Month: December 2022

Ydsten, Karin A. published the artcileQuinacrine treatment of nitroimidazole-refractory giardiasis, Category: esters-buliding-blocks, the main research area is quinacrine nitroimidazole immunosuppression refractory giardiasis; adverse effects; epidemiology; giardiasis; nitroimidazole refractory; nitroimidazole resistance; quinacrine; tolerability; treatment.

Limited evidence exists on efficacy and tolerability of quinacrine for nitroimidazole-refractory giardiasis. Nitroimidazole-refractory giardiasis cases, defined as microbiol. (microscopy and/or PCR) confirmed treatment failure after 2 courses, during 2008-2020, were retrospectively identified. Of 87 patients, 54 (62%) had visited India. Quinacrine was used in 54 (62%); 51 received monotherapy and 3 combined with metronidazole. Only 3 had pos. stool samples with persisting symptoms after quinacrine treatment (94% parasitol. efficacy) and all were cured after a second treatment. One (1.9%) had mild adverse effects recorded. Quinacrine is an effective treatment for nitroimidazole-refractory giardiasis with good tolerability.

Journal of Infectious Diseases published new progress about Drug resistance. 55981-09-4 belongs to class esters-buliding-blocks, name is 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, and the molecular formula is C12H9N3O5S, Category: esters-buliding-blocks.

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

Perez-Villanueva, Jaime published the artcileThe giardicidal activity of lobendazole, fabomotizole, tenatoprazole and ipriflavone: A ligand-based virtual screening and in vitro study, Formula: C12H9N3O5S, the main research area is Giardia iobendazole fabomotizole tenatoprazole ipriflavone giardicidal virtual screening; Fabomotizole; Giardia intestinalis; Ipriflavone; Lobendazole; Tenatoprazole; Virtual screening.

A ligand-based virtual screening study to search for giardicidal compounds on a 6551 ChEMBL drugs database was carried out using mol. similarity. Three fingerprints implemented in MayaChemTools with different design and validated by ROC curves, were used. Twelve compounds were retrieved from this screening, from which, four representative compounds were selected to carry out biol. assays. Whereas two compounds were com. available, the addnl. two compounds were synthesized during the development of this work. The biol. assays revealed that the compounds possess in vitro activity against five strains of Giardia intestinalis, each with different susceptibility/resistance rates to metronidazole, albendazole and nitazoxanide. Particularly, tenatoprazole showed the best effect against the WB and IMSS strains. Furthermore, fabomotizole, tenatoprazole and ipriflavone showed a higher activity against resistant strains than the reference drugs: metronidazole, albendazole and nitazoxanide.

European Journal of Medicinal Chemistry published new progress about Drug resistance. 55981-09-4 belongs to class esters-buliding-blocks, name is 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, and the molecular formula is C12H9N3O5S, Formula: C12H9N3O5S.

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

Sandeepa, Kadakanchi published the artcileDetermination of Solid-Liquid Phase Equilibrium of Benzoic Acid in Mono, Binary, and Ternary Systems and Their Correlation, Safety of Benzyl acetate, the main research area is solid liquid phase equilibrium benzoic acid; mono binary ternary system correlation.

The present research work has evaluated the equilibrium solubility data of benzoic acid in monosolvents (benzyl acetate and benzyl benzoate), in binary systems (benzyl alc. + toluene), (benzyl acetate + toluene), and (benzyl benzoate + toluene) at 288.15-328.15 K, and in ternary systems (benzoic acid + phthalic acid + benzyl alc./methanol) at two different temperatures 298.15 and 308.15 K by varying the mole fraction of the binary mixture using high-performance liquid chromatog. Solid-liquid phase equilibrium data for the ternary system were measured using the isothermal saturation method and the ternary solubility data (saturated liquid and wet solid phase) were used to construct the isothermal phase diagrams. The two pure solids formed in the ternary system were distinguished by Schreinemaker’s wet residue method at the corresponding temperatures The exptl. solubility data of benzoic acid in monosolvents and binary systems from this work were fit to various thermodn. models reported in the literature such as the Buchowski equation and the Jouyban-Acree model. The Wilson model was also fit to investigate the effect of binary interaction parameters on the solubility of ternary systems. The exptl. solubility data of benzoic acid in the solvents were in good agreement with the calculated values obtained through the thermodn. models. The solubility data and phase diagram for the ternary systems show more practical application for the obtained benzoic acid and phthalic acid pure regions. For the ternary system that consists of methanol, pure regions were larger compared to that of the system with the benzyl alc. as a solvent. Thus, the Wilson model was successful in explaining the exptl. phase behavior of the ternary system, which was reflected in the min. root-mean-square deviation value of 0.0086 for methanol at 298.15 K.

Journal of Chemical & Engineering Data published new progress about Crystallization. 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Safety of Benzyl acetate.

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

Dugkhuntod, Pannida published the artcileSynthesis of hierarchical ZSM-12 nanolayers for levulinic acid esterification with ethanol to ethyl levulinate, Application of Ethyl 4-oxopentanoate, the main research area is zeolite nanolayer synthesis levulinic acid ethanol esterification.

Hierarchical ZSM-12 nanolayers have been successfully synthesized via a one-pot hydrothermal process using dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride (TPOAC) as a secondary organic structure-directing agent (OSDA). This clearly demonstrates that the TPOAC content and the crystallization time are crucial parameters for the formation of nanolayered structures. The presence of such a structure significantly improves the mesoporosity of ZSM-12 by generating interstitial mesopores between nanolayers, eventually resulting in enhancing external surface areas and mesopore volumes, and subsequently promoting the mol. diffusion inside a zeolite framework. To illustrate its advantages as a heterogeneous catalyst, hierarchical ZSM-12 nanolayers were applied in the catalytic application of an esterification of levulinic acid with ethanol to Et levulinate. Interestingly, hierarchical ZSM-12 nanolayers exhibit an improvement of catalytic activity in terms of levulinic acid conversion (78.5%) and Et levulinate selectivity (98.7%) compared with other frameworks of hierarchical zeolite nanosheets, such as ZSM-5 and FAU. The example reported herein demonstrates an efficient way to synthesize a unidimensional pore zeolite with hierarchical nanolayered structure via a dual template method and also opens up perspectives for the application of different hierarchical porous systems of zeolites in the bulky-mol. reactions such as in the case of levulinic acid esterification with ethanol.

RSC Advances published new progress about Crystallization. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Application of Ethyl 4-oxopentanoate.

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

Iwasaki, Fumina published the artcileEffects of liming on the flavor of kokuto-shochu, a spirit made from non-centrifugal sugar, Name: Ethyl nonanoate, the main research area is kokuto shochu brown sugar flavor fermentation; 2,5-Dimethylpyradine; 4-Hydroxy-2,5-dimethyl-3(2H)-furanone; Kokuto-shochu; Liming; Non-centrifugal sugar.

Kokuto-shochu is a traditional Japanese spirit prepared from kokuto, a non-centrifugal brown cane sugar. When manufacturing kokuto, lime is added to the sugarcane juice to accelerate the crystallization of sucrose. Although the liming process differs depending on the manufacturer, the effects of liming on the quality of kokuto-shochu are unclear. Therefore, we investigated the flavor characteristics and volatiles present in kokuto-shochu prepared from kokuto with different liming degrees. Kokuto-shochu prepared from kokuto without liming had a pronounced kokuto-like flavor with a rich taste and contained higher contents of nerolidol, nonanal, acetoin, β-damascenone, and 4-hydroxy-2,5-dimethyl-3(2H)-furanone compared to that prepared from kokuto with liming. On the other hand, kokuto-shochu prepared from kokuto with excess liming had a comparative grassy flavor. It contained higher esters, 4-vinylguaiacol, and pyrazines compared to other shochu. The levels nerolidol, isoamyl acetate, nonanal, and acetoin were affected by the mash pH during fermentation, and formation of such volatiles via changing the mash pH. In contrast, pyrazines, 4-vinylguaiacol, and 4-hydroxy-2,5-dimethyl-3(2H)-furanone were not affected by mash pH, and their levels in the kokuto-shochu were consistent with those in kokuto raw materials. These results suggested that the liming process affects the levels of volatiles in kokuto-shochu by changing the mash pH and volatile levels in kokuto raw materials.

Journal of Bioscience and Bioengineering published new progress about Crystallization. 123-29-5 belongs to class esters-buliding-blocks, name is Ethyl nonanoate, and the molecular formula is C11H22O2, Name: Ethyl nonanoate.

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

Iwasaki, Fumina published the artcileEffects of liming on the flavor of kokuto-shochu, a spirit made from non-centrifugal sugar, Name: Methyl decanoate, the main research area is kokuto shochu brown sugar flavor fermentation; 2,5-Dimethylpyradine; 4-Hydroxy-2,5-dimethyl-3(2H)-furanone; Kokuto-shochu; Liming; Non-centrifugal sugar.

Kokuto-shochu is a traditional Japanese spirit prepared from kokuto, a non-centrifugal brown cane sugar. When manufacturing kokuto, lime is added to the sugarcane juice to accelerate the crystallization of sucrose. Although the liming process differs depending on the manufacturer, the effects of liming on the quality of kokuto-shochu are unclear. Therefore, we investigated the flavor characteristics and volatiles present in kokuto-shochu prepared from kokuto with different liming degrees. Kokuto-shochu prepared from kokuto without liming had a pronounced kokuto-like flavor with a rich taste and contained higher contents of nerolidol, nonanal, acetoin, β-damascenone, and 4-hydroxy-2,5-dimethyl-3(2H)-furanone compared to that prepared from kokuto with liming. On the other hand, kokuto-shochu prepared from kokuto with excess liming had a comparative grassy flavor. It contained higher esters, 4-vinylguaiacol, and pyrazines compared to other shochu. The levels nerolidol, isoamyl acetate, nonanal, and acetoin were affected by the mash pH during fermentation, and formation of such volatiles via changing the mash pH. In contrast, pyrazines, 4-vinylguaiacol, and 4-hydroxy-2,5-dimethyl-3(2H)-furanone were not affected by mash pH, and their levels in the kokuto-shochu were consistent with those in kokuto raw materials. These results suggested that the liming process affects the levels of volatiles in kokuto-shochu by changing the mash pH and volatile levels in kokuto raw materials.

Journal of Bioscience and Bioengineering published new progress about Crystallization. 110-42-9 belongs to class esters-buliding-blocks, name is Methyl decanoate, and the molecular formula is C11H22O2, Name: Methyl decanoate.

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

Zhang, Jingying published the artcileIdentification of Key Aroma Compounds in Cranberry Juices as Influenced by Vinification, Recommanded Product: Benzyl acetate, the main research area is cranberry juice vinification aroma compound; GC−MS/O; PCA; SPME; aroma-active; cranberry wine; volatile compounds.

This study aimed to identify the key aroma-active volatiles in cranberry wines through three vinification methods (White, Red and Thermo) using GC-MS/O to identify the important aroma compounds A total of 70 compounds were detected, with 67 in wines and 61 in juices. The esters was the most diversified class, while alcs. and acids were the most abundant, especially 3-methylbutanol, methylbutyric acid, and benzoic acid. The volatile profiles of cranberry wines are distinctive from their source juices. Most alcs., esters, and acids are fermentation-derived, while terpenes, phenols, aldehydes and ketones are varietal. The Red vinification retained the most varietal volatiles from the must, while the White and Thermo vinifications produced more volatiles during fermentation Thermovinification reduced the yield of benzoic acid and its derivatives after fermentation Olfactory anal. identified 47 aroma-active compounds, among which 41 were considered as the major aroma contributors (Et benzoate had the highest modified detection frequency).

Journal of Agricultural and Food Chemistry published new progress about Cranberry juice. 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Recommanded Product: Benzyl acetate.

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

Zhang, Jingying published the artcileIdentification of Key Aroma Compounds in Cranberry Juices as Influenced by Vinification, Formula: C9H18O2, the main research area is cranberry juice vinification aroma compound; GC−MS/O; PCA; SPME; aroma-active; cranberry wine; volatile compounds.

This study aimed to identify the key aroma-active volatiles in cranberry wines through three vinification methods (White, Red and Thermo) using GC-MS/O to identify the important aroma compounds A total of 70 compounds were detected, with 67 in wines and 61 in juices. The esters was the most diversified class, while alcs. and acids were the most abundant, especially 3-methylbutanol, methylbutyric acid, and benzoic acid. The volatile profiles of cranberry wines are distinctive from their source juices. Most alcs., esters, and acids are fermentation-derived, while terpenes, phenols, aldehydes and ketones are varietal. The Red vinification retained the most varietal volatiles from the must, while the White and Thermo vinifications produced more volatiles during fermentation Thermovinification reduced the yield of benzoic acid and its derivatives after fermentation Olfactory anal. identified 47 aroma-active compounds, among which 41 were considered as the major aroma contributors (Et benzoate had the highest modified detection frequency).

Journal of Agricultural and Food Chemistry published new progress about Cranberry juice. 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, Formula: C9H18O2.

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

Gao, Yang published the artcileRobust and anti-fatigue hydrophobic association hydrogels assisted by titanium dioxide for photocatalytic activity, Recommanded Product: Dodecyl 2-methylacrylate, the main research area is hydrophobic association hydrogel titanium dioxide photocatalytic degradation wastewater treatment.

Currently, robust and functional hydrogels have attracted extensive attention due to their potential applications in wastewater treatment, farmland water conservation and other fields. Herein, a series of hydrophobic association hydrogels assisted by titanium dioxide (TiO2) was fabricated via one-pot in situ photo-induced polymerization TiO2 nanoparticles could act as both photo-initiators and phys. crosslinking points. The TiO2-assisted hydrophobic association hydrogels exhibited a high tensile strength of 306 kPa, superior compression strength of 2.17 MPa and excellent fatigue resistance. Simultaneously, the incorporation of TiO2 endowed the hydrogel with photocatalytic capacity for dye wastewater treatment based on the inherent nature of TiO2. The results indicated that the hydrogels contributed to the degradation of various ionic dyes including methylene blue, rhodamine B and bromophenol blue, and the removal of methylene blue achieved a rate of 96.63%. Significantly, the hydrogel could be repeatedly utilized and the removal rate showed no evident decrease after five cycles, indicating that the hydrogels could be powerful candidates as photocatalysts for dye wastewater treatment.

Soft Matter published new progress about Conduction band. 142-90-5 belongs to class esters-buliding-blocks, name is Dodecyl 2-methylacrylate, and the molecular formula is C16H30O2, Recommanded Product: Dodecyl 2-methylacrylate.

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

Xu, Junlin published the artcileComputational drug repositioning using similarity constrained weight regularization matrix factorization: A case of COVID -19, Formula: C12H9N3O5S, the main research area is COVID19 drug repositioning computational modeling; association prediction; drug-target; drug-virus association; matrix factorization; similarity constrained.

Amid the COVID-19 crisis, we put sizeable efforts to collect a high number of exptl. validated drug-virus association entries from literature by text mining and built a human drug-virus association database. To the best of our knowledge, it is the largest publicly available drug-virus database so far. Next, we develop a novel weight regularization matrix factorization approach, termed WRMF, for in silico drug repurposing by integrating three networks: the known drug-virus association network, the drug-drug chem. structure similarity network, and the virus-virus genomic sequencing similarity network. Specifically, WRMF adds a weight to each training sample for reducing the influence of neg. samples (i.e. the drug-virus association is unassocd.). A comparison on the curated drug-virus database shows that WRMF performs better than a few state-of-the-art methods. In addition, we selected the other two different public datasets (i.e. Cdataset and HMDD V2.0) to assess WRMFs performance. The case study also demonstrated the accuracy and reliability of WRMF to infer potential drugs for the novel virus. In summary, we offer a useful tool including a novel drug-virus association database and a powerful method WRMF to repurpose potential drugs for new viruses.

Journal of Cellular and Molecular Medicine published new progress about Clinical trials. 55981-09-4 belongs to class esters-buliding-blocks, name is 2-((5-Nitrothiazol-2-yl)carbamoyl)phenyl acetate, and the molecular formula is C12H9N3O5S, Formula: C12H9N3O5S.

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