals Chemical Fingerprinting of Cryptic Species and Genetic Lineages of Aneura pinguis (L.) Dumort. (Marchantiophyta, Metzgeriidae)

Molecules ◽  
2021 ◽  
Vol 26 (4) ◽  
pp. 1180
Author(s):  
Rafał Wawrzyniak ◽  
Wiesław Wasiak ◽  
Beata Jasiewicz ◽  
Alina Bączkiewicz ◽  
Katarzyna Buczkowska
Keyword(s):  
Cluster Analysis ◽  
Cryptic Species ◽  
Plant Material ◽  
Chemical Constituents ◽  
Principal Component ◽  
Molecular Data ◽  
Rapid Identification ◽  
Multivariate Statistical ◽  
Genetic Lineages ◽  
Marker Compounds

Aneura pinguis (L.) Dumort. is a representative of the simple thalloid liverworts, one of the three main types of liverwort gametophytes. According to classical taxonomy, A. pinguis represents one morphologically variable species; however, genetic data reveal that this species is a complex consisting of 10 cryptic species (named by letters from A to J), of which four are further subdivided into two or three evolutionary lineages. The objective of this work was to develop an efficient method for the characterisation of plant material using marker compounds. The volatile chemical constituents of cryptic species within the liverwort A. pinguis were analysed by GC-MS. The compounds were isolated from plant material using the HS-SPME technique. Of the 66 compounds examined, 40 were identified. Of these 40 compounds, nine were selected for use as marker compounds of individual cryptic species of A. pinguis. A guide was then developed that clarified how these markers could be used for the rapid identification of the genetic lineages of A. pinguis. Multivariate statistical analyses (principal component and cluster analysis) revealed that the chemical compounds in A. pinguis made it possible to distinguish individual cryptic species (including genetic lineages), with the exception of cryptic species G and H. The classification of samples based on the volatile compounds by cluster analysis reflected phylogenetic relationships between cryptic species and genetic lineages of A. pinguis revealed based on molecular data.

scholarly journals Metabolic Profiling of Pitaya (Hylocereus polyrhizus) during Fruit Development and Maturation

Molecules ◽  
2019 ◽  
Vol 24 (6) ◽  
pp. 1114 ◽  
Author(s):  
Yawei Wu ◽  
Juan Xu ◽  
Yizhong He ◽  
Meiyan Shi ◽  
Xiumei Han ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Metabolic Profiling ◽  
Developmental Stages ◽  
Principal Component ◽  
Nutrient Content ◽  
Flight Mass Spectrometry ◽  
Potential Biomarker ◽  
Fruit Samples ◽  
Liquid Chromatography Tandem Mass ◽  
Hylocereus Polyrhizus

Pitaya (Hylocereus polyrhizus) has attracted much interest from consumers as it is a novelty fruit with high nutrient content and a tolerance to drought stress. As a group of attractive pigment- and health-promoting natural compounds, betalains represent a visual feature for pitaya fruit quality. However, little information on the correlation between betalains and relevant metabolites exists so far. Currently, color (Commission International del’Eclairage, CIE) parameters, betalain contents, and untargeted metabolic profiling (gas chromatography-time-of-flight-mass spectrometry, GC–MS and liquid chromatography tandem mass spectrometry, LC–MS) have been examined on ‘Zihonglong’ fruits at nine different developmental stages, and the variation character of the metabolite contents was simultaneously investigated between peel and pulp. Furthermore, principal component analysis (PCA) and partial least-squares discriminant analysis (PLS-DA) were used to explore metabolite profiles from the fruit samples. Our results demonstrated that the decrease of amino acid, accompanied by the increase of sugars and organic acid, might contribute to the formation of betalains. Notably, as one of four potential biomarker metabolites, citramalic acid might be related to betalain formation.

scholarly journals Influences of Smoking in Traditional and Industrial Conditions on Flavour Profile of Harbin Red Sausages by Comprehensive Two-Dimensional Gas Chromatography Mass Spectrometry

Foods ◽  
2021 ◽  
Vol 10 (6) ◽  
pp. 1180
Author(s):  
Xiaoyu Yin ◽  
Qian Chen ◽  
Qian Liu ◽  
Yan Wang ◽  
Baohua Kong
Keyword(s):  
Mass Spectrometry ◽  
Gas Chromatography ◽  
Volatile Compounds ◽  
Solid Phase ◽  
Meat Products ◽  
Principal Component ◽  
Quality Characteristics ◽  
Gas Chromatography Mass Spectrometry ◽  
Two Dimensional ◽  
Chromatography Mass Spectrometry

Smoking is mainly used to impart desirable flavour, colour and texture to the products. Various food smoking methods can be divided into traditional and industrial methods. The influences of three different smoking methods, including traditional smouldering smoke (TSS), industrial smouldering smoke (ISS) and industrial liquid smoke (ILS), on quality characteristics, sensory attributes and flavour profiles of Harbin red sausages were studied. The smoking methods had significant effects on the moisture content (55.74–61.72 g/100 g), L*-value (53.85–57.61), a*-value (11.97–13.15), b*-value (12.19–12.92), hardness (24.25–29.17 N) and chewiness (13.42–17.32). A total of 86 volatile compounds were identified by headspace solid phase microextraction combined with comprehensive two-dimensional gas chromatography mass spectrometry (GC × GC-qMS). Among them, phenolic compounds were the most abundant compounds in the all sausages. Compared with sausages smoked with smouldering smoke, the ILS sausages showed the highest content of volatile compounds, especially phenols, alcohols, aldehydes and ketones. Principal component analysis showed that the sausages smoked with different methods had a good separation based on the quality characteristics and GC × GC-qMS data. These results will facilitate optimising the smoking methods in the industrial production of smoked meat products.

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