Tag: M.W=200-250

Serqueira, Dalyelli S. published the artcileOxidative stability and corrosivity of biodiesel produced from residual cooking oil exposed to copper and carbon steel under simulated storage conditions: Dual effect of antioxidants, Safety of Propyl 3,4,5-trihydroxybenzoate, the publication is Renewable Energy (2021), 1485-1495, database is CAplus.

This work investigates the oxidative stability and corrosivity of residual cooking oil (RCO) Me biodiesel exposed to metallic coupons (copper and carbon steel) under simulated storage conditions (static immersion for 90 days within closed vessels) and the effect of antioxidants (tert-butylhydroquinone, curcumin, propylgallate, and butyl-hydroxyanisole) on biodiesel and metallic surfaces. The induction period measured during the experiment showed that all antioxidants retarded biodiesel degradation due to their antioxidant properties. Scanning-electron microscopy and X-ray diffraction of the metallic surfaces revealed the presence of oxides due to the corrosion by biodiesel in absence of antioxidants. Nevertheless, the presence of carbonaceous solids over the metallic surfaces was found which evidences the anticorrosive properties of the antioxidants, confirmed by X-Ray spectroscopy that showed increase in the content of carbon and oxygen on the surfaces. Measurements of corrosion rate also confirmed the anticorrosive action of all antioxidants. Hence, this work shows the dual properties of antioxidants acting as free radical scavengers in the RCO biodiesel as well as corrosive inhibitors, with a special performance of propylgallate, probably due to the presence of more hydroxyl groups in its structure that also may facilitate its interaction with the metallic surface.

Renewable Energy published new progress about 121-79-9. 121-79-9 belongs to esters-buliding-blocks, auxiliary class Natural product, name is Propyl 3,4,5-trihydroxybenzoate, and the molecular formula is C8H15NO, Safety of Propyl 3,4,5-trihydroxybenzoate.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Garcia Lopez, J. published the artcileApplication of molecularly imprinted polymer nanoparticles for degradation of the bacterial autoinducer N-hexanoyl homoserine lactone, Recommanded Product: Benzyl diethylcarbamodithioate, the publication is Chemical Communications (Cambridge, United Kingdom) (2019), 55(18), 2664-2667, database is CAplus and MEDLINE.

A novel bacterial quorum quenching system is presented. For the first time the degradation of N-L-hexanoyl homoserine lactone (C6-AHL), a Gram-neg. quorum sensing autoinducer, has been enhanced using molecularly imprinted nanoparticles (MIP NPs) which were prepared using transition state analog of the γ-lactone ring hydrolysis as template.

Chemical Communications (Cambridge, United Kingdom) published new progress about 3052-61-7. 3052-61-7 belongs to esters-buliding-blocks, auxiliary class Amine,Benzene,Amide, name is Benzyl diethylcarbamodithioate, and the molecular formula is C12H17NS2, Recommanded Product: Benzyl diethylcarbamodithioate.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Degotte, Gilles published the artcilePolyhydroxybenzoic acid derivatives as potential new antimalarial agents, Formula: C10H12O5, the publication is Archiv der Pharmazie (Weinheim, Germany) (2021), 354(11), 2100190, database is CAplus and MEDLINE.

With more than 200 million cases and 400,000 related deaths, malaria remains one of the deadliest infectious diseases of 2021. Unfortunately, despite the availability of efficient treatments, we have observed an increase in people infected with malaria since 2015 (from 211 million in 2015 to 229 million in 2019). This trend could partially be due to the development of resistance to all the current drugs. Therefore, there is an urgent need for new alternatives. We have, thus, selected common natural scaffolds, polyhydroxybenzoic acids, and synthesized a library of derivatives to better understand the structure-activity relationships explaining their antiplasmodial effect. Only gallic acid derivatives showed a noticeable potential for further developments. Indeed, they showed a selective inhibitory effect on Plasmodium (IC₅₀ ∼20μM, SI > 5) often associated with interesting water solubility Moreover, this has confirmed the critical importance of free phenolic functions (pyrogallol moiety) for the antimalarial effect. Me 4-benzoxy-3,5-dihydroxybenzoate (39) has, for the first time, been recognized as a potential lead for future research because of its marked inhibitory activity against Plasmodium falciparum and its significant hydrosoly. (3.72 mM).

Archiv der Pharmazie (Weinheim, Germany) published new progress about 121-79-9. 121-79-9 belongs to esters-buliding-blocks, auxiliary class Natural product, name is Propyl 3,4,5-trihydroxybenzoate, and the molecular formula is C10H12O5, Formula: C10H12O5.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Zhou, Chi published the artcileCharacteristics of Metabolites by Seed-Specific Inhibition of FAD2 in Brassica napus L, Related Products of esters-buliding-blocks, the publication is Journal of Agricultural and Food Chemistry (2021), 69(19), 5452-5462, database is CAplus and MEDLINE.

Fatty acid desaturase-2 (FAD2) is a key enzyme in the production of polyunsaturated fatty acids in plants. RNAi technol. can reduce the expression of FAD2 genes in Brassica napus seeds and acquire transgenic B. napus plants with a high oleic acid content, but the effect of seed-specific inhibition of FAD2 expression on B. napus seed metabolites is not clear. Here we use widely targeted metabolomics to investigate the metabolites of normal-oleic-acid rapeseed (OA) and high-oleic-acid rapeseed (HOA) seeds, resulting in a total of 726 metabolites being detected. Among them, 24 differential metabolites were significantly downregulated and 88 differential metabolites were significantly upregulated in HOA rapeseed. In further lipid profile experiments, more lipids in B. napus seeds were accurately quantified. The contents of glycolipids and phospholipids that contain C18:1 increased significantly and C18:2 decreased because FAD2 expression was inhibited. The changes in the expression of key genes in related pathways were also consistent with the changes in metabolites. The insertion site of the ihpRNA plant expression vector was reconfirmed through genomewide resequencing, and the transgenic event did not change the sequence of FAD2 genes. There was no significant difference in the germination rate and germination potential between OA and HOA rapeseed seeds because the seed-specific ihpRNA plant expression vector did not affect other stages of plant growth. This work provides a theor. and practical guidance for subsequent mol. breeding of high OA B. napus.

Journal of Agricultural and Food Chemistry published new progress about 121-79-9. 121-79-9 belongs to esters-buliding-blocks, auxiliary class Natural product, name is Propyl 3,4,5-trihydroxybenzoate, and the molecular formula is C6H12Br2, Related Products of esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Kim, Dong Hee published the artcileSynthesis of a ¹³C-labeled oligomer: solid-state NMR and theoretical studies, Formula: C15H14O3, the publication is Bulletin of the Korean Chemical Society (2001), 22(12), 1289-1290, database is CAplus.

The synthetic pathway, starting from poly(ethylene glycol) monomethyl ether (n = 12) and 4-Br-4′-OH-biphenyl via carboxylation of biphenyl with labeled CO₂ and the ¹H and ¹³C NMR characteristics of the ¹³C-labeled 12-4 oligomer (Me- and ethoxycarbonylbiphenyloxycarbonylbiphenyloxy-terminated dodeca(ethylene glycol) with labeled terminating carbonyl group) are reported. Ab initio NMR calculations were performed and exptl. and theor. spectra are discussed with respect to conformational and dynamic aspects.

Bulletin of the Korean Chemical Society published new progress about 50670-76-3. 50670-76-3 belongs to esters-buliding-blocks, auxiliary class Benzene,Phenol,Ester, name is Ethyl 4′-hydroxy-[1,1′-biphenyl]-4-carboxylate, and the molecular formula is C15H14O3, Formula: C15H14O3.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Liu, Huanxiang published the artcileIn silico screening of estrogen-like chemicals based on different nonlinear classification models, Related Products of esters-buliding-blocks, the publication is Journal of Molecular Graphics & Modelling (2007), 26(1), 135-144, database is CAplus and MEDLINE.

Increasing concern is being shown by the scientific community, government regulators, and the public about endocrine-disrupting chems. that are adversely affecting human and wildlife health through a variety of mechanisms. There is a great need for an effective means of rapidly assessing endocrine-disrupting activity, especially estrogen-simulating activity, because of the large number of such chems. in the environment. In this study, quant. structure activity relationship (QSAR) models were developed to quickly and effectively identify possible estrogen-like chems. based on 232 structurally-diverse chems. (training set) by using several nonlinear classification methodologies (least-square support vector machine (LS-SVM), counter-propagation artificial neural network (CP-ANN), and k nearest neighbor (kNN)) based on mol. structural descriptors. The models were externally validated by 87 chems. (prediction set) not included in the training set. All three methods can give satisfactory prediction results both for training and prediction sets, and the most accurate model was obtained by the LS-SVM approach through the comparison of performance. In addition, our model was also applied to about 58,000 discrete organic chems.; about 76% were predicted not to bind to estrogen receptor. The obtained results indicate that the proposed QSAR models are robust, widely applicable and could provide a feasible and practical tool for the rapid screening of potential estrogens.

Journal of Molecular Graphics & Modelling published new progress about 50670-76-3. 50670-76-3 belongs to esters-buliding-blocks, auxiliary class Benzene,Phenol,Ester, name is Ethyl 4′-hydroxy-[1,1′-biphenyl]-4-carboxylate, and the molecular formula is C15H14O3, Related Products of esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Roh, Gwang Hyun published the artcileElectrophysiological and behavioral activities of sex pheromone and structurally related compounds in lightbrown apple moth, Epiphyas postvittana, Synthetic Route of 16974-11-1, the publication is Chemoecology (2022), 32(1), 1-13, database is CAplus.

Species-specific pheromone communication in moths is often achieved by the precise control of the production of a multi-component sex pheromone blend in females and selective perception of pheromone compounds in males. Reproductive isolation mediated by sex pheromone can be enhanced by the sensitive detection of structurally related non-pheromone components that are not used as pheromone in the same species but used as pheromone components in similar species. Here, we identified several unsaturated aliphatic acetates inhibiting the attraction of male moths to conspecific female sex pheromone in the lightbrown apple moth, Epiphyas postvittana (Walker) (Lepidoptera: Tortricidae), through electroantennogram (EAG) and field trapping studies. In EAG screening with 46 pheromone and structurally related compounds, eleven compounds exhibited significant male-specific EAG responses at 1 μg dose. The EAG-active compounds were mainly mono- or di-unsaturated 14-carbon acetates. In subsequent field trapping tests to evaluate the behavioral activities of the EAG-active compounds on male attraction to the binary blend (E11-14:Ac + E9E11-14:Ac) of female sex pheromone of E. postvittana, each of nine compounds (E9-12:Ac, Z9-12:Ac, E9-14:Ac, Z9-14:Ac, Z10-14:Ac, Z11-14:Ac, Z12-14:Ac, Z9E11-14:Ac and Z9E12-14:Ac) displayed clear inhibition of male moths to the sex pheromone blend in a dose-dependent manner. Our findings provide useful information in understanding the pheromone communication system of E. postvittana and related species.

Chemoecology published new progress about 16974-11-1. 16974-11-1 belongs to esters-buliding-blocks, auxiliary class Aliphatic Chain, name is (Z)-Dodec-9-en-1-yl acetate, and the molecular formula is C14H26O2, Synthetic Route of 16974-11-1.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Blom van Staden, Analike published the artcileThe effect of Aspalathus linearis (Burm.f.) R.Dahlgren and its compounds on tyrosinase and melanogenesis, Computed Properties of 121-79-9, the publication is Scientific Reports (2021), 11(1), 7020, database is CAplus and MEDLINE.

Pigmentation, a process controlled by melanogenesis, plays a vital role in protecting the skin against harmful UV rays. The level of protection is compromised in case of hypopigmentation. This study aimed to evaluate an Aspalathus linearis extract, fractions and phytoconstituents, for their efficacy on melanogenesis stimulation. Fifteen compounds were kinetically assessed against tyrosinase; the rate-limiting enzyme of melanogenesis. Aspalathin and catechin significantly (p value < 0.001) increased the enzymic rate, showing 50% stimulatory effects at 119.70 ± 2.06μg/mL and 143.30 ± 2.74μg/mL, resp., by acting as subversive substrates. Five compounds inhibited the enzyme’s activity, of which four exhibited competitive inhibition. To investigate the mol. interactions between the compounds and the active site, mol. docking was done, using tyrosinase (PBD: 2Y9X) and tyrosinase related protein 1 (PBD: 5M8P). All the compounds docked successfully with acceptable docking scores. Further quant. structure-activity relationship anal. identified potential functional groups, linked to the specific activity. The crude extract, its fractions, and compounds exhibited low antiproliferative activity with 50% cell viability at concentrations higher than 100μg/mL. Finally, both aspalathin and catechin exhibited a significant increase (4.5%) in melanin production at 119.82μg/mL and 76.92μg/mL, resp. This is the first report of A. linearis’ compounds on skin re-pigmentation.

Scientific Reports published new progress about 121-79-9. 121-79-9 belongs to esters-buliding-blocks, auxiliary class Natural product, name is Propyl 3,4,5-trihydroxybenzoate, and the molecular formula is C10H12O5, Computed Properties of 121-79-9.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Nakazono, Manabu published the artcileStrongly Chemiluminescent Acridinium Esters under Neutral Conditions: Synthesis, Properties, Determination, and Theoretical Study, COA of Formula: C15H14O3, the publication is Journal of Organic Chemistry (2017), 82(5), 2450-2461, database is CAplus and MEDLINE.

Various novel acridinium ester derivatives having Ph and biphenyl moieties were synthesized and their optimal chemiluminescence conditions were investigated. Several strongly chemiluminescent acridinium esters under neutral conditions were found and then these derivatives were used to detect hydrogen peroxide and glucose. Acridinium esters having strong electron-withdrawing groups such as cyano, methoxycarbonyl and nitro groups at the 4-position of the Ph moiety in Ph 10-methyl-10λ⁴-acridine-9-carboxylate, trifluoromethane-sulfonate salt showed strong chemiluminescence intensities. The chemiluminescence intensity of 3,4-dicyanophenyl 10-methyl-10λ⁴-acridine-9-carboxylate, trifluoromethanesulfonate salt was approx. 100 times stronger than that of Ph 10-methyl-10λ⁴-acridine-9-carboxylate, trifluoromethanesulfonate salt at pH 7. The linear calibration ranges of hydrogen peroxide and glucose were 0.05-10 mM and 10-2000 μM using 3,4-(dimethoxycarbonyl)phenyl 10-methyl-10λ⁴-acridine-9-carboxylate, trifluoromethane-sulfonate salt at pH 7 and pH 7.5, resp. The proposed chemiluminescence reaction mechanism of acridinium ester via a dioxetanone structure was evaluated via quantum chem. calculation on d. functional theory. The proposed mechanism was composed of the nucleophilic addition reaction of hydroperoxide anion, the dioxetanone ring formation and nonadiabatic transition due to spin-orbit coupling around the transition state (TS) to the triplet state (T1) following the decomposition-pathway. The TS which appeared in the thermal decomposition would be a rate-determining step for all three processes.

Journal of Organic Chemistry published new progress about 50670-76-3. 50670-76-3 belongs to esters-buliding-blocks, auxiliary class Benzene,Phenol,Ester, name is Ethyl 4′-hydroxy-[1,1′-biphenyl]-4-carboxylate, and the molecular formula is C15H14O3, COA of Formula: C15H14O3.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics

Kuriyama, Akira published the artcileLiving radical polymerization of methyl methacrylate with a tetrafunctional photoiniferter: synthesis of a star polymer, Related Products of esters-buliding-blocks, the publication is Polymer Journal (Tokyo, Japan) (1984), 16(6), 511-14, database is CAplus.

The radical polymerization of Me methacrylate is described using 1,2,4,5-tetrakis(N,N-diethyldithiocarbamylmethyl)benzene  [92687-20-2] as a tetrafunctional photoiniferter and compared with that using benzyl N,N-diethyldithiocarbamate  [3052-61-7] and p-xylylene bis(N,N-diethyldithiocarbamate) [89964-93-2]. Fractionation results confirmed the formation of star polymers.

Polymer Journal (Tokyo, Japan) published new progress about 3052-61-7. 3052-61-7 belongs to esters-buliding-blocks, auxiliary class Amine,Benzene,Amide, name is Benzyl diethylcarbamodithioate, and the molecular formula is C12H17NS2, Related Products of esters-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics