Category: 14667-55-1

Sakkiah, Sugunadevi published the artcileDevelopment of a Nicotinic Acetylcholine Receptor nAChR α7 Binding Activity Prediction Model, Computed Properties of 14667-55-1, the main research area is nicotinic receptor binding addictive tobacco constituent.

Despite the well-known adverse health effects associated with tobacco use, addiction to nicotine found in tobacco products causes difficulty in quitting among users. Nicotinic acetylcholine receptors (nAChRs) are the physiol. targets of nicotine and facilitate addiction to tobacco products. The nAChR-α7 subtype plays an important role in addiction; therefore, predicting the binding activity of tobacco constituents to nAChR-α7 is an important component for assessing addictive potential of tobacco constituents. We developed an α7 binding activity prediction model based on a large training data set of 843 chems. with human α7 binding activity data extracted from PubChem and ChEMBL. The model was tested using 1215 chems. with rat α7 binding activity data from the same databases. Based on the competitive docking results, the docking scores were partitioned to the key residues that play important roles in the receptor-ligand binding. A decision forest was used to train the human α7 binding activity prediction model based on the partition of docking scores. Five-fold cross validations were conducted to estimate the performance of the decision forest models. The developed model was used to predict the potential human α7 binding activity for 5275 tobacco constituents. The human α7 binding activity data for 84 of the 5275 tobacco constituents were exptl. measured to confirm and empirically validate the prediction results. The prediction accuracy, sensitivity, and specificity were 64.3, 40.0, and 81.6%, resp. The developed prediction model of human α7 may be a useful tool for high-throughput screening of potential addictive tobacco constituents.

Journal of Chemical Information and Modeling published new progress about Databases. 14667-55-1 belongs to class pyrazines, name is 2,3,5-Trimethylpyrazine, and the molecular formula is C7H10N2, Computed Properties of 14667-55-1.

Referemce:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Yao, Di published the artcileEffect of microbial communities on the quality characteristics of northeast soybean paste: Correlation between microorganisms and metabolites, Synthetic Route of 14667-55-1, the main research area is soybean paste microorganism metabolite microbial community.

To systematically explore the impact of microbial community composition on the quality characteristics of northeast soybean paste, the microbial community structure was determined by high-throughput sequencing technol. and the flavor substance, free amino acid (FAA) and biogenic amine (BA) contents were determined by HS-SPME-GC-MS and HPLC. Furthermore, the correlation between microorganisms and metabolites was investigated. The results indicated that the core bacteria mainly included Tetragenococcus, Bacillus and Lactobacillus; Candida_f__norank, Wickerhamomyces and Aspergillus were the dominant fungi. A total of 139 flavor compounds were detected in all samples, and decamethylcyclopentasiloxane, isoamyl phenylacetate and octamethylcyclotetrasiloxane accounted for the highest proportion. A total of 24 FAAs were detected in the soybean paste. Pantoea, Kroppenstedtia and Kocuria were significantly pos. correlated with most FAAs (p < 0.05). Addnl. 5 BAs were detected in the soybean paste, and the contents of BAs in Y4 were highest, which was affected by different microbes. This study provided relevant information for the microbial community composition and metabolites of northeast soybean paste, which was of great significance for understanding the characteristics and safety of soybean paste. LWT--Food Science and Technology published new progress about Acaulium. 14667-55-1 belongs to class pyrazines, name is 2,3,5-Trimethylpyrazine, and the molecular formula is C7H10N2, Synthetic Route of 14667-55-1.

Referemce:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Shah, Niti H. published the artcileNon-targeted analysis using gas chromatography-mass spectrometry for evaluation of chemical composition of E-vapor products, Computed Properties of 14667-55-1, the main research area is E vapor product gas chromatog mass spectrometry chem composition; ENDS; GC-MS; aerosol; e-cigarettes; e-liquids; electronic vapor products; non-targeted analysis; semi-quantitative analysis.

The Premarket Tobacco Product Applications (PMTA) guidance issued by the Food and Drug Administration for electronic nicotine delivery systems (ENDSs) recommends that in addition to reporting harmful and potentially harmful constituents (HPHCs), manufacturers should evaluate these products for other chems. that could form during use and over time. Although e-vapor product aerosols are considerably less complex than mainstream smoke from cigarettes and heated tobacco product (HTP) aerosols, there are challenges with performing a comprehensive chem. characterization. Some of these challenges include the complexity of the e-liquid chem. compositions, the variety of flavors used, and the aerosol collection efficiency of volatile and semi-volatile compounds generated from aerosols. In this study, a non-targeted anal. method was developed using gas chromatog.-mass spectrometry (GC-MS) that allows evaluation of volatile and semi-volatile compounds in e-liquids and aerosols of e-vapor products. The method employed an automated data anal. workflow using Agilent MassHunter Unknowns Anal. software for mass spectral deconvolution, peak detection, and library searching and reporting. The automated process ensured data integrity and consistency of compound identification with >99% of known compounds being identified using an inhouse custom mass spectral library. The custom library was created to aid in compound identifications and includes over 1,100 unique mass spectral entries, of which 600 have been confirmed from reference standard comparisons. The method validation included accuracy, precision, repeatability, limit of detection (LOD), and selectivity. The validation also demonstrated that this semi-quant. method provides estimated concentrations with an accuracy ranging between 0.5- and 2.0-fold as compared to the actual values. The LOD threshold of 0.7 ppm was established based on instrument sensitivity and accuracy of the compounds identified. To demonstrate the application of this method, we share results from the comprehensive chem. profile of e-liquids and aerosols collected from a marketed e-vapor product. Applying the data processing workflow developed here, 46 compounds were detected in the e-liquid formulation and 55 compounds in the aerosol sample. More than 50% of compounds reported have been confirmed with reference standards The profiling approach described in this publication is applicable to evaluating volatile and semi-volatile compounds in e-vapor products.

Frontiers in Chemistry (Lausanne, Switzerland) published new progress about Aerosols. 14667-55-1 belongs to class pyrazines, name is 2,3,5-Trimethylpyrazine, and the molecular formula is C7H10N2, Computed Properties of 14667-55-1.

Referemce:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Dandamudi, Kodanda Phani Raj published the artcileHydrothermal liquefaction of Cyanidioschyzon merolae and Salicornia bigelovii Torr.: The interaction effect on product distribution and chemistry, Product Details of C7H10N2, the main research area is hydrothermal liquefaction cyanidioschyzon merolae salicornia bigelovii Torr interaction effect.

Hydrothermal liquefaction (HTL) has proven to be a promising technol. for processing wet biomass into valuable biofuel intermediates. We investigated the influence of HTL process parameters on the individual and co-liquefaction of Salicornia bigelovii Torr. (SL) and Cyanidioschyzon merolae (CM) biomass and their resp. product properties and characteristics. SL and CM biomasses were subjected to HTL conditions of process temperatures (250-350 °C), 10 wt% solid loading, 30 min reaction time, and co-liquefaction ratios (80-20, 50-50, 20-80, CM-SL, resp.). The individual maximum HTL biocrude yields for CM (34.63 wt%) and SL (7.63 wt%) were obtained at 300 °C. In both cases, biocrude oils had a higher carbon and hydrogen content relative to those of the original biomass. The HHV (higher heating value) values for the biocrude samples ranged from 24.2 to 33.12 MJ/kg, which were significantly higher than those of the original biomasses. A pos. synergistic effect was observed during the co-liquefaction of two biomasses, where the exptl. yield of biocrude oil was higher than the theor. value. During the co-liquefaction experiments, a maximum biocrude yield of 32.95 wt% was obtained at 300 °C and 80-20 CM-SL biomass mix ratio. Co-liquefaction led to an increase in the energy content of the co-liquefied biocrude oil and a higher energy recovery rate. The properties of HTL products and biomasses were determined with TGA, CHN elemental analyzer, GC/MS, bomb calorimeter, HACH Spectrophotometer, and ICP OES.

Fuel published new progress about Biofuels. 14667-55-1 belongs to class pyrazines, name is 2,3,5-Trimethylpyrazine, and the molecular formula is C7H10N2, Product Details of C7H10N2.

Referemce:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Cain, Caitlin N. published the artcileTile-Based Pairwise Analysis of GC x GC-TOFMS Data to Facilitate Analyte Discovery and Mass Spectrum Purification, Synthetic Route of 14667-55-1, the main research area is tile based pairwise GC TOFMS mass spectrum purification.

A new tile-based pairwise anal. workflow, termed 1v1 anal., is presented to discover and identify analytes that differentiate two chromatograms collected using comprehensive two-dimensional (2D) gas chromatog. coupled with time-of-flight mass spectrometry (GC x GC-TOFMS). Tile-based 1v1 anal. easily discovered all 18 non-native analytes spiked in diesel fuel within the top 30 hits, outperforming standard pairwise chromatog. analyses. However, eight spiked analytes could not be identified with multivariate curve resolution-alternating least-squares (MCR-ALS) nor parallel factor anal. (PARAFAC) due to background contamination. Analyte identification was achieved with class comparison enabled-mass spectrum purification (CCE-MSP), which obtains a pure analyte spectrum by normalizing the spectra to an interferent mass channel (m/z) identified from 1v1 anal. and subtracting the two spectra. This report also details the development of CCE-MSP assisted MCR-ALS, which removes the identified interferent m/z from the data prior to decomposition In total, 17 out of 18 spiked analytes had a match value (MV) > 800 with both versions of CCE-MSP. For example, MCR-ALS and PARAFAC were unable to decompose the pure spectrum of Me decanoate (MVs < 200) due to its low 2D chromatog. resolution (~0.34) and high interferent-to-analyte signal ratio (~30:1). By leveraging information gained from 1v1 anal., CCE-MSP and CCE-MSP assisted MCR-ALS obtained a pure spectrum with an average MV of 908 and 964, resp. Furthermore, tile-based 1v1 anal. was applied to track moisture damage in cacao beans, where 86 analytes with at least a 2-fold concentration change were discovered between the unmolded and molded samples. This 1v1 anal. workflow is beneficial for studies where multiple replicates are either unavailable or undesirable to save anal. time. Analytical Chemistry (Washington, DC, United States) published new progress about Cocoa beans. 14667-55-1 belongs to class pyrazines, name is 2,3,5-Trimethylpyrazine, and the molecular formula is C7H10N2, Synthetic Route of 14667-55-1.

Referemce:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Frauendorfer, Felix published the artcileKey aroma compounds in fermented Forastero cocoa beans and changes induced by roasting, Safety of 2,3,5-Trimethylpyrazine, the main research area is Forastero cocoa bean favor dilution.

The influence of the roasting procedure on the composition of key aroma compounds in fermented Forastero cocoa beans was investigated. For this purpose, the volatile fractions from the unroasted, fermented and the roasted cocoa were isolated by extraction/SAFE distillation, and the odor-active constituents were characterised by gas chromatog.-olfactometry in combination with an aroma extract dilution anal. A total of 41 aroma compounds in the flavor dilution (FD) factor range of 2-8192 were identified in the unroasted and 42 compounds with FD factors of 2-8192 in the roasted cocoa beans. Qual., the set of aroma compounds was nearly identical in both samples; however, differences in the flavor dilution factors were observed 2- and 3-Me butanoic acid (sweaty) and acetic acid (vinegar-like, sour) showed the highest FD factors in the unroasted beans, while 3-methylbutanal (malty), 4-hydroxy-2,5-dimethyl-3(2H)-furanone (caramel-like) and 2- and 3-Me butanoic acid (sweaty) were detectable by GC/O in the highest dilutions in the roasted seeds. Quantitation of the most odor-active compounds by means of stable isotope dilution assays, followed by calculation of odor activity values (OAV, ratio of concentration to odor threshold), revealed concentrations above the threshold level for 20 compounds in the unroasted and 24 compounds in the roasted beans. The roasting procedure led to a strong increase, in particular, in the concentrations of the two Strecker aldehydes 3-methylbutanal (malty) and phenylacetaldehyde (honey-like) as well as 4-hydroxy-2,5-dimethyl-3(2H)-furanone (caramel-like).

European Food Research and Technology published new progress about Cocoa beans. 14667-55-1 belongs to class pyrazines, name is 2,3,5-Trimethylpyrazine, and the molecular formula is C7H10N2, Safety of 2,3,5-Trimethylpyrazine.

Referemce:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Scalone, Gustavo Luis Leonardo published the artcileCocoa-specific flavor components and their peptide precursors, COA of Formula: C7H10N2, the main research area is cocoa flavor peptide pepsin chromatog; Cocoa flavor; Globular storage protein; Mass spectrometry; Peptides; Volatile compounds; in-vitro proteolysis.

Essential precursors of the cocoa-specific roasting-flavor notes were formed during proteolysis of the cocoa vicilin-class(7S) globulin by a mixture of cocoa aspartic protease and carboxypeptidase. These could be partially purified by ligand-exchange chromatog. Many constituents of this peptide fraction were destroyed by post-treatment with pepsin, but the cocoa-specific flavor-precursor peptides were largely resistant against pepsin treatment. However, these peptides were not generated when the cocoa vicilin-class(7S) globulin was digested with a mixture of pepsin and carboxypeptidase. By nano-liquid chromatog. mass spectrometry, the peptide composition of these peptide fractions were compared in order to identify the putative precursors of the cocoa-specific flavor components. These peptides were assigned to five regions of the cocoa vicilin-class(7S) globulin. Analyzing the roasting products of the different protein fractions by headspace solid-phase microextraction, followed by gas chromatog. mass spectrometry, eight volatile compounds were detected, whose occurrence correlated with the sensory detection of cocoa-specific flavor notes.

Food Research International published new progress about Cocoa beans. 14667-55-1 belongs to class pyrazines, name is 2,3,5-Trimethylpyrazine, and the molecular formula is C7H10N2, COA of Formula: C7H10N2.

Referemce:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Ontanon, Ignacio published the artcileAir inside a dishwasher: Odour characterization and strategy for measuring odour changes, Related Products of pyrazines, the main research area is dishwasher odor atm sensory analysis.

The use of home appliances can cause various problems. In the case of dishwashers, the generation of bad odours is one of the most serious problems for users. Odours inside dishwashers are mainly caused by the presence of food residues. A study using gas chromatog.-olfactometry (GC-O) has been carried out to establish how different food residues produce differences in the odours found in dishwashers. A total of 49 compounds were identified in the 109 odor zones detected. Di-Me trisulfide and methanethiol/dimethyl sulfide were the most significant compounds in most of the situations studied. Some of these compounds were selected to generate an ‘odorous atm.’ that was subjected to chem. and sensory anal. Treatments for the elimination of odours, designed to alter the odours, were applied to this atm. before performing chem. (GC-MS) and sensory analyses. The sensory anal. was carried out to determine the intensity and hedonic tone of the odorous atm. Differences between treatments were found.

Flavour and Fragrance Journal published new progress about Dishwashers. 14667-55-1 belongs to class pyrazines, name is 2,3,5-Trimethylpyrazine, and the molecular formula is C7H10N2, Related Products of pyrazines.

Referemce:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Xu, Ziyan published the artcileProcessing of flavor-enhanced oils: optimization and validation of multiple headspace solid-phase microextraction-arrow to quantify pyrazines in the oils, HPLC of Formula: 14667-55-1, the main research area is rapeseed oil flavor pyrazine solid phase microextraction; flavor edible oil; internal standard method; multiple headspace solid-phase microextraction; pyrazine; solid-phase microextraction-arrow.

An efficient and effective multiple headspace-solid phase microextraction-arrow-gas chromatog.-mass spectrometry (MHS-SPME-arrow-GCMS) anal. protocol is established and used to quantify the flavor compounds in oils. SPME conditions, such as fiber coating, preincubation temperature, extraction temperature, and time were studied. The feasibility was compared between SPME-arrow and the traditional fiber by loading different sample amounts It was found that the SPME-arrow was more suitable for the MHS-SPME. The limit of detection (LODs) and limit of quantitation (LOQs) of pyrazines were in the range of 2-60 ng and 6-180 ng/g oil, resp. The relative standard deviation (RSD) of both intra- and inter-day were lower than 16%. The mean recoveries for spiked pyrazines in rapeseed oil were in the range of 91.6-109.2%. Furthermore, this newly established method of MHS-SPME-arrow was compared with stable isotopes dilution anal. (SIDA) by using [2H6 ]-2-methyl-pyrazine. The results are comparable and indicate this method can be used for edible oil flavor anal.

Life (Basel, Switzerland) published new progress about Equilibrium. 14667-55-1 belongs to class pyrazines, name is 2,3,5-Trimethylpyrazine, and the molecular formula is C7H10N2, HPLC of Formula: 14667-55-1.

Referemce:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Kilgannon, Ashleigh K. published the artcileTemperature-time combination effects on aged beef volatile profiles and their relationship to sensory attributes, Synthetic Route of 14667-55-1, the main research area is volatile organic compound temperature; Accelerated ageing; Ageing period; Eating quality; Holding temperature; Untrained panel; Volatile organic compounds.

Beef ageing (in vacuo) for tenderisation and flavor development may be accelerated by favorable temperature-time combinations (TTCs), however the effect of such manipulations on volatile organic compounds (VOCs) that are generated during cooking, is unknown. We compared VOCs from grilled beef longissimus lumborum muscle samples which had been subjected to different TTCs. The TTCs consisted of combinations of temperatures (∼ 3, 5, or 7°C) and ageing time periods (6, 8, 10 or 12 d); as well as control samples, which were held at 0-2°C for a total of 14 d. Sensory quality attributes of these same samples were measured by untrained consumer panellists. Generally, it was found that TTCs had negligible effects on grilled beef VOCs and were comparable to controls. Furthermore, many VOCs were significantly related to flavor intensity, flavor liking and overall liking. These findings support the use of TTCs as a viable means to accelerate the rate of beef ageing without compromising quality.

Meat Science published new progress about Temperature. 14667-55-1 belongs to class pyrazines, name is 2,3,5-Trimethylpyrazine, and the molecular formula is C7H10N2, Synthetic Route of 14667-55-1.

Referemce:
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem