Radulovic, Niko S.’s team published research in Journal of Natural Products in 2020-12-24 | CAS: 6259-76-3

Journal of Natural Products published new progress about Conocephalum conicum. 6259-76-3 belongs to class esters-buliding-blocks, name is Hexyl 2-hydroxybenzoate, and the molecular formula is C13H18O3, Name: Hexyl 2-hydroxybenzoate.

Radulovic, Niko S. published the artcileImmunomodulatory Constituents of Conocephalum conicum (Snake Liverwort) and the Relationship of Isolepidozenes to Germacranes and Humulanes, Name: Hexyl 2-hydroxybenzoate, the main research area is immunomodulatory Conocephalum isolepidozene germacrane humulane.

Structural elucidation of three new sesquiterpenoids, namely, (1Z,4E)-lepidoza-1(10),4-dien-14-ol (I), rel-(1(10)Z,4S,5E,7R)-germacra-1(10),6 diene-11,14-diol (2), and rel-(1(10)Z,4S,5E,7R)-humula-1(10),5-diene-7,14-diol (3), isolated from the liverwort Conocephalum conicum, was accomplished by a combination of extensive NMR experiments, 1H NMR simulation, and other means. Addnl., the change of the identity of bicyclogermacren-14-al, previously reported as a C. conicum constituent, to isolepidozen-14-al is proposed. Compounds 2 and 3 appear to be related to I via hydration involving a shared intermediate, a substituted cyclopropylmethyl cation, formed by a highly regio- and stereoselective protonation of I, followed by a stereospecific fission of the three-membered ring. In other words, an isolepidozene derivative might be a branchpoint to humulanes and germacranes; this transformation could be of, up to now, unknown, biosynthetic and/or synthetic relevance. Multivariate statistical anal. of the compositional data of C. conicum extract constituents was used to probe the hypothesized biochem. relations. The immunomodulatory effect of I-3 and conocephalenol (4) was evaluated in an in vitro model on both nonstimulated and mitogen-stimulated rat splenocytes. The compounds displayed varying degrees of cytotoxicity to nonstimulated splenocytes, whereas 2 and 3 were found to exert immunosuppressive effects on Con A-stimulated splenocytes while not being cytotoxic at the same concentrations

Journal of Natural Products published new progress about Conocephalum conicum. 6259-76-3 belongs to class esters-buliding-blocks, name is Hexyl 2-hydroxybenzoate, and the molecular formula is C13H18O3, Name: Hexyl 2-hydroxybenzoate.

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

Anonymous’s team published research in Molecules in 2020 | CAS: 6259-76-3

Molecules published new progress about Bond angle, dihedral. 6259-76-3 belongs to class esters-buliding-blocks, name is Hexyl 2-hydroxybenzoate, and the molecular formula is C13H18O3, Computed Properties of 6259-76-3.

Anonymous published the artcileModified clerodanes from the essential oil of Dodonea viscosa leaves, Computed Properties of 6259-76-3, the main research area is Dodonea leaf essential oil clerodane computational model; Dodonea viscosa; bicyclo[5.4.0]undecane skeleton; density functional theory; electronic circular dichroism; essential oil; furanoid (nor)diterpenes.

Dodonea viscosa (L.) Jacq from Reunion Island (Indian Ocean) was investigated for its leaf essential oil composition The plant was extracted by hydrodistillation and its essential oil analyzed by gas chromatog. coupled to mass spectrometry. This study revealed that oxygenated norditerpenes and diterpenes were one of the major chem. classes (> 50%) mainly consisting of three modified cyclopropylclerodanes containing a bicyclo[5.4.0]undecane ring system: one new furanoid norditerpene, dodovisate C, and two furanoid diterpenes, the known Me dodovisate A and the new Me iso-dodovisate A. These three compounds were isolated by liquid chromatog. and their structures established on the basis of spectroscopic studies. The absolute configuration of dodovisate C was elucidated through a joint exptl. and theor. (B3LYP/6-311+G(d,p)) electronic CD study. The relative configurations of Me dodovisate A and Me iso-dodovisate A were determined using linear regressions of theor. chem. shifts vs. exptl. values with the (B3LYP/6-311+G(d,p)) method.

Molecules published new progress about Bond angle, dihedral. 6259-76-3 belongs to class esters-buliding-blocks, name is Hexyl 2-hydroxybenzoate, and the molecular formula is C13H18O3, Computed Properties of 6259-76-3.

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

Sousa, Antonio’s team published research in Food Research International in 2020-11-30 | CAS: 6259-76-3

Food Research International published new progress about Acids Role: FFD (Food or Feed Use), BIOL (Biological Study), USES (Uses). 6259-76-3 belongs to class esters-buliding-blocks, name is Hexyl 2-hydroxybenzoate, and the molecular formula is C13H18O3, Application In Synthesis of 6259-76-3.

Sousa, Antonio published the artcileGeographical differentiation of apple ciders based on volatile fingerprint, Application In Synthesis of 6259-76-3, the main research area is apple cider volatile fingerprint geog differentiation; Apple varieties (Malus domestica); Geographical regions; Markers; Volatile organic compounds.

With the globalization of food trade, its traceability and genuineness becomes increasingly more difficult. Therefore, it is necessary to develop anal. tools to define the authenticity and genuineness of food-derived products. In the current work, headspace solid-phase microextraction followed by gas chromatog.-mass spectrometry (HS-SPME/GC-MS) combined with chemometric tools was used to establish the volatile fingerprint of apple ciders produced in different geog. regions of Madeira Island, in order to define their typicity and to identify putative geog. markers. A total of 143 volatile organic compounds (VOCs) belonging to different chem. families have been identified, of which 28 were found in all apple ciders independently of geog. region. Esters, terpenic and furanic compounds presented on average a higher contribution for the total volatile fingerprint in cider produced in northern region of the Island, whereas alcs., acids, volatile phenols, carbonyl compounds and lactones in cider from southern region. Considering the relative areas of the VOCs, 43 revealed statistically significant differences (p < 0.001) between geog. regions, and 11 between northern and southern regions. A clear differentiation among cider-producing regions was observed on the developed partial least squares-discriminant anal. (PLS-DA) model. Two alcs. (1-hexanol, 1-octanol), 6 esters (Me acetate, (Z)-3-hexen-1-ol acetate, Et hexanoate, Et nonanote, Et octanoate, isoamyl octanoate) and 1 terpenic compound (limonene), can be considered putative geog. markers due to their discriminatory ability. The results obtained recognize the specific and typical geog. characteristics of the cider, which will allow the forthcoming guarantee for the construction of a sustainable platform for the establishment of the authenticity and typicality of the regional cider. Food Research International published new progress about Acids Role: FFD (Food or Feed Use), BIOL (Biological Study), USES (Uses). 6259-76-3 belongs to class esters-buliding-blocks, name is Hexyl 2-hydroxybenzoate, and the molecular formula is C13H18O3, Application In Synthesis of 6259-76-3.

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

Kim, Sehyun’s team published research in Molecules in 2022 | CAS: 6259-76-3

Molecules published new progress about Body odor. 6259-76-3 belongs to class esters-buliding-blocks, name is Hexyl 2-hydroxybenzoate, and the molecular formula is C13H18O3, SDS of cas: 6259-76-3.

Kim, Sehyun published the artcileIn Vitro and In Vivo Human Body Odor Analysis Method Using GO:PANI/ZNRs/ZIF-8 Adsorbent Followed by GC/MS, SDS of cas: 6259-76-3, the main research area is graphene oxide polyaniline zinc nanorod ZIF 8 body odor; GO:PANI/ZNRs/ZIF−8; headspace-in needle microextraction; human body odor; needle-based adsorbent; response surface methodology; volatile organic compounds.

Among various volatile organic compounds (VOCs) emitted from human skin, trans-2-nonenal, benzothiazole, hexyl salicylate, α-hexyl cinnamaldehyde, and iso-Pr palmitate are key indicators associated with the degrees of aging. In our study, extraction and determination methods of human body odor are newly developed using headspace-in needle microextraction (HS-INME). The adsorbent was synthesized with graphene oxide:polyaniline/zinc nanorods/zeolitic imidazolate framework-8 (GO:PANI/ZNRs/ZIF-8). Then, a wire coated with the adsorbent was placed into the adsorption kit to be directly exposed to human skin as in vivo sampling and inserted into the needle so that it was able to be desorbed at the GC injector. The adsorption kit was made inhouse with a 3D printer. For the in vitro method, the wire coated with the adsorbent was inserted into the needle and exposed to the headspace of the vial. When a cotton T-shirt containing body odor was transferred to a vial, the headspace of the vial was saturated with body odor VOCs. After volatile organic compounds were adsorbed in the dynamic mode, the needle was transferred to the injector for anal. of the volatile organic compounds by gas chromatog./mass spectrometry (GC/MS). The conditions of adsorbent fabrication and extraction for body odor compounds were optimized by response surface methodol. (RSM). In conclusion, it was able to synthesize GO:PANI/ZNRs/ZIF-8 at the optimal condition and applicable to both in vivo and in vitro methods for body odor VOCs anal.

Molecules published new progress about Body odor. 6259-76-3 belongs to class esters-buliding-blocks, name is Hexyl 2-hydroxybenzoate, and the molecular formula is C13H18O3, SDS of cas: 6259-76-3.

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

Shabani, Mahtab’s team published research in Applied Clay Science in 2020-09-15 | CAS: 6259-76-3

Applied Clay Science published new progress about Adsorption. 6259-76-3 belongs to class esters-buliding-blocks, name is Hexyl 2-hydroxybenzoate, and the molecular formula is C13H18O3, COA of Formula: C13H18O3.

Shabani, Mahtab published the artcileLong-lasting adsorption of golden flower oil on polyvinyl alcohol/clinoptilolite (PVA/CP) xerogel particles, COA of Formula: C13H18O3, the main research area is polyvinyl alc clinoptilolite xerogel golden flower oil adsorption.

The present work aimed to study the adsorption and desorption characteristics of Golden Flower Oil (GFO) on xerogel particles made of Clinoptilolite (CP), a natural zeolite and polyvinyl alc. (PVA). Firstly, chem. composition and phys. characteristics of GFO (by GC/MS) and CP (by SEM and BET) were thoroughly characterized. PVA/CP xerogel was synthesized then and characterized by SEM, BET, TGA, and DSC techniques. Adsorption of the 12 GFO components on the CP and PVA/CP xerogel surface was investigated in different concentrations of GFO components. Both adsorbents showed concentration-independent and selective adsorption for GFO components. The selective adsorption index showed a direct relationship with polarity (δP) of the components and inversely correlated with their molar volume (Vm). Adsorption isotherms of the components were fitted by Langmuir, Freundlich, and Temkin equations. Maximum monolayer GFO adsorption on PVA/CP surface was equal to 231.93 mg g-1 compared to 198.73 mg g-1 for CP as an adsorbent. The maximum desorbed amount for each of the components was directly related to the Vm parameter and the weight percentage of each GFO component in the oil and inversely related to δP. Multilayer desorbed amount from PVA/CP xerogel particles (366.03 mg g-1) was less than that for CP particles (573.36 mg g-1) supporting PVA/CP for retaining GFO for longer periods.

Applied Clay Science published new progress about Adsorption. 6259-76-3 belongs to class esters-buliding-blocks, name is Hexyl 2-hydroxybenzoate, and the molecular formula is C13H18O3, COA of Formula: C13H18O3.

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

Riboni, N.’s team published research in Talanta in 2021-03-01 | CAS: 6259-76-3

Talanta published new progress about Adsorbents. 6259-76-3 belongs to class esters-buliding-blocks, name is Hexyl 2-hydroxybenzoate, and the molecular formula is C13H18O3, HPLC of Formula: 6259-76-3.

Riboni, N. published the artcileA simple and efficient Solid-Phase Microextraction – Gas Chromatography – Mass Spectrometry method for the determination of fragrance materials at ultra-trace levels in water samples using multi-walled carbon nanotubes as innovative coating, HPLC of Formula: 6259-76-3, the main research area is fragrance material multiwalled CNT SPE GC MS water pollution; Emerging contaminants; Fragrance materials; Multi-walled carbon nanotubes; Personal care products; Solid-phase microextraction; Water sample.

The occurrence of emerging contaminants is becoming of increasing importance to assess the impact of anthropogenic activities onto the environment. The present study reports for the first time the development and validation of an efficient method for the simultaneous determination of fragrance materials in water samples based on the use of a novel multiwalled carbon nanotubes (MWCNTs)-based solid-phase microextraction coating. Helical MWCNTs were selected as adsorbent material due to their outstanding extraction performance. The multicriteria method of desirability functions allowed the optimization of the exptl. conditions in terms of extraction time and extraction temperature Validation proved the reliability of the method for the determination of the analytes at ultra-trace levels, obtaining detection limits in the 0.2-13 ng/L range, good precision, with relative standard deviations lower than 20% and recovery rates in the 80 ± 12%-111 ± 11%. Superior enrichment factors compared to com. fibers were also calculated Finally, applicability to real sample anal. was demonstrated.

Talanta published new progress about Adsorbents. 6259-76-3 belongs to class esters-buliding-blocks, name is Hexyl 2-hydroxybenzoate, and the molecular formula is C13H18O3, HPLC of Formula: 6259-76-3.

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

Cervellieri, Salvatore’s team published research in Food Chemistry in 2022-07-30 | CAS: 6259-76-3

Food Chemistry published new progress about Durum wheat. 6259-76-3 belongs to class esters-buliding-blocks, name is Hexyl 2-hydroxybenzoate, and the molecular formula is C13H18O3, Recommanded Product: Hexyl 2-hydroxybenzoate.

Cervellieri, Salvatore published the artcileMass spectrometry-based electronic nose to authenticate 100% Italian durum wheat pasta and characterization of volatile compounds, Recommanded Product: Hexyl 2-hydroxybenzoate, the main research area is electronic nose durum wheat pasta volatile compound mass spectrometry; Authentication; Chemometrics; Durum wheat pasta; Geographical origin; MS-based electronic nose; Volatile organic compounds.

Headspace solid-phase microextraction (HS-SPME) coupled with mass spectrometry-based electronic nose (MS-eNose), in combination with multivariate statistical anal. was used as untargeted method for the rapid authentication of 100% Italian durum wheat pasta. Among the tested classification models, i.e. PCA-LDA, PLS-DA and SVMc, SVMc provided the highest accuracy results in both calibration (90%) and validation (92%) processes. Potential markers discriminating pasta samples were identified by HS-SPME/GC-MS anal. Specifically, the content of a pattern of 8 out of 59 volatile organic compounds (VOCs) was significantly different between samples of 100% Italian durum wheat pasta and pasta produced with durum wheat of different origins, most of which were related to different lipidic oxidation in the two classes of pasta. The proposed MS-eNose method is a rapid and reliable tool to be used for authenticating Italian pasta useful to promote its typicity and preserving consumers from fraudulent practices.

Food Chemistry published new progress about Durum wheat. 6259-76-3 belongs to class esters-buliding-blocks, name is Hexyl 2-hydroxybenzoate, and the molecular formula is C13H18O3, Recommanded Product: Hexyl 2-hydroxybenzoate.

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

Jeon, Byoungjun’s team published research in Toxicology In Vitro in 2020-10-31 | CAS: 6259-76-3

Toxicology In Vitro published new progress about Endothelium. 6259-76-3 belongs to class esters-buliding-blocks, name is Hexyl 2-hydroxybenzoate, and the molecular formula is C13H18O3, Application of Hexyl 2-hydroxybenzoate.

Jeon, Byoungjun published the artcileEnhanced predictive capacity using dual-parameter chip model that simulates physiological skin irritation, Application of Hexyl 2-hydroxybenzoate, the main research area is chip model skin irritation endothelium toxicity; Alternative to animal testing; Organ on a chip; Reconstructed human epidermis; Skin irritation; Skin on a chip; Toxicity.

Current alternatives to animal testing methods for skin irritation evaluation such as reconstructed human epidermis models are not fully representing physiol. response caused by skin irritants. Skin irritation is physiol. induced by the dilation and increased permeability of endothelial cells. Thus, our objectives were to mimic physiol. skin irritation using a skin-on-a-chip model and compare predictive capacities with a reconstructed human epidermis model to evaluate its effectiveness. To achieve our goals, the skin-on-a-chip model, consisting of three layers representing the epidermal, dermal and endothelial components, was adapted. Cell viability was measured using the OECD TG 439 protocol for test substance evaluation. The tight junctions of endothelial cells were also observed and measured to assess physiol. responses to test substances. These parameters were used to physiol. evaluate cell-to-cell interactions induced by test substances and quantify model accuracy, sensitivity, and specificity. Based on in vivo data, the classification accuracy of twenty test substances using a dual-parameter chip model was 80%, which is higher than other methods. Besides, the chip model was more suitable for simulating human skin irritation. Therefore, it is important to note that the dual-parameter chip model possesses an enhanced predictive capacity and could serve as an alternative to animal testing for skin irritation.

Toxicology In Vitro published new progress about Endothelium. 6259-76-3 belongs to class esters-buliding-blocks, name is Hexyl 2-hydroxybenzoate, and the molecular formula is C13H18O3, Application of Hexyl 2-hydroxybenzoate.

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

Morales, M. L.’s team published research in Food Research International in 2020-02-29 | CAS: 6259-76-3

Food Research International published new progress about Metabolites. 6259-76-3 belongs to class esters-buliding-blocks, name is Hexyl 2-hydroxybenzoate, and the molecular formula is C13H18O3, SDS of cas: 6259-76-3.

Morales, M. L. published the artcileVolatile metabolites produced by different flor yeast strains during wine biological ageing, SDS of cas: 6259-76-3, the main research area is volatile metabolite yeast strain wine biol aging; Flor yeast; GC-MS analysis; Heatmap; Sherry wine; Volatile compound.

Sherry white wine called Fino is produced by dynamic biol. ageing under the action of flor yeasts using traditional practices aimed at ensuring uniform quality and characteristics over time. These kinds of yeasts provide typical sensory properties to Fino wines. Although there are studies of the volatile composition of these wines submitted to biol. ageing in wood barrels, there is a lack of knowledge on the particular volatile profile produced by different flor yeast strains from Sherry zone wineries. For this reason, the aim of this study was to analyze the volatile profiles produced by 15 pure culture flor velum yeasts, with the goal of observing their suitability for obtaining high quality Fino sherry wines. Volatile composition was determined by dual sequential stir bar sorptive extraction, followed by GC-MS anal. All yeast strains studied produced the increase of most acetals, highlighting acetaldehyde diethylacetal which was the compound that most increased. Among terpenes, nerolidol and farnesol underwent remarkable increases. However, results showed that in a month of biol. ageing, significant differences were observed among the volatile metabolites produced by flor yeast strains studied. Only some of them stood out for their high production of volatile compounds characteristic of Sherry Fino wines, which are good candidates for producing starter cultures.

Food Research International published new progress about Metabolites. 6259-76-3 belongs to class esters-buliding-blocks, name is Hexyl 2-hydroxybenzoate, and the molecular formula is C13H18O3, SDS of cas: 6259-76-3.

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

Pellevoisin, Christian’s team published research in Toxicology In Vitro in 2022-08-31 | CAS: 6259-76-3

Toxicology In Vitro published new progress about Gels. 6259-76-3 belongs to class esters-buliding-blocks, name is Hexyl 2-hydroxybenzoate, and the molecular formula is C13H18O3, COA of Formula: C13H18O3.

Pellevoisin, Christian published the artcileISO 10993-23 In vitro irritation testing for medical devices: Substantiating applicability to mild irritants and non-extractables, COA of Formula: C13H18O3, the main research area is irritation medical device nonextractable; Applicability domain; In vitro; Medical device safety; Mild irritants; Reconstructed human epidermis; Skin irritation.

Irritation testing is an integral part of the biocompatibility assessment of medical devices and has historically been conducted on animals, either by direct contact or with polar and non-polar solvent extracts In 2018 an ISO-sponsored interlaboratory validation study demonstrated that two reconstituted human epidermis (RhE) based assays, which were adapted from validated methods used for industrial chems., produced results essentially equivalent to those obtained with in vivo tests. This led to the publication of the ISO 10993-23:2021 standard on irritation testing, which states that RhE-based assays are now the preferred method. The 2018 validation study evaluated strong irritants, so we tested nine mild irritants (GHS Category 3), neat and spiked at different concentrations into medical device extracts, per ISO 10993-23:2021. The results substantiated the applicability of RhE-based assays for evaluating mild irritants in medical device extracts Moreover, the 2018 validation study tested solid extractable medical device materials but did not consider non-extractable medical device materials (e.g., creams, gels, or sprays). By testing nine marketed non-extractable materials, either neat or spiked with irritants, we also confirmed that RhE-based assays are readily applicable to such medical device materials.

Toxicology In Vitro published new progress about Gels. 6259-76-3 belongs to class esters-buliding-blocks, name is Hexyl 2-hydroxybenzoate, and the molecular formula is C13H18O3, COA of Formula: C13H18O3.

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