Category: 6259-76-3

Cazares-Samaniego, Paulina J. published the artcileVolatilome and Essential Oil of Ulomoides dermestoides: A Broad-Spectrum Medical Insec, Category: esters-buliding-blocks, the main research area is Ulomoides volatilome essential oil; GC-MS; HS-SPME; PBET; Ulomoides dermestoides; VOCs; essential oils; insect.

Ulomoides dermestoides are used as a broad-spectrum medical insect in the alternative treatment of various diseases. Preliminary volatilome studies carried out to date have shown, as the main components, methyl-1,4-benzoquinone, ethyl-1,4-benzoquinone, 1-tridecene, 1-pentadecene, and limonene. This work focused on the production of metabolites and their metabolic variations in U. dermestoides under stress conditions to provide addnl. valuable information to help better understand the broad-spectrum medical uses. To this end, VOCs were characterized by HS-SPME with PEG and CAR/PDMS fibers, and the first reported insect essential oils were obtained. In HS-SMPE, we found 17 terpenes, six quinones, five alkenes, and four aromatic compounds; in the essential oils, 53 terpenes, 54 carboxylic acids and derivatives, three alkynes, 12 alkenes (1-Pentadecene, EOT1: 77.6% and EOT2: 57.9%), 28 alkanes, nine alkyl disulfides, three aromatic compounds, 19 alcs., three quinones, and 12 aldehydes were identified. Between both study approaches, a total of 171 secondary metabolites were identified with no previous report for U. dermestoides. A considerable number of the identified metabolites showed previous studies of the activity of pharmacol. interest. Therefore, considering the wide variety of activities reported for these metabolites, this work allows a broader vision of the therapeutic potential of U. dermestoides in traditional medicine.

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

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

Tourneix, Fleur published the artcileAssessment of a defined approach based on a stacking prediction model to identify skin sensitization hazard, Product Details of C13H18O3, the main research area is defined approach stacking model skin sensitization sensitizer safety assessment; Defined approach; Hazard identification; In silico; In vitro; Risk assessment; Skin sensitization.

Skin sensitization is an important toxicol. endpoint in the safety assessment of chems. and cosmetic ingredients. Driven by ethical considerations and European Union (EU) legislation, its assessment has progressed from the reliance on traditional animal models to the use of non-animal test methods. It is generally accepted that the assessment of skin sensitization requires the integration of various non-animal test methods in defined approaches (DAs), to cover the mechanistic key events of the adverse outcomes pathway (AOP) (OECD, 2014). Several case studies for DAs predicting skin sensitization hazard or potency have been submitted to the OECD, including a stacking meta-model developed by L’Oreál Research & Innovation (OECD, 2017b; Del Bufalo et al., 2018; Nocairi et al., 2016). The present study evaluated the predictive performance of the defined approach integrating a stacking meta-model incorporating in silico, in chemico and in vitro assays, using the Cosmetics Europe (CE) skin sensitization database. Based on the optimized prediction cut-offs, the defined approach provided a hazard prediction for 97 chems. with a sensitivity of 91%, a specificity of 76% and accuracy of 86% (kappa of 0.67) against human skin sensitization hazard data and a sensitivity of 85%, specificity of 91% and accuracy of 87% (kappa of 0.67) against Local Lymph Node Assay (LLNA) hazard data. A comparison of the in vivo LLNA with human hazard data for the same 97 chems. showed a sensitivity of 92%, specificity of 51% and accuracy of 78% (kappa of 0.48). Thus, the defined approach showed a higher degree of concordance, as compared to the LLNA for predicting human skin sensitization hazard. Moreover, a comparison with the six DAs selected for evaluation of their predictivity in the study by Kleinstreuer et al. (2018) showed a similar high accuracy of 86% for 97 overlapping chems. The next step will be an independent evaluation of the DA for its integration in the performances based test guidelines for skin sensitization.

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

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

Bergal, Mathilde published the artcileIn vitro testing strategy for assessing the skin sensitizing potential of “”difficult to test”” cosmetic ingredients, Application of Hexyl 2-hydroxybenzoate, the main research area is skin sensitization cosmetic.

Before placing a new cosmetic ingredient on the market, manufacturers must establish its safety profile, in particular assessing the skin sensitization potential, which is a mandatory requirement for topical applications. Since the ban on animal testing in Europe, and its extension to many parts of the world, a battery of in vitro tests covering the key steps of the Adverse Outcome Pathway (AOP) for skin sensitization is recommended. To date, three in vitro methods are validated in the OECD guidelines (442C, 442D, 442E), and many others are under validation by OECD (2019) and ECVAM. However, there is still no official strategy. Some industrial manufacturers have proposed in vitro strategies with good predictivity, but their studies were mainly based on the testing of simple and “”easy to test”” substances. This work therefore focused on “”difficult to test”” ingredients with particular physicochem. properties (i.e. poorly water-soluble components) or with particular intrinsic properties placing them outside the applicability domains of most in vitro models (irritants or cytotoxic like surfactants, complex substances). Furthermore a particular focus was made on weak to moderate sensitizers. The objective was to develop a robust, quick and straightforward testing strategy enabling the evaluation of the skin sensitization potential of “”difficult to test”” ingredients. In this context, four in vitro test models were used: three validated methods and the Sens-Is assay, currently in the work plan of the OECD, chosen for its ability to overcome solubility issues and to discriminate irritants from sensitizers. 25 ingredients with particular physicochem. properties were evaluated, chosen among pos. or neg. sensitizers according to in vivo data (M&K and/or LLNA). Such ingredients, including cleansers, solubilizers, emulsifiers, emollients, active ingredients, preservatives, and antioxidants are indeed essential constituents of cosmetic and dermopharmaceutical formulations. The results anal. on each in vitro test demonstrated that the DPRA model was the less predictive on the chosen ingredients, resulting especially in many false neg. responses compared to animal studies, or being unsuited to the mode of action of the selected ingredients. On the contrary, the Sens-Is assay revealed a real capability to discriminate sensitizers from non-sensitizers. The two other models, KeratinoSensTM and h-CLAT, showed a lower ability to classify the materials correctly than in previously published studies, linked to the particular physicochem. and intrinsic properties of the chosen ingredients and the applicability domains of these in vitro tests. The KeratinoSensTM model tended to overestimate the sensitization potential of the tested ingredients, whereas the h-CLAT model tended to underestimate the sensitizers. Based on these results a new sequential testing strategy was set up combining 1 to 3 models to cover the main key events of the skin sensitization AOP. Sens-Is model, assessing the first two AOP Key Events with consideration of the ingredient dermal penetration, is chosen as a starting point. The approach is completed, depending on the first response, by the h-CLAT model, assessing Key Event 3, and then potentially KeratinoSensTM assessing Key Event 2, but with a more direct application mode. This new testing strategy increases the accuracy to 88% on the selected ingredients and minimizes the risk of a false neg. conclusion, which is crucial from the perspective of the ingredients′ users and cosmetic consumers.

Toxicology In Vitro published new progress about Allergy. 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

Ivic, Ivana published the artcileConcentration with nanofiltration of red wine cabernet sauvignon produced from conventionally and ecologically grown grapes: effect on volatile compounds and chemical composition, COA of Formula: C13H18O3, the main research area is volatile compound red wine cabernet sauvignon grape nanofiltration; Cabernet Sauvignon red wine; chemical composition; conventional wine; ecological wine; elements concentration; nanofiltration; volatile compounds.

Ecol. viticulture represent an upward trend in many countries. Unlike conventional viticulture, it avoids the use of chem. fertilizers and other additives, minimizing the impact of chems. on the environment and human health. The aim of this study was to investigate the influence of nanofiltration (NF) process on volatiles and chem. composition of conventional and ecol. Cabernet Sauvignon red wine. The NF process was conducted on laboratory Alfa Laval LabUnit M20 (De Danske Sukkerfabrikker, Nakskov, Denmark) equipped with six NF M20 membranes in a plate module, at two temperature regimes, with and without cooling and four pressures (2.5, 3.5, 4.5 and 5.5 MPa). Different processing parameters significantly influenced the permeate flux which increased when higher pressure was applied. In initial wines and obtained retentates, volatile compounds, chem. composition and elements concentration were determined The results showed that the higher pressure and retentate cooling was more favorable for total volatiles retention than lower pressure and higher temperature Individual compound retention depended on its chem. properties, applied processing parameters and wine composition Nanofiltration process resulted in lower concentrations of ethanol, acetic acid (>50%), 4-ethylphenol and 4-ethylguaiacol (>90%). Different composition of initial feed (conventional and ecol. wine) had an important impact on retention of elements.

Membranes (Basel, Switzerland) published new progress about Acidity. 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

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 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. 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

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. 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

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