Month: December 2022

Zarini, Daniele published the artcileAre In Silico Approaches Applicable As a First Step for the Prediction of e-Liquid Toxicity in e-Cigarettes?, Recommanded Product: Ethyl nonanoate, the main research area is toxicity electronic cigarette liquid QSAR model.

Recent studies have raised concerns about e-cigarette liquid inhalation toxicity by reporting the presence of chems. with European Union CLP toxicity classification. In this scenario, the regulatory context is still developing and is not yet up to date with vaping current reality. Due to the paucity of toxicol. studies, robust data regarding which components in tent. In this study we applied computational methods for studied chems. as a useful tool for predicting the acute toxicity of chems. contained in e-liquids The purpose of t the potential health concerns associated with e-liquid ingredients, (b) to prioritize e-liquid ingredients by calculating the e-tox index, and (c) to estimate acute toxicity of e-liquid mixtures QSAR models were generated using QSARINS software to fill the acute toxicity data gap of 264 e-liquid ingredients. As a second step, the potential acute toxicity of e-liquids mixtures was evaluated. Our preliminary data suggest that a computational approa serve as a roadmap to enable regulatory bodies to better regulate e-liquid composition and to contribute to consumer health protection.

Chemical Research in Toxicology published new progress about Acute toxicity. 123-29-5 belongs to class esters-buliding-blocks, name is Ethyl nonanoate, and the molecular formula is C11H22O2, Recommanded Product: Ethyl nonanoate.

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

Uribe-Echeverria, Teresa published the artcileAcute toxicity of bioplastic leachates to Paracentrotus lividus sea urchin larvae, Formula: C23H46O2, the main research area is Paracentrotus lividus acute toxicity bioplastic leachates; Additives; Bioplastic; Ecotoxicology; Larval bioassay; Microplastic; Paracentrotus lividus; Polyhydroxybutyrate; Polylactic acid.

In an attempt to ensure that bioplastics, progressively replacing petrochem.-derived plastics, do not release any harmful compound to the environment, the study assessed the toxic effects of three innovative bioplastic products: polyhydroxybutyrate resin (PHB), polylactic acid cups (PLA) and a polylactic acid/polyhydroxyalkanoate 3D printing filament (PLA/PHA), together with a synthetic polyvinyl chloride (PVC) toy in Paracentrotus lividus sea urchin larvae. PVC toy was the most toxic material, likely due to the added plasticizers; remarkably, even if PHB is conceived as a nontoxic polymer, it showed a slight toxicity and Gas Chromatog.-Mass Spectometry anal. (GC-MS) revealed the presence of a wide range of additives. Conversely, PLA cups and PLA/PHA filament were innocuous for the larvae, a pos. outcome for these renewable solutions Proven that additives are also used in some bioplastic formulations, they should be carefully addressed to ensure that they are as safe as regarded.

Marine Environmental Research published new progress about Acute toxicity. 929-77-1 belongs to class esters-buliding-blocks, name is Methyl docosanoate, and the molecular formula is C23H46O2, Formula: C23H46O2.

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

Zuriaga, Estefania published the artcileQSAR modelling for predicting the toxic effects of traditional and derived biomass solvents on a Danio rerio biomodel, Computed Properties of 539-88-8, the main research area is Danio biomass tetrahydrofurfuryl alc butyl lactate QSAR modeling; Ecotoxicity; FET (fish embryo test); LC(50); QSAR; Solvents; Teratogenicity.

The increasing interest in the development of ecofriendly solvents has led to the synthesis of benign alternative chems. with minimized environmental impacts. These kinds of chems. are known as Green solvents. In this work, we selected three families of solvents (furfural, lactate and levulinate families) derived from biomass that are structurally related. Most of the previous ecotoxicol. studies of these solvents have focused on invertebrate models such as bacteria, algae and crustaceans. To complete this information, in this work, the acute toxicity of these solvents was studied in Danio rerio (D. rerio). Sublethal and lethal effects were also observed, and the LC50 was obtained. The LC50 values ranged from 13.21 to 12073 mg L-1, with furfural being the most toxic compound and tetrahydrofurfuryl alc. the least toxic. Furthermore, the results indicated that a frequent sublethal effect was heart edema or malformation, even in some cases at concentrations lower than the LC50. A total of 15 mol. descriptors of the solvents were obtained using Gaussian 03 software. Finally, we also used the physicochem. property Log P, calculated from ACD/LogP, for QSAR modeling. Multivariable regression anal. showed that the min. set of independent variables that leads to the best regression is Log P, the energy of the LUMO (ELUMO) and the heat capacity (CV). The proposed model was validated using several internal and external methods.

Chemosphere published new progress about Acute toxicity. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Computed Properties of 539-88-8.

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

Khlifi, Aida published the artcileGas chromatography-mass spectrometry (GM-MS) analysis and biological activities of the aerial part of Cleome amblyocarpa Barr. and Murb, Category: esters-buliding-blocks, the main research area is Cleome aerial part biol activity gas chromatog mass spectrum; Analgesic activity; Cleome amblyocarpa; Flavonoids; GC-MS; Lung cancer; Polyphenols; Toxicity.

Cleome amblyocarpa Barr. and Murb is a medicinal plant widespread in North Africa and widely used in Tunisia to treat diabetes and colic. The non-volatile (polyphenols, flavonoids, tannins, and flavonols) and volatile compounds (GC-MS) of C. amblyocarpa leaves and stems have been studied. The antioxidant, antimicrobial, analgesic, and cytotoxic activities of hydroalcoholic extracts of C. amblyocarpa leaves and stems were also investigated. The major volatile components were β-caryophyllene (46.9%), eugenol (25.6%), Et 3-methylpentanoate (16.2%), 7-epi-silphiperfol-5-ene (11.0%), and α-copaene (7.0%). The antioxidant activity has been evaluated using various in vitro assays, such as DPPH free radical scavenging activity, iron-chelating capability, and ability to inhibit lipid peroxidation (TBARS). The antibacterial and antifungal effectiveness of leaves and stems parts of Cleome amblyocarpa were investigated by means of the disk diffusion and microdilution techniques. The in vitro cytotoxicity of the hydroalcoholic extract of C. amblyocarpa on A549 and H1299 lung adenocarcinoma cells was determined using the crystal violet assay. The acute toxicity of the extracts on Swiss albino mice at the doses of 3000, 1500, and 500 mg/kg body weight was evaluated. The analgesic effect of leaves and stems extract was also determined by means of the acetic acid induced writhing test. The results indicated that the leaves have higher phenols, and flavonoids contents and potential antioxidant, antimicrobial, and anticancer activities in comparison to stem. In addition, the aerial part of C. amblyocarpa did not cause signs of toxicity or death in animals at doses up to 3000 mg/kg and have a significant analgesic activity.

Environmental Science and Pollution Research published new progress about Acute toxicity. 123-29-5 belongs to class esters-buliding-blocks, name is Ethyl nonanoate, and the molecular formula is C11H22O2, Category: esters-buliding-blocks.

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

Ahmad, Mushtaq published the artcilePhytochemical and pharmacological studies on medicinally important plant Opuntia dillenii collected from Pakistan, Safety of Methyl docosanoate, the main research area is Opuntia dillenii medicinal plant phytochem pharmacol study Pakistan.

Keeping in view the numerous useful pharmacol. activities of Opuntia plants, we explored in detail the secondary metabolites and metals in different parts, fatty acids composition of seed oil and a detailed anti-inflammatory study of the cladodes along with acute toxicity studies of Opuntia dillenii collected from Pakistan. Carbohydrates, saponins, tannins, flavonoids, terpenoids and phenols were present in both the cladodes and fruit part. Terpenes and sterols were found in the cladode part while alkaloids were only present in the fruit part. Highest quantity of sodium was found in the same quantity (394.00 ppm) cladodes and fruit while potassium was abundantly present in the fruit part (1543 0.00 ppm). Calcium was present in a very high quantity in the cladodes (11820.00 ppm) and fruit (16419.40 ppm). Linoleic acid, a potent cyclooxygenase-2 (COX-2) inhibitor, was with highest concentration (59.153%) among fatty acids. The crude extract displayed significant anti-inflammatory activity (50.88%) at 300 mg/kg body weight dose after 3h dose injection. Acute toxicity tests confirmed the safety of crude extract to a dose level of up to 1000 mg/kg body weight The present study provides a base to the natural product chemists to carry out further studies on the isolation of the secondary metabolites from Opuntia dillenii and explore the bio-efficacies of the individual compounds

International Journal of Biosciences published new progress about Acute toxicity. 929-77-1 belongs to class esters-buliding-blocks, name is Methyl docosanoate, and the molecular formula is C23H46O2, Safety of Methyl docosanoate.

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

Ahmad, Mushtaq published the artcilePhytochemical and pharmacological studies on medicinally important plant Opuntia dillenii collected from Pakistan, Synthetic Route of 111-11-5, the main research area is Opuntia dillenii medicinal plant phytochem pharmacol study Pakistan.

Keeping in view the numerous useful pharmacol. activities of Opuntia plants, we explored in detail the secondary metabolites and metals in different parts, fatty acids composition of seed oil and a detailed anti-inflammatory study of the cladodes along with acute toxicity studies of Opuntia dillenii collected from Pakistan. Carbohydrates, saponins, tannins, flavonoids, terpenoids and phenols were present in both the cladodes and fruit part. Terpenes and sterols were found in the cladode part while alkaloids were only present in the fruit part. Highest quantity of sodium was found in the same quantity (394.00 ppm) cladodes and fruit while potassium was abundantly present in the fruit part (1543 0.00 ppm). Calcium was present in a very high quantity in the cladodes (11820.00 ppm) and fruit (16419.40 ppm). Linoleic acid, a potent cyclooxygenase-2 (COX-2) inhibitor, was with highest concentration (59.153%) among fatty acids. The crude extract displayed significant anti-inflammatory activity (50.88%) at 300 mg/kg body weight dose after 3h dose injection. Acute toxicity tests confirmed the safety of crude extract to a dose level of up to 1000 mg/kg body weight The present study provides a base to the natural product chemists to carry out further studies on the isolation of the secondary metabolites from Opuntia dillenii and explore the bio-efficacies of the individual compounds

International Journal of Biosciences published new progress about Acute toxicity. 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

Ahmad, Mushtaq published the artcilePhytochemical and pharmacological studies on medicinally important plant Opuntia dillenii collected from Pakistan, Application In Synthesis of 110-42-9, the main research area is Opuntia dillenii medicinal plant phytochem pharmacol study Pakistan.

Keeping in view the numerous useful pharmacol. activities of Opuntia plants, we explored in detail the secondary metabolites and metals in different parts, fatty acids composition of seed oil and a detailed anti-inflammatory study of the cladodes along with acute toxicity studies of Opuntia dillenii collected from Pakistan. Carbohydrates, saponins, tannins, flavonoids, terpenoids and phenols were present in both the cladodes and fruit part. Terpenes and sterols were found in the cladode part while alkaloids were only present in the fruit part. Highest quantity of sodium was found in the same quantity (394.00 ppm) cladodes and fruit while potassium was abundantly present in the fruit part (1543 0.00 ppm). Calcium was present in a very high quantity in the cladodes (11820.00 ppm) and fruit (16419.40 ppm). Linoleic acid, a potent cyclooxygenase-2 (COX-2) inhibitor, was with highest concentration (59.153%) among fatty acids. The crude extract displayed significant anti-inflammatory activity (50.88%) at 300 mg/kg body weight dose after 3h dose injection. Acute toxicity tests confirmed the safety of crude extract to a dose level of up to 1000 mg/kg body weight The present study provides a base to the natural product chemists to carry out further studies on the isolation of the secondary metabolites from Opuntia dillenii and explore the bio-efficacies of the individual compounds

International Journal of Biosciences published new progress about Acute toxicity. 110-42-9 belongs to class esters-buliding-blocks, name is Methyl decanoate, and the molecular formula is C11H22O2, Application In Synthesis of 110-42-9.

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

Arasu, Mariadhas Valan published the artcileEssential oil of four medicinal plants and protective properties in plum fruits against the spoilage bacteria and fungi, Recommanded Product: Methyl octanoate, the main research area is essential oil medicinal plant plum fruit spoilage bacteria fungus.

There are limited studies available regarding the chem. composition of essential oils and their activities against fruit spoilage bacteria and fungi. In this study, chem. composition of essential oils from medicinal plants namely Acorus calamus, Allium sativum, Mucuna pruriens, and Sesamum indicum L showed invitro antibacterial and antifungal properties against fruits spoilage microbes were evaluated. Gas Chromatograph-Mass Spectrometry anal. confirmed the presence of major metabolites namely Hydroxylamine (98.26%), 1,2,4 – trimethoxy-5-1-propenyl (93.07%), Dodecanoic acid, 1,2,3-propanetriyl ester (92.64) and 2-diisoprophylphosphinnoethane (67.97%) from the studied plants. The min. inhibitory concentration of the essential oils against bacteria were ranged from 11.3 ± 2.3 to 617 ± 4.9 μg/mL and fungi were ranged from 1.1 ± 0.4 to 292 ± 3.2 μg/mL, resp. Among the essential oil, Allium sativum showed significant antibacterial activity with least min. inhibitory concentration and min. bactericidal concentrations (11.3 ± 2.3 μg/mL and 24 ± 1.6 μg/mL) while Sesamum indicum oil showed the least activity with high min. inhibitory concentration and min. bactericidal concentrations values (460 ± 11.9 μg/mL and 940 ± 12.8 μg/mL). Interestingly, Allium sativum documented the highest antifungal activity against Penicillium notatum and also significantly inhibited the growth of other tested fungal species such as, Aspergillus niger, Aspergillus flavus and Rhizopus microsporus. Among all tested essential oils, in combination of studied antibiotics, essential oils from Allium sativum showed excellent synergistic activity against seven out of nine spoilage microbes. Two-way anal. of variance showed significant depletion of pathogenic microorganism due to the effect of essential oils (p < 0.05). In addition, essential oil from Allium sativum significantly reduced the growth of Aspertillus flavus and Aspergillus niger on plum fruit. Results revealed the application of essential oil from Allium sativum counter Aspergillus flavus growth and prevented deterioration of plum fruit. Industrial Crops and Products published new progress about Acorus calamus. 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

Bodachivskyi, Iurii published the artcileMetal triflates are tunable acidic catalysts for high yielding conversion of cellulosic biomass into ethyl levulinate, Recommanded Product: Ethyl 4-oxopentanoate, the main research area is metal triflate acidic catalyst ethyl levulinate cellulosic yielding conversion.

Metal triflates and their mixtures with Bronsted acids are excellent catalysts for the selective and high yielding transformation of microcrystalline cellulose into Et levulinate, in ethanol, producing synergistic catalyst effects in some instances. The pretreatment of raw and unrefined cellulosic materials with a deep eutectic solvent enables similarly excellent catalyzed conversion thereof into Et levulinate in superb yield (up to 75%) and selectivity (up to 88%). When using fermentation-derived ethanol, the product possesses 100% renewable content.

Fuel Processing Technology published new progress about Acid catalysis. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Recommanded Product: Ethyl 4-oxopentanoate.

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

Wang, Yue published the artcileDietary supplementation with inulin improves lactation performance and serum lipids by regulating the rumen microbiome and metabolome in dairy cows, Application of Methyl octanoate, the main research area is inulin diet lactation dairy cow serum lipid microbiome metabolome; Dairy cow; Inulin; Metabolomics; Milk quality; Ruminal microbiota; Serum lipid.

This study investigated the effects of inulin on rumen fermentation parameters, ruminal microbiome and metabolites, as well as lactation performance and serum indexes in dairy cows. Sixteen Holstein dairy cows with similar body conditions were randomly divided into 2 groups (n = 8 per group), with inulin addition at 0 and 200 g/d per cow. The experiment lasted for 6 wk, including a 1-wk adaptation period and a 5-wk treatment period. At the end of the exptl. period, the milk, serum and rumen fluid were sampled and analyzed. The microbiome and metabolome in the rumen fluid were analyzed via 16S rRNA sequencing and untargeted metabolomics, resp. The results showed that supplementation with inulin (200 g/d per cow) increased the milk yield (P = 0.001), milk protein (P = 0.032), lactose rate (P = 0.004) and proportion of saturated fatty acids (SFA) in milk (P < 0.001), but decreased the proportion of unsaturated fatty acids (USFA) (P = 0.041). Rumen pH (P = 0.040) and the concentration of NH3-N (P = 0.024) were decreased; however, acetate (P < 0.001), propionate (P = 0.003), butyrate (P < 0.001) and lactic acid (LA) (P = 0.043) were increased. The total cholesterol (TC) (P = 0.008) and triglycerides (TG) (P = 0.01) in serum were also reduced. Addnl., inulin addition elevated the relative abundance of several beneficial symbiotic and short-chain fatty acid (SCFA)-producing bacteria, such as Muribaculaceae (false discovery rate [FDR]-adjusted P < 0.01), Acetitomaculum (FDR-adjusted P = 0.043), and Butyrivibrio (FDR-adjusted P = 0.036), while elevating the levels of L-lysine (FDR-adjusted P = 4.24 x 10-3), L-proline (FDR-adjusted P = 0.0158), and L-phenylalanine (FDR-adjusted P = 0.027). In contrast, several pathogens and ruminal bacteria abundant in high-fat diets, such as Escherichia-Shigella (FDR-adjusted P = 0.022), Erysipelotrichaceae__UCG-004 (FDR-adjusted P < 0.01) and RF39 (FDR-adjusted P = 0.042) were decreased along with the reduction of lysophosphatidylcholine (LysoPC) (18:1 (9Z)) (FDR-adjusted P = 1.03 x 10-3), LysoPC (16:0) (FDR-adjusted P = 0.0108), LysoPC (18:2 (9Z, 12Z)) (FDR-adjusted P = 1.65 x 10-3) and 8-methylnonenoate. In conclusion, dietary inulin supplementation could increase the relative abundance of commensal microbiota and SCFA-producing bacteria, upregulate amino acidmetabolism and downregulate lipid metabolism in the rumen of dairy cows, which might further improve lactation performance and the level of serum lipids. Animal Nutrition published new progress about Acetitomaculum. 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