Category: esters-buliding-blocks

An article Synthesis, Structural Features, and Hydrogen Adsorption Properties of Three New Flexible Sulfur-Containing Metal-Organic Frameworks WOS:000580511100048 published article about COORDINATION POLYMERS; STORAGE; LIGAND; CO2; SORPTION; LUMINESCENT; SELECTIVITY; MOLECULES in [Montes-Andres, Helena; Orcajo, Gisela; Martos, Carmen; Angel Botas, Juan; Calleja, Guillermo] Rey Juan Carlos Univ, Dept Chem Energy & Mech Technol, Mostoles 28933, Spain; [Leo, Pedro] Rey Juan Carlos Univ, Dept Chem & Environm Technol, Mostoles 28933, Spain; [Rodriguez-Dieguez, Antonio] Univ Granada, Dept Inorgan Chem, Granada, Spain; [Choquesillo-Lazarte, Duane] Univ Granada, Lab Estudios Cristalograf, IACT, CSIC, Granada 18100, Spain in 2020, Cited 62. Recommanded Product: Dimethyl 5-aminoisophthalate. The Name is Dimethyl 5-aminoisophthalate. Through research, I have a further understanding and discovery of 99-27-4

Three novel flexible sulfur-containing MOF materials named Co-URJC-5, Cu-URJC-6 and Zn-URJC-7, based on the 5,5′-thiodiisophthalic acid linker have been synthesized through solvothermal methods and characterized by different physicochemical techniques. Hydrogen adsorption analysis at room temperature reveals that these compounds display a gate-opening type adsorption mechanism at low pressures, attributed to the flexible nature of the H4TBTC ligand. This behavior is even more noticeable for Cu-URJC-6, since the layer arrangement by p-p stacking interactions between the aromatic layers could contribute to the flexibility of the structure. These results can be considered as a representative example to elucidate how MOF structures are built using flexible ligands and more significantly as a promising route for designing materials with selective gas sorption properties.

Recommanded Product: Dimethyl 5-aminoisophthalate. About Dimethyl 5-aminoisophthalate, If you have any questions, you can contact Montes-Andres, H; Leo, P; Orcajo, G; Rodriguez-Dieguez, A; Choquesillo-Lazarte, D; Martos, C; Botas, JA; Calleja, G or concate me.

Reference:
Patent; ASTRA ZENECA AB; NPS PHARMACEUTICALS, INC.; WO2004/14881; (2004); A2;,
Ester – Wikipedia,
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Recently I am researching about GENDER-RELATED DIFFERENCES; PRESERVED EJECTION FRACTION; OUTCOMES; MANAGEMENT; AGE; INSIGHTS; IMPACT, Saw an article supported by the National Institutes of Health/National Heart, Lung, and Blood Institute (NIH/NHLBI)United States Department of Health & Human ServicesNational Institutes of Health (NIH) – USANIH National Heart Lung & Blood Institute (NHLBI) [K23HL123533]; British Heart FoundationBritish Heart Foundation [PG/13/17/30050]; Fulbright Association; Gentofte Hospital in Denmark. SDS of cas: 103-26-4. Published in WILEY PERIODICALS, INC in SAN FRANCISCO ,Authors: Espersen, C; Campbell, RT; Claggett, B; Lewis, EF; Groarke, JD; Docherty, KF; Lee, MMY; Lindner, M; Biering-Sorensen, T; Solomon, SD; McMurray, JJV; Platz, E. The CAS is 103-26-4. Through research, I have a further understanding and discovery of Methyl 3-phenyl-2-propenoate

Aims We sought to examine sex differences in congestion in patients hospitalized for acute heart failure (AHF). Understanding congestive patterns in women and men with AHF may provide insights into sex differences in the presentation and prognosis of AHF patients. Methods and results In a prospective, two-site study in adults hospitalized for AHF, four-zone lung ultrasound (LUS) was performed at the time of echocardiography at baseline (LUS1) and, in a subset, pre-discharge (LUS2). B-lines on LUS and echocardiographic images were analysed offline, blinded to clinical information and outcomes. Among 349 patients with LUS1 data (median age 74, 59% male, and 87% White), women had higher left ventricular ejection fraction (mean 43% vs. 36%, P < 0.001), higher tricuspid annular plane systolic excursion (mean 17 vs. 15 mm, P = 0.021), and higher measures of filling pressures (median E/e' 20 vs. 16, P < 0.001). B-line number on LUS1 (median 6 vs. 6, P = 0.69) and admission N-terminal pro-B-type natriuretic peptide levels (median 3932 vs. 3483 pg/ml, P = 0.77) were similar in women and men. In 121 patients with both LUS1 and LUS2 data, there was a similar and significant decrease in B-lines from baseline to discharge in both women and men. The risk of the composite 90 day outcome increased with higher B-line number on four-zone LUS2: unadjusted hazard ratio for each B-line tertile was 1.86 (95% confidence interval 1.08-3.20, P = 0.025) in women and 1.65 (95% confidence interval 1.03-2.64, P = 0.037) in men (interaction P = 0.72). Conclusions Among patients with AHF, echocardiographic markers differed between women and men at baseline, whereas B-line number on LUS did not. The dynamic changes in B-lines during a hospitalization for AHF were similar in women and men. About Methyl 3-phenyl-2-propenoate, If you have any questions, you can contact Espersen, C; Campbell, RT; Claggett, B; Lewis, EF; Groarke, JD; Docherty, KF; Lee, MMY; Lindner, M; Biering-Sorensen, T; Solomon, SD; McMurray, JJV; Platz, E or concate me.. SDS of cas: 103-26-4

Reference:
Article; Weng, Shiue-Shien; Ke, Chih-Shueh; Chen, Fong-Kuang; Lyu, You-Fu; Lin, Guan-Ying; Tetrahedron; vol. 67; 9; (2011); p. 1640 – 1648;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Formula: C10H10O2. In 2020.0 DALTON T published article about N-HETEROCYCLIC CARBENES; TRANSITION-METAL-COMPLEXES; BETA-BORATION; STERIC PROPERTIES; LIGANDS; NHC; BEARING; CYCLOADDITION; SUBSTITUTION; REACTIVITY in [Haraguchi, Ryosuke] Chiba Inst Technol, Fac Engn, Dept Appl Chem, 2-17-1 Tsudanuma, Narashino, Chiba 2750016, Japan; [Yamazaki, Tatsuro; Torita, Koki; Ito, Tatsuki; Fukuzawa, Shin-ichi] Chuo Univ, Inst Sci & Engn, Dept Appl Chem, Bunkyo Ku, 1-13-27 Kasuga, Tokyo 1128551, Japan in 2020.0, Cited 80.0. The Name is Methyl 3-phenyl-2-propenoate. Through research, I have a further understanding and discovery of 103-26-4.

1,2,3-Triazol-5-ylidenes have recently attracted considerable attention as versatile ligands because of their strong electron-donating properties and structural diversities. While some efforts have been devoted to the development of chiral triazolylidene-metal complexes, there is no example achieving asymmetric induction by base-metal complexes with triazolylidene ligands. Herein, we synthesized planar-chiral ferrocene-based triazolylidene copper complexes, which enabled the asymmetric borylation of methyl cinnamate with bis(pinacolato)diboron with good enantioselectivity.

Formula: C10H10O2. About Methyl 3-phenyl-2-propenoate, If you have any questions, you can contact Haraguchi, R; Yamazaki, T; Torita, K; Ito, T; Fukuzawa, S or concate me.

Reference:
Article; Weng, Shiue-Shien; Ke, Chih-Shueh; Chen, Fong-Kuang; Lyu, You-Fu; Lin, Guan-Ying; Tetrahedron; vol. 67; 9; (2011); p. 1640 – 1648;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

I found the field of Chemistry very interesting. Saw the article FMPhos: Expanding the Catalytic Capacity of Small-Bite-Angle Bisphosphine Ligands in Regioselective Alkene Hydrofunctionalizations published in 2020.0. Quality Control of 6H-Benzo[c]chromen-6-one, Reprint Addresses Dong, GB (corresponding author), Univ Chicago, Dept Chem, Chicago, IL 60637 USA.. The CAS is 2005-10-9. Through research, I have a further understanding and discovery of 6H-Benzo[c]chromen-6-one

In contrast to the plethora of large-bite-angle bisphosphine ligands available to transition-metal catalysis, the development of small-bite-angle bisphosphine ligands has suffered from the limited structural variations accessible on their single-atom-containing backbones. Herein, we report the design and applications of a discrete very small bite-angle bisphosphine ligand, namely, FMPhos. Featuring a fluorene-methylene unit appended on the single-carbon linker, the ligand harbors an unusually rigid backbone that presumably stabilizes its complexation with transition metals during catalysis. Compared with the known dppm ligand, it exhibited superior reactivity and regioselectivity in a number of alkene hydrofunctionalization reactions, catalyzed by iridium and rhodium.

Quality Control of 6H-Benzo[c]chromen-6-one. About 6H-Benzo[c]chromen-6-one, If you have any questions, you can contact Chen, XY; Zhou, XK; Wang, JC; Dong, GB or concate me.

Reference:
Article; Zhang, Jian; Shi, Dongdong; Zhang, Haifeng; Xu, Zheng; Bao, Hanyang; Jin, Hongwei; Liu, Yunkui; Tetrahedron; vol. 73; 2; (2017); p. 154 – 163;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

An article Highly Efficient Bifunctional Amide Functionalized Zn and Cd Metal Organic Frameworks for One-Pot Cascade Deacetalization-Knoevenagel Reactions WOS:000494742900001 published article about ACID; CATALYSIS; MOFS in [Karmakar, Anirban; Paul, Anup; Rubio, Guilherme M. D. M.; Soliman, Mohamed M. A.; Fatima, M.; Guedes da Silva, C.; Pombeiro, Armando J. L.] Univ Lisbon, Inst Super Tecn, Ctr Quim Estrutural, Lisbon, Portugal in 2019, Cited 31. The Name is Dimethyl 5-aminoisophthalate. Through research, I have a further understanding and discovery of 99-27-4. Safety of Dimethyl 5-aminoisophthalate

A pyridine-based amide functionalized tetracarboxylic acid, 5,5 ‘-(pyridine-2, 6-dicarbonyl)bis(azanediyl)}diisophthalic acid (H4L), was synthesized and its coordination chemistry toward zinc(II) and cadmium(II) ions was studied. The reactions of H4L with Zn(NO3)(2).6H(2)O and Cd(NO3)(2).4H(2)O led to its full or partial deprotonation, respectively, and the formation of the 2D coordination polymers [Zn-2(L)(H2O)(4)](n).4n(H2O) (1) and [Cd-3(HL)(2)(DMF)(4)](n).4n(DMF) (2) (DMF = N,N’-dimethylformamide), respectively. They were characterized by elemental analysis, FT-IR, photoluminescence, thermogravimetry, and single-crystal and powder X-ray diffraction. In 1, the L4- ligand is planar with every carboxylate anion binding a Zn(II) cation and giving rise to a 2D grid with the metals with tetrahedral environments. In 2, the combination of bridging HL3- and dimethylformamide to form trinuclear Cd(II) clusters engenders secondary building block units and generates a layer-type 2D network with the metals with octahedral and pentagonal bipyramid coordination geometries. The topological analyses of 1 and 2 reveal 2,4-connected and 3,6-connected binodal nets, respectively. On account of the presence of Lewis acid (Zn or Cd centers) as well as basic (uncoordinated pyridine and amide groups) sites, 1 and (to a much lower extent) 2 effectively catalyze the one-pot cascade deacetalization-Knoevenagel condensation reactions under quite mild conditions. They act as heterogeneous catalysts, being easy to recover and recycle without losing activity.

About Dimethyl 5-aminoisophthalate, If you have any questions, you can contact Karmakar, A; Paul, A; Rubio, GMDM; Soliman, MMA; Fatima, M; da Silva, CG; Pombeiro, AJL or concate me.. Safety of Dimethyl 5-aminoisophthalate

Reference:
Patent; ASTRA ZENECA AB; NPS PHARMACEUTICALS, INC.; WO2004/14881; (2004); A2;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

In 2020.0 CHEM PHARM BULL published article about TANDEM WESSELY OXIDATION; CYCLOADDITION; ALKALOIDS; ADDITIONS in [Hanashima, Mika; Matsumura, Toshiki; Asaji, Yuta; Yoshimura, Tomoyuki; Matsuo, Jun-ichi] Kanazawa Univ, Grad Sch Med Sci, Div Pharmaceut Sci, Kakuma Machi, Kanazawa, Ishikawa 9201192, Japan in 2020.0, Cited 40.0. The Name is 6H-Benzo[c]chromen-6-one. Through research, I have a further understanding and discovery of 2005-10-9. Computed Properties of C13H8O2

Regioselectivity for intramolecular Diels-Alder (IMDA) reactions of 6-acetoxy-6-alkenylcyclohexa-2,4-dien-1-ones that were formed by oxidation of 2-alkenylphenols with lead tetraacetate in acetic acid were studied. Bridged regioselectivity was observed in the IMDA reactions of 6-acetoxy-6-alkenylcyclohexa-2,4-dien-1-ones having a dienophile part which could conjugate with an aromatic group. Bridged seven-and eight-membered rings and bicyclo[2.2.2]octane skeletons were constructed by the present IMDA reactions. Density functional theory (DFT) calculations suggested that conjugation of the dienophile with neighboring aromatic groups lowered the highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) energy gap and preceded bridged [4 + 2] adducts.

Computed Properties of C13H8O2. About 6H-Benzo[c]chromen-6-one, If you have any questions, you can contact Hanashima, M; Matsumura, T; Asaji, Y; Yoshimura, T; Matsuo, J or concate me.

Reference:
Article; Zhang, Jian; Shi, Dongdong; Zhang, Haifeng; Xu, Zheng; Bao, Hanyang; Jin, Hongwei; Liu, Yunkui; Tetrahedron; vol. 73; 2; (2017); p. 154 – 163;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Name: Methyl 2,2-dimethoxyacetate. Authors Pang, JF; Zhang, B; Jiang, Y; Zhao, Y; Li, CZ; Zheng, MY; Zhang, T in ROYAL SOC CHEMISTRY published article about in [Pang, Jifeng; Zhang, Bo; Jiang, Yu; Zhao, Yu; Li, Changzhi; Zheng, Mingyuan; Zhang, Tao] Chinese Acad Sci, Dalian Inst Chem Phys, CAS Key Lab Sci & Technol Appl Catalysis, Dalian 116023, Peoples R China; [Li, Changzhi; Zheng, Mingyuan] Chinese Acad Sci, Dalian Natl Lab Clean Energy, Dalian, Peoples R China; [Zhang, Tao] Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China in 2021, Cited 59. The Name is Methyl 2,2-dimethoxyacetate. Through research, I have a further understanding and discovery of 89-91-8

The complete conversion of hemicellulose, cellulose and lignin in lignocellulosic biomass into value-added chemicals is of great significance in biorefinery processes. Herein, a cascade-step strategy was developed for the conversion of hemicellulose and lignin into mixed organic acids, and cellulose into ethylene glycol. Typical biomass of Miscanthus was first treated with formic acid in the presence of H2O2, giving a formic acid solution and cellulosic biomass. Lignin in Miscanthus was oxidized to low polymerized organic acids through linkage cleavages and aromatic ring ruptures during the treatment process, forming a homogeneous formic acid solution with a weight yield of 95%. Hemicellulose was transformed into maleic acid at 56.2% selectivity via a hydrolysis-dehydration-oxidation process. Both hemicellulose and lignin were degraded into organic acids with an overall weight yield of 92.4%. The cellulose in the solid residue had a hydrophilic surface and is highly accessible to catalysts in the aqueous solution, and it was totally converted into ethylene glycol with a yield of up to 65.7% over a binary catalyst of H2WO4-Ru/C. Relying on such a cascade reaction strategy, the three major components of Miscanthus were transformed into mixed organic acids and ethylene glycol, which provides a potential strategy for complete valorisation of biomass into value-added chemicals.

Name: Methyl 2,2-dimethoxyacetate. About Methyl 2,2-dimethoxyacetate, If you have any questions, you can contact Pang, JF; Zhang, B; Jiang, Y; Zhao, Y; Li, CZ; Zheng, MY; Zhang, T or concate me.

Reference:
Patent; U C B, Societe Anonyme; US4041077; (1977); A;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

I found the field of Chemistry; Science & Technology – Other Topics very interesting. Saw the article Diformylxylose as a new polar aprotic solvent produced from renewable biomass published in 2021.0. Computed Properties of C10H10O2, Reprint Addresses Luterbacher, JS (corresponding author), Ecole Polytech Fed Lausanne EPFL, Inst Chem Sci & Engn, Lab Sustainable & Catalyt Proc, Stn 6, CH-1015 Lausanne, Switzerland.. The CAS is 103-26-4. Through research, I have a further understanding and discovery of Methyl 3-phenyl-2-propenoate

Demand for sustainable polar aprotic solvents is increasing due to their unique solubilizing properties and the toxicity of conventional analogs, which are facing pressure from extensive safety legislation. Polar aprotic solvents are particularly difficult to produce renewably because polar molecules that lack hydroxyl groups are rarely found in abundance in the natural world. Here, we explore the use of diformylxylose (DFX), a xylose-derived molecule that can be produced in a single step from lignocellulosic biomass, as a novel polar aprotic bio-based solvent. We notably demonstrate that diformylxylose shows a similar performance to conventional polar aprotic solvents (DMF, NMP, DMSO) in alkylation, cross-coupling (Heck), and hydrogenation reactions. We also demonstrate its straightforward production from commercial xylose and show that it is non-mutagenic, according to the Ames test. Renewable DFX appears to be a greener alternative to common polar aprotic solvents that are considered problematic for industry.

Computed Properties of C10H10O2. About Methyl 3-phenyl-2-propenoate, If you have any questions, you can contact Komarova, AO; Dick, GR; Luterbacher, JS or concate me.

Reference:
Article; Weng, Shiue-Shien; Ke, Chih-Shueh; Chen, Fong-Kuang; Lyu, You-Fu; Lin, Guan-Ying; Tetrahedron; vol. 67; 9; (2011); p. 1640 – 1648;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

An article One class classification as a practical approach for accelerating pi-pi co-crystal discovery WOS:000617028900011 published article about CHARGE-TRANSFER; ORGANIC COCRYSTALS; MOLECULAR-COMPLEX; DESIGN; ANTHRACENE; PYRENE; WILL in [Vriza, Aikaterini; Canaj, Angelos B.; Vismara, Rebecca; Cook, Laurence J. Kershaw; Manning, Troy D.; Gaultois, Michael W.; Berry, Neil; Dyer, Matthew S.; Rosseinsky, Matthew J.] Univ Liverpool, Dept Chem, 51 Oxford St, Liverpool L7 3NY, Merseyside, England; [Vriza, Aikaterini; Canaj, Angelos B.; Vismara, Rebecca; Cook, Laurence J. Kershaw; Manning, Troy D.; Gaultois, Michael W.; Berry, Neil; Dyer, Matthew S.; Rosseinsky, Matthew J.] Univ Liverpool, Mat Innovat Factory, 51 Oxford St, Liverpool L7 3NY, Merseyside, England; [Vriza, Aikaterini; Gaultois, Michael W.; Dyer, Matthew S.; Rosseinsky, Matthew J.] Univ Liverpool, Leverhulme Res Ctr Funct Mat Design, Oxford St, Oxford, England; [Wood, Peter A.] Cambridge Crystallog Data Ctr, 12 Union Rd, Cambridge CB2 1EZ, England; [Kurlin, Vitaliy] Univ Liverpool, Dept Comp Sci, Mat Innovat Factory, Liverpool L69 3BX, Merseyside, England in 2021.0, Cited 81.0. HPLC of Formula: C13H8O2. The Name is 6H-Benzo[c]chromen-6-one. Through research, I have a further understanding and discovery of 2005-10-9

The implementation of machine learning models has brought major changes in the decision-making process for materials design. One matter of concern for the data-driven approaches is the lack of negative data from unsuccessful synthetic attempts, which might generate inherently imbalanced datasets. We propose the application of the one-class classification methodology as an effective tool for tackling these limitations on the materials design problems. This is a concept of learning based only on a well-defined class without counter examples. An extensive study on the different one-class classification algorithms is performed until the most appropriate workflow is identified for guiding the discovery of emerging materials belonging to a relatively small class, that being the weakly bound polyaromatic hydrocarbon co-crystals. The two-step approach presented in this study first trains the model using all the known molecular combinations that form this class of co-crystals extracted from the Cambridge Structural Database (1722 molecular combinations), followed by scoring possible yet unknown pairs from the ZINC15 database (21 736 possible molecular combinations). Focusing on the highest-ranking pairs predicted to have higher probability of forming co-crystals, materials discovery can be accelerated by reducing the vast molecular space and directing the synthetic efforts of chemists. Further on, using interpretability techniques a more detailed understanding of the molecular properties causing co-crystallization is sought after. The applicability of the current methodology is demonstrated with the discovery of two novel co-crystals, namely pyrene-6H-benzo[c]chromen-6-one (1) and pyrene-9,10-dicyanoanthracene (2).

About 6H-Benzo[c]chromen-6-one, If you have any questions, you can contact Vriza, A; Canaj, AB; Vismara, R; Cook, LJK; Manning, TD; Gaultois, MW; Wood, PA; Kurlin, V; Berry, N; Dyer, MS; Rosseinsky, MJ or concate me.. HPLC of Formula: C13H8O2

Reference:
Article; Zhang, Jian; Shi, Dongdong; Zhang, Haifeng; Xu, Zheng; Bao, Hanyang; Jin, Hongwei; Liu, Yunkui; Tetrahedron; vol. 73; 2; (2017); p. 154 – 163;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

An article Fluorescent Metal-Organic Framework Constructed from Semi-rigid Ligand for the Sensitive Sensing of 2,4,6-Trinitrophenol WOS:000518701900001 published article about SELECTIVE DETECTION; NITROAROMATIC EXPLOSIVES; GAS-ADSORPTION; QUANTUM DOTS; ACID; ANTIBIOTICS; DENDRIMERS; MOLECULE; POLYMER; SENSORS in [Zhang, Meng-Yun; Dai, Ru-Dan; Li, Bang-Jian; Hang, Tian-Xiang; Xie, Jia-Xin; Zhu, Xian-Dong] Anhui Polytech Univ, Coll Biol & Chem Engn, Wuhu 241000, Peoples R China; [Lu, Jian; Zhu, Xian-Dong] Chinese Acad Sci, Fujian Inst Res Struct Matter, Fuzhou 350002, Peoples R China; [Lu, Jian] Fujian Agr & Forestry Univ, Coll Resources & Environm, Fujian Prov Key Lab Soil Environm Hlth & Regulat, Fuzhou 350002, Peoples R China in 2020, Cited 34. The Name is Dimethyl 5-aminoisophthalate. Through research, I have a further understanding and discovery of 99-27-4. Name: Dimethyl 5-aminoisophthalate

A Cd(II)-based metal-organic framework as fluorescent chemical sensor, formulated as {[Cd-3(bmipia)(2)]center dot 10DMF center dot 5H(2)O}(n) (FCS-2), was synthesized through a hydrothermal process and structurally characterized via X-ray crystallography. FCS-2 represented a new three-dimensional framework assembled from a semi -rigid aromatic carboxylate ligand and exhibited fascinating fluorescence due to the highly crystalline and ordered molecular structure. The emission of FCS-2 could be quenched, interestingly, by the presence of trace 2,4,6-trinitrophenol, which indicated that FCS-2 can be applied as a potentially sensitive fluorescent chemical sensor for the detection of nitroaromatic compounds.

About Dimethyl 5-aminoisophthalate, If you have any questions, you can contact Zhang, MY; Dai, RD; Li, BJ; Hang, TX; Xie, JX; Lu, J; Zhu, XD or concate me.. Name: Dimethyl 5-aminoisophthalate

Reference:
Patent; ASTRA ZENECA AB; NPS PHARMACEUTICALS, INC.; WO2004/14881; (2004); A2;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics