Identification of Compounds That Contribute to Consumer Aroma Liking of Roasted American-European Hybrid Hazelnuts.

New interspecific hybrid hazelnut crosses between American () and European () hazelnuts are being developed to support a commercial industry in the Midwest region of the United States. In this study, volatile compounds that impact consumer aroma liking of roasted hybrid hazelnuts ( × ) were investigated by targeted and nontargeted GC/MS flavoromics. Chemical profiles from 10 roasted hybrid hazelnut samples were modeled with consumer aroma liking scores by orthogonal partial least-squares with good fit and predictive performance ( ≥ 0.

Characterization and Profiling of Key Odorants in Roasted Hybrid American-European Hazelnuts.

American-European hybrid hazelnuts ( × ) are an emerging crop in the Upper Midwest of the United States that have been reported to have unique sensory characteristics compared to traditionally grown European hazelnuts. In this study, key odor-active compounds in a roasted hybrid hazelnut variety ( × ) were identified and profiled across different hybrid hazelnut varietals to understand sensory differences. Gas chromatography/mass spectrometry/olfactometry analysis identified 33 odorants with high flavor dilution factors (FD ≥ 16) in the roasted hybrid hazelnut, including 2-acetylpyrazine and 2-aminoacetophenone as first reported hazelnut odorants.

Identification of Compounds That Impact Consumer Flavor Liking of American-European Hazelnut Hybrids Using Nontargeted LC/MS Analysis.

American-European ( × ) hazelnut hybrids are being developed for the Midwest-growing region of the United States. However, an inadequate understanding of the compounds that impact the consumer acceptance of hazelnuts limits breeding programs. Nontargeted liquid chromatography/mass spectrometry (LC/MS) chemical profiles of 12 roasted hybrid hazelnut samples and the corresponding consumer flavor liking scores were modeled by orthogonal partial least squares with good fit and predictive ability ( > 0.

Impact of rebaudioside A degradation compounds on flavor perception.

Rebaudioside A, a sweet-tasting steviol glycoside, is known to degrade in food products during storage and thought to contribute to flavor instability. The impact of rebaudioside A degradation compounds on flavor perception was investigated. Sensory descriptive analysis indicated rebaudioside A degradation compounds, at concentrations below detection thresholds, modified the perception of taste, somatosensorial, and retronasal aroma attributes of a strawberry-flavored model beverage.

Characterization of the impact of chlorogenic acids on tactile perception in coffee through an inverse effect on mouthcoating sensation.

Coffee "body" is acknowledged by coffee industry professionals to be an attribute which contributes meaningfully to overall coffee quality and is defined as the collective tactile sensation imparted by the beverage. Currently, there is limited knowledge of the chemical compounds that contribute to tactile attributes in coffee. In the present work, coffee body was determined to be comprised of 4 sub-attributes including mouthcoating, astringency, chalkiness, and thickness and the specific constituents contributing to the tactile sensation of mouthcoating were further pursued using sensory-guided fractionation via preparative-scale liquid chromatography.

Identification of a Bitter Peptide Contributing to the Off-Flavor Attributes of Pea Protein Isolates.

The aversive bitter taste of pea protein ingredients limits product acceptability. Compounds contributing to the bitter perception of pea protein isolates were investigated. Off-line multi-dimensional sensory-guided preparative liquid chromatography fractionation of a 10% aqueous PPI solution revealed one main bitter compound that was identified by Fourier transform ion cyclotron resonance mass spectrometry and tandem mass spectrometry (MS/MS) sequencing as the 37 amino acid peptide PA1b from pea albumin and further confirmed by synthesis.

Identification of compounds that enhance bitterness of coffee brew.

The bitterness perception of coffee is a key attribute that impacts consumer acceptance. Nontargeted liquid chromatography/mass spectrometry (LC/MS) flavoromics analysis was applied to identify compounds that enhance the bitter perception of roasted coffee brew. Orthogonal partial least squares (OPLS) analysis was used to model the comprehensive chemical profiles and sensory bitter intensity ratings of fourteen coffee brews with good fit and predictivity.

Mono--butyl Malate-Derived Compounds from Camu-camu () Malic Acid: The Alkyl-Dependent Antihyperglycemic-Related Activity.

Malic acid derivatives from camu-camu () fruit exhibited a strong in vitro inhibitory activity toward pancreatic α-amylase and α-glucosidase enzymes. During a bioguided chromatographic fractionation process of the whole fruit (pulp and peelings) polar extract, isomers ()-4-butoxy-2-hydroxy-4-oxobutanoic acid () and ()-4-butoxy-3-hydroxy-4-oxobutanoic acid () (84:16) were isolated and identified as a potent inhibitor of α-amylase (IC= 11.69 ± 1.

Identification of subthreshold chlorogenic acid lactones that contribute to flavor instability of ready-to-drink coffee.

Flavor instability of ready-to-drink (RTD) coffee during storage negatively impacts product quality. Untargeted liquid chromatography/mass spectrometry (LC/MS) analysis was applied to identify chemical compounds that degraded during storage and impacted the flavor attributes of RTD coffee. LC/MS chemical profiles of non-aged and aged coffee samples were modeled against the degree of difference sensory scores by orthogonal partial least squares with good fit (RY = 0.

Identification of Non-Volatile Compounds Generated during Storage That Impact Flavor Stability of Ready-to-Drink Coffee.

Coffee brew flavor is known to degrade during storage. Untargeted and targeted LC/MS flavoromics analysis was applied to identify chemical compounds generated during storage that impacted the flavor stability of ready-to-drink (RTD) coffee. MS chemical profiles for sixteen RTD coffee samples stored for 0, 1, 2, and 4 months at 30 °C were modeled against the sensory degree of difference (DOD) scores by orthogonal partial least squares (OPLS) with good fit and predictive ability.

Mechanisms of Rebaudioside A Degradation and Ingredient-Sweetener Interactions in Beverages during Storage.

The instability of rebaudioside A (Reb A) in food product applications during storage challenges their utilization. The pathways of Reb A degradation in aged acidic beverages were investigated. Three Reb A degradation compounds of known sensory importance were monitored, consisting of () a rearrangement, () a hydration, and () an epoxidation/rearrangement product.

Identification of Non-Volatile Compounds That Impact Flavor Disliking of Whole Wheat Bread Made with Aged Flours.

Whole wheat flour has a shorter shelf life than refined wheat flour due to off-flavor development. An untargeted liquid chromatography/mass spectrometry (LC/MS) flavoromics approach was applied to identify compounds that negatively impact the flavor liking in whole wheat bread made from aged flours. The chemical profiles of thirteen breads made from aged flours were obtained using LC/MS and modeled by orthogonal partial least squares (OPLS) to predict flavor liking.

Identification of non-volatile compounds that impact consumer liking of strawberry preserves: Untargeted LC-MS analysis.

Non-volatile compounds that impact the acceptability of strawberry preserves were investigated by untargeted LC-MS flavoromics analysis. Chemical profiles for fifteen strawberry preserves were modeled against consumer liking scores by orthogonal partial least squares (OPLS) with good fit (RY = 0.995) and predictive ability (Q = 0.

Untargeted LC-MS based identification of Rebaudioside A degradation products impacting flavor perception during storage.

Untargeted LC-MS flavoromics chemical profiling was used to identify compounds predictive of Rebaudioside A (Reb A) flavor instability in an acidified beverage after 6 weeks at 35 °C. High-quality orthogonal partial least squares analysis models were developed from the chemical data and d' values from tetrad sensory panel testing with good predictive ability. The top four highly predictive compounds were selected and identified as Reb A (negatively correlated) and three Reb A degradation compounds (positively correlated), which included a rearrangement, hydration, and an epoxidation/rearrangement of Reb A, termed compounds 1, 2, and 3, respectively.

Characterization of bitter compounds in native and hybrid American hazelnuts.

The main objective of this study was to identify compounds that contribute to the bitter taste attributes of American hazelnuts (C. americana) and derived hybrids. Sensory-guided Prep-LC fractionation analysis selected four compounds as bitter that were further identified by MS and NMR as carpinontriol B, 2-(3-hydroxy-2-oxoindolin-3-yl)acetic acid 3-O-6'-galactopyranosyl-2″-(2″oxoindolin-3″yl) acetate, giffonin-2-O-[(α-d-glucopyranosyl)-6'-O-(3-hydroxy-3-methylglutaric acid) and Afzelin, termed compounds 1-4, respectively.

Identification of non-volatile compounds that negatively impact whole wheat bread flavor liking.

Untargeted LC-MS flavoromic analysis was utilized to identify chemical compounds that impact consumer liking of whole wheat bread. Chemical fingerprints of thirteen whole wheat breads were modeled against consumer flavor liking scores by orthogonal partial least squares (OPLS) with good fit (RY = 0.98) and predictive ability (Q = 0.

Identification of coffee compounds that suppress bitterness of brew.

Untargeted LC-MS flavoromic profiling was utilized to identify compounds that suppress bitterness perception of coffee brew. The chemical profiles of fourteen brew samples and corresponding perceived bitterness intensities determined by descriptive sensory analysis were modeled by orthogonal partial least squares (OPLS) with good fit (RY > 0.9) and predictive ability (Q > 0.

Metabolomic study of soft corals from the Colombian Caribbean: PSYCHE and H-NMR comparative analysis.

Marine organisms have evolved to survive against predators in complex marine ecosystems via the production of chemical compounds. Soft corals (Cnidaria, Anthozoa, Octocorallia) are an important source of chemically diverse metabolites with a broad spectrum of biological activities. Herein, we perform a comparative study between high-resolution proton nuclear magnetic resonance (H-NMR) and pure shift yielded by chirp excitation (PSYCHE) experiments to analyze the metabolic profile of 24 soft corals from the Colombian Caribbean to correlate chemical fingerprints with their cytotoxic activity against three cancer cell lines (human cervical carcinoma (SiHa), human prostatic carcinoma (PC3) and human lung adenocarcinoma (A549)).

Identification of Compounds that Negatively Impact Coffee Flavor Quality Using Untargeted Liquid Chromatography/Mass Spectrometry Analysis.

Untargeted liquid chromatography/mass spectrometry (LC/MS) flavoromics analysis was carried out on 18 coffee brews ranging in Specialty Coffee Association (SCA) cup scores. Six compounds highly predictive of low cup score were isolated from coffee using multidimensional preparative LC/MS and further evaluated by sensory recombination analysis with certified SCA quality graders. A significant decrease in cup score was demonstrated with four of the six compounds when added to a specialty coffee brew.

Prostaglandins Isolated from the Octocoral : In Silico and In Vitro Studies Against Different Enzymes of Cancer.

Prostaglandin A-AcMe () and Prostaglandin A () were isolated from the octocoral and three semisynthetic derivatives (-) were then obtained using a reduction protocol. All compounds were identified through one- and two-dimensional (1D and 2D) nuclear magnetic resonance (NMR) experiments. Additionally, evaluation of in vitro cytotoxic activity against the breast (MDA-MB-213) and lung (A549) cancer cell lines, in combination with enzymatic activity and molecular docking studies with the enzymes p38α-kinase, Src-kinase, and topoisomerase IIα, were carried out for compounds - in order to explore their potential as inhibitors of cancer-related molecular targets.

Integrating Molecular Network and Culture Media Variation to Explore the Production of Bioactive Metabolites by A1SM3.

A1SM3 strain was isolated from a sediment sample from Manaure Solar Saltern in La Guajira and the produced crude extracts have shown antibacterial activity against methicillin-resistant and cytotoxic activity against human lung cell line. Thus, the aim of this research was to identify the main compound responsible for the biological activity observed and to systematically study how each carbon and nitrogen source in the growth media, and variation of the salinity, affect its production. For the characterization of the bioactive metabolites, 15 fractions obtained from A1SM3 crude extract were analyzed by HPLC-MS/MS and their activity was established.

Comparative Analyses of Metabolomic Fingerprints and Cytotoxic Activities of Soft Corals from the Colombian Caribbean.

Soft corals (Cnidaria, Anthozoa, Octocorallia) are a diverse group of marine invertebrates that inhabit various marine environments in tropical and subtropical areas. Several species are recognized as prolific sources of compounds with a wide array of biological activities. Recent advances in analytical techniques, supported by robust statistical analyses, have allowed the analysis and characterization of the metabolome present in a single living organism.

Screening of acetylcholinesterase inhibitors in marine organisms from the Caribbean Sea.

The acetylcholinesterase inhibitory activity of 89 organic extracts from marine organisms was evaluated through a TLC bioautography methodology. Extracts from soft corals ( and ) were the most active compared with extracts from sponges. The bioguided chemical study of the most active extract, obtained from , led to the isolation of a diterpene with spectroscopic properties consistent to those published to the cembrane Steylolide.

Use of a mixed culture strategy to isolate halophilic bacteria with antibacterial and cytotoxic activity from the Manaure solar saltern in Colombia.

Background: Water evaporation in solar salterns creates salinity gradients that promote the adaptation of microbial species to different salinities. This competitive habitat challenges the metabolic capabilities of microorganisms and promotes alterations in their production of secondary metabolites. Thus, solar salterns are a potentially important source of new natural products.