Category: 111-11-5

Hosseini, Sayed Mostafa published the artcileMolecular thermodynamic modeling of surface tensions of some fatty acid esters and biodiesels, Name: Methyl octanoate, the main research area is mol thermodn surface tension fatty acid ester biodiesel.

This work addresses the mol. thermodn. and artificial neural network (ANN) modeling of surface tensions of several fatty acid esters and biodiesels. Two biodiesels were considered as pure fluid and the other as a binary mixture The mol. thermodn. model is based on the statistical mech. expression according to Fowler-Kirkwood-Buff approximation Regarding this, contributions to surface tension from the hard-chain repulsions, Lennard-Jones dispersion forces, and dipolar interactions were considered and assumed to be additive in the model development. The mol. thermodn. model used three mol. parameters reflecting the hard-core diameter, dispersive energy and segment number as well as the liquid densities for which the values were predicted from perturbed Yukawa-chain equation of state. Further, the model used dipole moment as an adjustable parameter for the accurate calculation of surface tensions. The model could predict 149 surface tension data points for 9 FAEs and 3 biodiesels in 268.6-393 K range with the average absolute relative deviation (AARD) of 1.82%. The degree of accuracy of proposed model has also been compared with some empirical equations. Concerning ANN modeling, a network comprising two hidden layers and 9 neurons for each layer has been trained, according to the constructive approach. The result of the training was quite good, the AARD of the pure fluid dataset of 137 points was found to be 0.44%.

Journal of Molecular Liquids published new progress about Algorithm. 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, Name: Methyl octanoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Muto, Antonella published the artcileFruit volatilome profiling through GC x GC-ToF-MS and gene expression analyses reveal differences amongst peach cultivars in their response to cold storage, Application of Methyl octanoate, the main research area is Prunus fruit volatilome cold storage gene expression.

Abstract: Peaches have a short shelf life and require chilling during storage and transport. Peach aroma is important for consumer preference and determined by underlying metabolic pathways and gene expression. Differences in aroma (profiles of volatile organic compounds, VOCs) have been widely reported across cultivars and in response to cold storage. However, few studies used intact peaches, or used equilibrium sampling methods subject to saturation We analyzed VOC profiles using TD-GC x GC-ToF-MS and expression of 12 key VOC pathway genes of intact fruit from six cultivars (three peaches, three nectarines) before and after storage at 1 °C for 7 days including 36 h shelf life storage at 20 °C. Two dimensional GC (GC x GC) significantly enhances discrimination of thermal desorption gas chromatog. time-of-flight mass spectrometry (TD-GC-ToF-MS) and detected a total of 115 VOCs. A subset of 15 VOCs from anal. with Random Forest discriminated between cultivars. Another 16 VOCs correlated strongly with expression profiles of eleven key genes in the lipoxygenase pathway, and both expression profiles and VOCs discriminated amongst cultivars, peach vs. nectarines and between treatments. The cultivar-specific response to cold storage underlines the need to understand more fully the genetic basis for VOC changes across cultivars.

Scientific Reports published new progress about Desorption. 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, Application of Methyl octanoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Ma, Pan published the artcileMARS 2: A computational tool to resolve and extract features from large-scale GC-MS datasets, Application of Methyl octanoate, the main research area is MARS computational tool resolve extract GC MS dataset.

MARS (MS-Assisted Resolution of Signal) is a computational tool for feature extraction using multivariate curve resolution approaches. However, it is time-consuming for large-scale GC-MS datasets and sensitive to the component number estimation Here we introduce MARS 2 with substantial improvements to overcome these limitations. Reverse matching (RM) and principal component optimization-iterative transformation target factor anal. (PCO-ITTFA) are developed to reduce the time for locating peak regions and determine the correct component number for resolving optimal features. The greatest strength of MARS 2 is “”resolve once, extract anywhere””. It means that mass spectra of each component were needed to resolve from only one profile. Then, chromatog. features can be extracted automatically from hundreds of other profiles with the assistance from the resolved mass spectra. To evaluate its performance, plasma datasets and fatty acid standard mixtures were processed by MARS 2, AMDIS, ADAP-GC 3.0, eRah and MS-DIAL. Amino acid standard mixtures were analyzed by MARS 2 for calibration. Results show that MARS 2 can achieve better performance in both qual. and quant. anal.

Chemometrics and Intelligent Laboratory Systems published new progress about Extraction. 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, Application of Methyl octanoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

El Cadi, Hafssa published the artcilePhysico-chemical and phytochemical characterization of Moroccan wild jujube “”Zizyphus lotus (L.)”” fruit crude extract and fractions, COA of Formula: C9H18O2, the main research area is Zizyphus fruit physicochem property phytochem; Rhamnaceae; antioxidant activity; flavonoids; liquid chromatography; phenolic compounds; tannins.

Wild jujube “”Ziziphus lotus (L.) Desf.”” belongs to the Rhamnaceae family and is a traditionally herbaceous medicinal plant. It is very common in arid and semi-arid regions and is currently used for its antidiabetic, sedative, analgesic, anti-inflammatory and hypoglycemic activities. The aim of the present work was to characterize the physico-chem. properties and the phytochem. profile of wild jujube sample collected from the Guercif region, in order to determine the polyphenolic compounds and the antioxidant ability Analyses were carried out directly after the harvest for the determination of pH, refractive index, total soluble solid (°Brix), dry matter, sugar/acidity, total sugars, reducing sugars, as well as lipid and protein content. Results showed that the investigated fruit is acidic (pH 4.9 ± 0.23) and rich in sugars (80.2 g/100 g ± 3.81). The GC-MS anal. of the fruit revealed a number of volatile compounds, as many as 97, belonging to different chem. classes. The HPLC-DAD-ESI/MS anal. showed the presence of a total of 20 polyphenolic compounds in both EtOAc and MeOH-water extracts Among them, p-Hydroxybenzoic acid was the most abundant in the EtOAc extract (185.68μg/100 mg ± 0.5) whereas Quercetin 3-O-rhamnoside-7-O-glucoside was found in higher amounts in the MeOH-water extract (25.40μg/100 mg ± 0.5). These components have medical interest, notably for human nutrition, as well as health benefits and therapeutic effects. Therefore, Moroccan jujube “”Zizyphus lotus (L.)”” fruit may have potential industrial applications for food formulations.

Molecules published new progress about Analgesics. 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, COA of Formula: C9H18O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Marti, Guillaume published the artcileComparison of the phytochemical composition of Serenoa repens extracts by a multiplexed metabolomic approach, SDS of cas: 111-11-5, the main research area is Serenoa metabolomics ethanol extract phytochem composition; Saw palmetto; Serenoa repens extract; metabolomics; natural products; phytochemical equivalence.

Phytochem. extracts are highly complex chem. mixtures In the context of an increasing demand for phytopharmaceuticals, assessment of the phytochem. equivalence of extraction procedures is of utmost importance. Compared to routine anal. methods, comprehensive metabolite profiling has pushed forward the concept of phytochem. equivalence. In this study, an untargeted metabolomic approach was used to cross-compare four marketed extracts from Serenoa repens obtained with three different extraction processes: ethanolic, hexanic and sCO2 (supercritical carbon dioxide). Our approach involved a biphasic extraction of native compounds followed by liquid chromatog. coupled to a high-resolution mass spectrometry based metabolomic workflow. Our results showed significant differences in the contents of major and minor compounds according to the extraction solvent used. The analyses showed that ethanolic extracts were supplemented in phosphoglycerides and polyphenols, hexanic extracts had higher amounts of free fatty acids and minor compounds, and sCO2 samples contained more glycerides. The discriminant model in this study could predict the extraction solvent used in com. samples and highlighted the specific biomarkers of each process. This metabolomic survey allowed the authors to assess the phytochem. content of extracts and finished products of S. repens and unequivocally established that sCO2, hexanic and ethanolic extracts are not chem. equivalent and are therefore unlikely to be pharmacol. equivalent

Molecules published new progress about Biomarkers. 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, SDS of cas: 111-11-5.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Chavez-Marquez, Alejandra published the artcileCharacterization of Cabernet Sauvignon Wines by Untargeted HS-SPME GC-QTOF-MS, Application of Methyl octanoate, the main research area is furfuryl ethyl ether acetoin acetic acid alpha terpineol metabolomics; HS-SPME GC-QTOFMS; Mexican wine; metabolomics; untargeted method validation; wine.

Untargeted metabolomics approaches are emerging as powerful tools for the quality evaluation and authenticity of food and beverages and have been applied to wine science. However, most fail to report the method validation, quality assurance and/or quality control applied, as well as the assessment through the metabolomics-methodol. pipeline. Knowledge of Mexican viticulture, enol. and wine science remains scarce, thus untargeted metabolomics approaches arise as a suitable tool. The aim of this study is to validate an untargeted HS-SPME-GC-qTOF/MS method, with attention to data processing to characterize Cabernet Sauvignon wines from two vineyards and two vintages. Validation parameters for targeted methods are applied in conjunction with the development of a recursive anal. of data. The combination of some parameters for targeted studies (repeatability and reproducibility < 20% RSD; linearity > 0.99; retention-time reproducibility < 0.5% RSD; match-identification factor < 2.0% RSD) with recursive anal. of data (101 entities detected) warrants that both chromatog. and spectrometry-processing data were under control and provided high-quality results, which in turn differentiate wine samples according to site and vintage. It also shows potential biomarkers that can be identified. This is a step forward in the pursuit of Mexican wine characterization that could be used as an authentication tool. Molecules published new progress about Biomarkers. 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, Application of Methyl octanoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Lu, Yao published the artcileChanges in the physicochemical components, polyphenol profile, and flavor of persimmon wine during spontaneous and inoculated fermentation, Safety of Methyl octanoate, the main research area is persimmon wine physicochem polyphenol flavor fermentation; Persimmon wine; fermentation; flavor; oenological parameter; polyphenol; sensory.

Changes in the oenol. parameters, total phenols, total flavonoids, and individual phenols of persimmon during spontaneous and inoculated fermentation were investigated. The volatile compounds and sensory character of the persimmon wine were compared and evaluated simultaneously. Results show that at the end of fermentation, spontaneous persimmon wine (SPW) has higher contents of total flavonoids, total phenols yet lower concentrations of alc. and volatile compounds than inoculated persimmon wine (IPW). Catechin, salicylic acid, quercetin, and vanillic acid were the main phenolic compounds in both types of persimmon wine. There are six volatile components in the IPW with an OAV greater than 1, which are isoamyl acetate, Et hexanoate, Me octanoate, Et octanoate, phenethyl acetate, and 2, 4-di-tert-butylphenol, and these compounds contribute to the IPW with brandy and fruity sensory properties, while only three volatile components in SPW have OAV greater than 1, which are isoamyl acetate, Et hexanoate, and Et octanoate. Spontaneous fermentation increased the proportion of esters and alcs. in the overall volatile compounds During sensory evaluation, IPW was characterized by “”brandy,”” “”bitterness,”” and low “”sweetness,”” and SPW has a high score of “”sweetness,”” “”balance,”” desirable “”color,”” and “”body.

Food Science & Nutrition (Hoboken, NJ, United States) published new progress about Bitterness. 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, Safety of Methyl octanoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Gluchowski, Artur published the artcileFresh Basil Infusion: Effect of Sous-Vide Heat Treatment on Their Volatile Composition Profile, Sensory Profile, and Color, Synthetic Route of 111-11-5, the main research area is basil volatile composition sensory color profile sousvide heat treatment; basil; color; infusion; sensory quality; sous-vide; volatile compounds profile.

Herbs, including basil, are used to enhance the flavor of food products around the world. Its potential is influenced by the quality of fresh herbs and processing practices, wherein conditions of heat treatment play an important role. The aim of the research was to determine the effect of sous-vide heat treatment on the volatile compounds profile, sensory quality, and color of basil infusions. The material used for research was aqueous basil infusion prepared conventionally at 100°C, and using the sous-vide method (65, 75, and 85°C). The composition of volatile compounds was identified by GC/MS anal., the sensory profile was assessed using a group of trained panelists, while the color was instrumentally assessed in the CIE Lab system. No significant differences were found in the intensity of the taste and aroma of basil infusions at different temperatures Seventy headspace volatile compounds were identified in the analyzed samples, ten of which exceeded 2% of relative area percentage. The most abundant compounds were eucalyptol (27.1%), trans-ocimene (11.0%), β-linalool (9.2%), and β-myrcene (6.7%). Most of the identified compounds belonged to the terpenes and alcs. groups. Our findings show that the conventional herbal infusion was more like a sous-vide infusion prepared at the lowest temperature SV65, while SV75 and SV85 were similar to each other but different from the conventional. However, a smaller number of volatile compounds in the samples heated at higher temperatures of sous-vide were identified. The sous-vide samples showed a higher content of alkanes. The sous-vide method (p ≤ 0.05) resulted in darker, less green, and less yellow basil leaves than fresh and traditionally steeped ones. Long heat treatment under vacuum at higher temperatures causes a pronounced change in the aroma composition

Molecules published new progress about Aftertaste. 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, Synthetic Route of 111-11-5.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Krishnamoorthi, M. published the artcileExperimental, numerical and exergy analyses of a dual fuel combustion engine fuelled with syngas and biodiesel/diesel blends, Recommanded Product: Methyl octanoate, the main research area is syngas biodiesel diesel combustion engine exergy simulation modeling.

This work investigates the effects of addition of syngas and biodiesel on a reactivity controlled compression ignition (RCCI) engine fuelled with diesel. SEM (SEM) of exhaust particulate matter has been done to obtain particulate matter (PM) morphol. Energy and exergy analyses have been performed to observe energy and availability shares, and to provide directions for the energy recovery systems. Closed cycle combustion simulations have been performed to complement the exptl. results and for an improved understanding of in-cylinder dynamics. Based on the initial study, used cooking oil based biodiesel blend (B20, 20% biodiesel) has been chosen in experiments The optimal operating conditions for syngas/diesel and syngas/B20 in RCCI mode for different operating parameters have been investigated. Injection pressure, injection timing and pre-injection mass ratio have been modified to get improved combustion efficiency at mid-load. Syngas/diesel mode with an injection timing of 19° before top dead center (bTDC) shows slightly higher brake thermal efficiency (BTE) with 22% and 77% lower oxides of nitrogen (NOx) and PM resp. as compared to conventional diesel combustion. In syngas/B20 mode, a maximum BTE of 24% has been observed for the case with a pre-injection at 50° bTDC with 30% mass fraction and 18° bTDC main injection timing. Syngas/diesel shows a reduction in primary soot particle count by about 67% and contains larger aggregates as compared to neat diesel.

Applied Energy published new progress about Aggregates. 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, Recommanded Product: Methyl octanoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Zhang, Boqin published the artcileUse of Torulaspora delbrueckii and Hanseniaspora vineae co-fermentation with Saccharomyces cerevisiae to improve aroma profiles and safety quality of Petit Manseng wines, COA of Formula: C9H18O2, the main research area is Torulaspora Hanseniaspora Saccharomyces fermentation safety quality Petit Manseng wines.

Nowadays, the inoculation of more than one non-Saccharomyces species in combination with S. cerevisiae was proposed to compensate the shortage of one non-Saccharomyces species and further enhance the wine quality. In this work, the fermentation performance of different co-inoculation ratios of Hanseniaspora vineae CVE-HV6 and Torulaspora delbrueckii CVE-TD20 sequential inoculation with S. cerevisiae was evaluated in Petit Manseng grape must. Results revealed that H. vineae and T. delbrueckii co-inoculation treatments increased the concentrations of desired aroma compounds, and decreased levels of acetic acid and biogenic amines compared to S. cerevisiae pure culture and the mixed cultures involved one non-Saccharomyces strain. The treatment of H. vineae and T. delbrueckii with a 2:8 inoculation ratio achieved the highest levels of major Et esters and the lowest level of acetic acid. Wines using co-inoculation of T. delbrueckii and H. vineae yeasts had less biogenic amines, especially tyramine, which was more pronounced with the increasing proportion of H. vineae. These results indicated that co-inoculating H. vineae and T. delbrueckii strains with the optimal ratio can make up some enol. shortages of non-Saccharomyces species, and effectively improve the overall quality of wine products.

LWT–Food Science and Technology published new progress about Alcoholics. 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, COA of Formula: C9H18O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics