Month: February 2023

Evaluation of Oxidative Stability of Cupcake Oil: Comparison of Antioxidant Properties of Dracocephalum kotschyi Essential Oil versus TBHQ was written by Hematian Sourki, Abdollah;Pasalar, Hanieh;Ghani, Askar. And the article was included in European Journal of Lipid Science and Technology in 2022.Synthetic Route of C12H20O2 This article mentions the following:

Given the phytochem. properties of Dracocephalum kotschyi, this research considers the effects of adding its essential oil to cupcakes and investigation of the its oil oxidative stability. At first D. kotschyi’s essential oil (DKEO) is identified and measured by GC/MS. The results show that the most important components of DKEO are α-pinene (25.50%), geranial (14.01%), limonene (12.39%), and neral (11.07%). Chem. analyses on pH, acidity, peroxide value, p-Anisidine value, and total oxidation value (TOTOX) show that increasing the concentration of DKEO reduces the oxidation rate and increases the oxidative stability of the cupcake’s oil during storage. Sensory evaluation shows that DKEO used concentration does not have favorable effects on some organoleptic properties of cupcakes. Despite the pos. effects of DKEO on maintaining the oxidative stability of cupcake’s oil during baking and storage, lower concentrations of it are recommended, along with combinatory usages of this essential oil with other commonly used essential oils in the confectionery industry (such as cinnamon, ginger, and cardamom essential oils), whereby consumers can be gradually accustomed to new flavors. The present study introduces the Dracocephalum kotschyi as a rich source of antioxidants. In the present study, valuable data are presented to compare the application of natural antioxidants of D. kotschyi vs. a synthetic antioxidant like tert-butylhydroquinone (TBHQ) in a popular product. In addition, D. kotschyi is introduced as a natural antioxidant potential to the oil industry and oil-dependent food industries, which can not only reduce the nutritional risks of synthetic antioxidants, but also increase the marketability of oil-rich food products. In the experiment, the researchers used many compounds, for example, (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3Synthetic Route of C12H20O2).

(E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Synthetic Route of C12H20O2

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

Rat Metabolism Study Suggests 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic Acid as a Potential Urinary Biomarker of Human Exposure to Representative 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionate Antioxidants was written by Liu, Runzeng;Mabury, Scott A.. And the article was included in Environmental Science & Technology in 2021.Name: 2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate) This article mentions the following:

3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionate antioxidants, a family of synthetic phenolic antioxidants (SPAs) widely used in polymers, have recently been identified in indoor and outdoor environments. However, limited information is available concerning human exposure to these novel contaminants. In the present study, seven 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate antioxidants were analyzed in human urine samples of donors from the United States. None of the target SPAs were initially detected in the urine samples either before or after hydrolysis by β-glucuronidase, prompting us to probe the major metabolites of these SPAs. We conducted rat metabolism studies with two representative congeners, tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate) (AO1010) and N,N’-bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionyl]hydrazine (AO1024). Neither AO1010 nor AO1024 was detected in rat urine, while 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionic acid (fenozan acid) was identified as a urinary biomarker for these 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate antioxidants. Surprisingly, fenozan acid was detected in 88% of the human urine samples before hydrolysis (geometric mean: 0.69 ng/mL) and 98% of the samples after hydrolysis (geometric mean: 10.2 ng/mL), indicating prevalent human exposure to 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate antioxidants. To our knowledge, this is the first study reporting the occurrence of fenozan acid in urine, where it can act as a potential biomarker of human exposure to 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate antioxidants. In the experiment, the researchers used many compounds, for example, 2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate) (cas: 6683-19-8Name: 2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate)).

2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate) (cas: 6683-19-8) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Name: 2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate)

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

Identifying volatile in vitro biomarkers for oral bacteria with proton-transfer-reaction mass spectrometry and gas chromatography-mass spectrometry was written by Roslund, Kajsa;Lehto, Markku;Pussinen, Pirkko;Hartonen, Kari;Groop, Per-Henrik;Halonen, Lauri;Metsala, Markus. And the article was included in Scientific Reports in 2021.Category: esters-buliding-blocks This article mentions the following:

We have measured the volatile fingerprints of four pathogenic oral bacteria connected to periodontal disease and dental abscess: Porphyromonas gingivalis (three sep. strains), Prevotella intermedia, Prevotella nigrescens and Tannerella forsythia. Volatile fingerprints were measured in vitro from the headspace gas of the bacteria cultured on agar. Concrete identification of new and previously reported bacterial volatiles were performed by a combination of solid phase microextraction (SPME) and offline gas chromatog.-mass spectrometry (GC-MS). We also studied the effect of the reduced elec. field strength (E/N) on the fragmentation patterns of bacterial volatiles in online proton-transfer-reaction time-of-flight mass spectrometry (PTR-ToF-MS). We aimed to discover possible new biomarkers for the studied oral bacteria, as well as to validate the combination of GC-MS and PTR-MS for volatile anal. Some of the most promising compounds produced include: 1-Methyl-1,2,3,4-tetrahydroisoquinoline (1MeTIQ), indole, and a cascade of sulfur compounds, such as methanethiol, di-Me disulfide (DMDS) and di-Me trisulfide (DMTS). We also found that several compounds, especially alcs., aldehydes and esters, fragment significantly with the PTR-MS method, when high E/N values are used. We conclude that the studied oral bacteria can be separated by their volatile fingerprints in vitro, which could have importance in clin. and laboratory environments. In addition, using softer ionization conditions can improve the performance of the PTR-MS method in the volatile anal. of certain compounds In the experiment, the researchers used many compounds, for example, Isopentyl 3-methylbutanoate (cas: 659-70-1Category: esters-buliding-blocks).

Isopentyl 3-methylbutanoate (cas: 659-70-1) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Category: esters-buliding-blocks

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

Substituent effects on the McLafferty rearrangement of methyl 4-phenylbutyrates was written by Kingston, David G. I.;Tannenbaum, Harvey P.. And the article was included in Chemical Communications (London) in 1968.Category: esters-buliding-blocks This article mentions the following:

The McLafferty rearrangement of substituted p-RC6H4(CH2)3CO2Me (I) does not obey the standard equation for mass spectrometric reactions, but rather a modified form. The intensity of the radical ion [HOC(:CH2)OMe]· shows a considerable substituent effect based on the fact that substituents alter the relative proportions of mol. ions of I capable of decomposition (with the pos.charge localized on the carbonyl group) and those not capable of decomposition(with the pos. charge delocalized in the aromatic ring). The observed substituent effects are due, therefore, to a combination of a substituent effect on the energy of the transition state leading to the ions formed and a substituent effect on the fraction of mol. ions capable of undergoing rearrangement. In the experiment, the researchers used many compounds, for example, Methyl 4-(4-aminophenyl)butanoate (cas: 20637-09-6Category: esters-buliding-blocks).

Methyl 4-(4-aminophenyl)butanoate (cas: 20637-09-6) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Category: esters-buliding-blocks

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

Long-Chain Modification of the Tips and Inner Walls of MWCNTs and Their Nanocomposite Reverse Osmosis Membranes was written by Li, Qing;Yang, Dengfeng;Liu, Qingzhi;Wang, Jianhua;Ma, Zhun;Xu, Dongmei;Gao, Jun. And the article was included in Membranes (Basel, Switzerland) in 2022.Product Details of 3903-40-0 This article mentions the following:

Multi-walled carbon nanotubes (MWCNTs) were modified on the tips and inner walls by 12-chloro-12-oxododecanedioic acid-Me ester groups and then added to the polyamide composite membranes to prepare MWCNT-CH₂OCOC₁₂H₂₃O₂ membranes for desalination. The characterization results of transmission electron microscopy, Fourier transform, IR transform, and thermogravimetric anal. showed that the 12-chloro-12-oxododecanedioic acid-Me ester group was successfully grafted to the entrances and inner walls of the MWCNTs. The performance of the MWCNTs’ composite membranes was evaluated by SEM, contact angle, and filtration test. The modified membrane morphol. is more uniform, and there is no structural damage. The grafting of carbon nanotubes with Me 12-chloro-12-oxydodecyldicarboxylate could improve the hydrophilicity of the membrane. Under identical conditions, the water flux of MWCNT-CH₂OCOC₁₂H₂₃O₂ membranes was higher than that of the pristine carbon nanotube’s membrane, and the desalination rate was also slightly improved. In the experiment, the researchers used many compounds, for example, 12-Methoxy-12-oxododecanoic acid (cas: 3903-40-0Product Details of 3903-40-0).

12-Methoxy-12-oxododecanoic acid (cas: 3903-40-0) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Product Details of 3903-40-0

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

Synthesis and characterization of poly(ester amide amide)s of different alkylene chain lengths was written by Girard, Clement;Gupta, Manisha;Lallam, Abdelaziz;Anokhin, Denis V.;Bovsunovskaya, Polina V.;Akhyamova, Azaliya F.;Melnikov, Alexey P.;Piryazev, Alexey A.;Rodygin, Alexander I.;Rychkov, Andrey A.;Grafskaya, Kseniia N.;Shabratova, Ekaterina D.;Zhu, Xiaomin;Moller, Martin;Ivanov, Dimitri A.. And the article was included in Polymer Bulletin (Heidelberg, Germany) in 2019.Safety of Dimethyl decanedioate This article mentions the following:

In this work, a series of aliphatic biodegradable poly(ester amide amide) polymers was synthesized by melt polycondensation of a tailor-made amide-containing monomer based on 1,4-diaminobutane and ε-caprolactone and different dicarboxylic acid Me esters with even number of methylene groups. The synthesized polymers were characterized by ¹H NMR, FT-IR spectroscopy, GPC, SAXS and WAXS. DSC results show that the m.p. is located at about 150 °C for all polymers. X-ray scattering experiments in small and wide angles reveal formation of crystals with extended-chain conformation resulting in strict periodicity of electron d. along the main chain. TGA data indicate the high thermal stability of polymers to temperatures above 350 °C, which are much above the m.p. The obtained characteristics of the newly synthesized PEAAs can open new perspectives for melt processing to fabricate films, highly oriented fibers and injection-molded parts with good thermal stability and mech. performance. In the experiment, the researchers used many compounds, for example, Dimethyl decanedioate (cas: 106-79-6Safety of Dimethyl decanedioate).

Dimethyl decanedioate (cas: 106-79-6) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Safety of Dimethyl decanedioate

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

Synthesis of substituted 2-alkylquinolines by visible-light photoredox catalysis was written by Mei, Yousheng;Liu, Jie;Wang, Lei;Li, Pinhua. And the article was included in Organic & Biomolecular Chemistry in 2020.Safety of Ethyl 3-amino-4-methylbenzoate This article mentions the following:

The condensation of anilines RNH₂ (R = 2-methyl-4-chlorophenyl, 4-chlorophenyl, 2-methoxyphenyl, etc.) and alkenyl ethers such as ethoxyethene, (E)-1-ethoxyprop-1-ene, (E)-1-ethoxybut-1-ene has been demonstrated by employing visible-light photoredox catalysis. The resulting method enables the synthesis of substituted 2-alkylquinolines I [R¹ = Me, Et, Pr; R² = H, Me, Et; R³ = H, I, Br, etc.; R⁴ = CN, COOMe, Me, etc.; R⁵ = H, Br, Me, etc.], II (R⁶ = H, CF₃, Et, OMe; R⁷ = H, Cl, Br) under mild and simple conditions with good substrate scope and high yields. In the experiment, the researchers used many compounds, for example, Ethyl 3-amino-4-methylbenzoate (cas: 41191-92-8Safety of Ethyl 3-amino-4-methylbenzoate).

Ethyl 3-amino-4-methylbenzoate (cas: 41191-92-8) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Polyesters are important plastics, with monomers linked by ester moieties. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Safety of Ethyl 3-amino-4-methylbenzoate

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

Bioactive compounds extracted by liquid and supercritical carbon dioxide from citrus peels was written by Romano, Raffaele;De Luca, Lucia;Aiello, Alessandra;Rossi, Danilo;Pizzolongo, Fabiana;Masi, Paolo. And the article was included in International Journal of Food Science and Technology in 2022.Category: esters-buliding-blocks This article mentions the following:

This work investigated the extraction of bioactive compounds from citrus peels, an agri-food waste. Carbon dioxide (CO2), an eco-friendly solvent, was used under liquid and supercritical conditions to perform the extractions from orange, tangerine and lemon peels. The possibility of using ethanol as a cosolvent at small percentages up to 20% was also studied. The extraction yield, total polyphenolic content, individual polyphenolic profile, antiradical activity and volatile organic compounds of the extracts were evaluated. The highest yields were obtained when 20% ethanol was used as a cosolvent in both liquid (at 20 MPa and 20°C) and supercritical (at 30 MPa and 60°C) CO2 extraction In addition, the extracts obtained with liquid CO2 + 20% ethanol showed the highest content of naringin (35.26, 44.05 and 19.86 mg g-1 in orange, tangerine and lemon peel extracts, resp.) and terpenes, in particular limonene. This type of extract also showed the highest antiradical activity (31.78-59.51μmolTE g-1) as measured by both ABTS·+ and DPPH·. These findings show that the extraction with a liquid CO2 and ethanol mixture could be a valid alternative to traditional solvent extraction using 80% less organic solvent and producing extracts with high antiradical capacity and rich in volatile organic compounds In the experiment, the researchers used many compounds, for example, (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3Category: esters-buliding-blocks).

(E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Category: esters-buliding-blocks

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

Amidinyl Radical Formation through Anodic N-H Bond Cleavage and Its Application in Aromatic C-H Bond Functionalization was written by Zhao, Huai-Bo;Hou, Zhong-Wei;Liu, Zhan-Jiang;Zhou, Ze-Feng;Song, Jinshuai;Xu, Hai-Chao. And the article was included in Angewandte Chemie, International Edition in 2017.Reference of 16413-26-6 This article mentions the following:

We report herein an atom-economical and sustainable approach to access amidinyl radical intermediates through the anodic cleavage of N-H bonds. The resulting nitrogen-centered radicals undergo cyclizations with (hetero)arenes, followed by rearomatization, to afford functionalized tetracyclic benzimidazoles, e.g., I (X-rays crystal structure shown), in a highly straightforward and efficient manner. This metal- and reagent-free C-H/N-H cross-coupling reaction exhibits a broad substrate scope and proceeds with high chemoselectivity. In the experiment, the researchers used many compounds, for example, 3-Cyanophenylisocyanate (cas: 16413-26-6Reference of 16413-26-6).

3-Cyanophenylisocyanate (cas: 16413-26-6) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Reference of 16413-26-6

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

A Physical-chemical Synergetic Inhibitor for Coal Spontaneous Combustion and Its Fire Prevention Performance was written by Cai, Jiawen;Yang, Shengqiang;Zhong, Yan;Song, Wanxin;Zheng, Wancheng. And the article was included in Combustion Science and Technology in 2022.Product Details of 6683-19-8 This article mentions the following:

A single phys. or chem. inhibitor can hardly meet the uttermost requirements for coal spontaneous combustion prevention. Therefore, it has become essential to develop an efficient inhibitor with multiple inhibitory properties. In light of studies on the properties of the super absorbent polymer (SAP), the main antioxidant pentaerythritol tetrakys 3-(3,5-ditert-butyl-4-hydroxyphenyl) propionate and auxiliary antioxidant tris (2,4-di-tert-butyl-pheny) phosphite, a synergistic antioxidant with both phys. and chem. inhibitory properties was prepared According to the determination of volatile matter and calorific value of coal, the optimum molar ratio of the compound antioxidant (main antioxidant: auxiliary antioxidant = 2:1) was selected. Furthermore, the optimum formulation ratio (SAP: antioxidant = 1:3) and the optimum mass ratio (12%) were determined, taking the low-temperature oxygen consumption and cross-point temperature (CPT) of coal as indexes. Three grades of metamorphic coal were selected to obtain the gaseous product, oxygen consumption at 70°C, CPTs and inhibition rate. The addition inhibitor reduced the release of CO and C₂H₄ gas and oxygen consumption, while it raised CPTs and inhibition rate of coal oxidation The inhibiting capacity of MgCl₂ is mainly at low-temperature stage, while the synergistic inhibitor has excellent congenerous phys. and chem. effect in the whole coal oxidation process. In the experiment, the researchers used many compounds, for example, 2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate) (cas: 6683-19-8Product Details of 6683-19-8).

2,2-Bis(((3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate) (cas: 6683-19-8) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Product Details of 6683-19-8

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