Category: 621-37-4

Kumar, Naresh; Gorai, Biswajit; Gupta, Saurabh; Shiva; Goel, Nidhi published an article in 2021, the title of the article was Extrapolation of hydroxytyrosol and its analogues as potential anti-inflammatory agents.Recommanded Product: 621-37-4 And the article contains the following content:

Discovery of potential lead mol. is a challenging, and complex process which require lots of money, patience, and manpower. Human beings are using natural products, predominantly secondary metabolites, for this purpose since ancient time and they are still working on them as a potent source for drug discovery due to their wide structural diversity. Phenolic phytochems. such as hydroxytyrosol and tyrosol are natural antioxidant and involved in many biol. disease cure. Herein, we have carried out the quantum chem. calculations for conformational anal., geometry optimization and computation of electronic as well as optical properties of hydroxytyrosol and its analogs (1a-1k) in terms of d. functional theory by using Gaussian 09 program suite. The eventual charge transfer within the mols. has been confirmed by the anal. of frontier MOs. The mol. docking studies of 1a-1k with cyclooxygenase-2 showed the noticeable binding affinity as compared to other nonsteroidal anti-inflammatory drugs viz. aspirin, naproxen and celecoxib. Computation of pharmacokinetics and pharmacol. properties confirmed the lead/drug like potential of these screened mols. Furthermore, the mol. dynamics simulation of best three docked ligands (1f, 1h and 1k)-receptor complex and their binding free energy calculations reveals that these mols. bind in the catalytic cavity of cyclooxygenase-2 and found stable during the 100 ns of simulation. The experimental process involved the reaction of 3-Hydroxyphenylacetic acid(cas: 621-37-4).Recommanded Product: 621-37-4

The Article related to hydroxytyrosol antiinflammatory agent, admet, hydroxytyrosol, mm-pbsa, density functional theory, dynamics simulations, Pharmacology: Effects Of Inflammation Inhibitors and Immune Agents and other aspects.Recommanded Product: 621-37-4

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On September 15, 2021, Chen, Zhanghao; Teng, Ying; Huang, Liuqing; Mi, Na; Li, Chen; Ling, Jingyi; Gu, Cheng; Jin, Xin published an article.COA of Formula: C8H8O3 The title of the article was Rapid photo-reductive destruction of hexafluoropropylene oxide trimer acid (HFPO-TA) by a stable self-assembled micelle system of producing hydrated electrons. And the article contained the following:

Herein, we developed a self-assembled micelle system to decompose/defluorinate HFPO-TA (an alternative perfluoroalkyl substances (PFASs)) under ambient conditions by using three hydroxyphenylacetic acids (2-HPA, 3-HPA, 4-HPA) as hydrated electron precursors under UV irradiation, and using cationic surfactant cetyl tri-Me ammonium bromide (CTAB) to construct the micelle structure. The formed HPAs/CTAB/HFPO-TA micelles were well characterized. All the three micelle systems could efficient destruct HFPO-TA, while 2-HPA/CTAB/HFPO-TA self-assembled micelle showed the best stability under a wide pH range from 4 to 10 attributing to its tighter micelle structure and lower surface charge d. Moreover, natural organic matter (<10 mg L-1) plays little inhibition for the 2-HPA/CTAB/HFPO-TA system. This novel ternary micelle system not only maintains the high efficiency under the conditions of oxygen enrichment, but also keeps well performance in varied pH conditions. The high decomposition/defluorination efficiency and anti-interference capability of the 2-HPAs/CTAB/HFPO-TA micelle system make it a promising technol. for treating the PFASs contaminating wastewater. The experimental process involved the reaction of 3-Hydroxyphenylacetic acid(cas: 621-37-4).COA of Formula: C8H8O3

The Article related to hexafluoropropylene oxide trimer acid defluorination photocatalytic wastewater treatment, Waste Treatment and Disposal: Chemical Treatment Of Aqueous Wastes and other aspects.COA of Formula: C8H8O3

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On August 18, 2020, Ozdemir, Ozgun O.; Soyer, Ferda published an article.Related Products of 621-37-4 The title of the article was Pseudomonas aeruginosa Presents Multiple Vital Changes in Its Proteome in the Presence of 3-Hydroxyphenylacetic Acid, a Promising Antimicrobial Agent. And the article contained the following:

Pseudomonas aeruginosa, a widely distributed opportunistic pathogen, is an important threat to human health for causing serious infections worldwide. Due to its antibiotic resistance and virulence factors, it is so difficult to combat this bacterium; thus, new antimicrobial agents are in search. 3-Hydroxyphenylacetic acid (3-HPAA), which is a phenolic acid mostly found in olive oil wastewater, can be a promising candidate with its dose-dependent antimicrobial properties. Elucidating the mol. mechanism of action is crucial for future examinations and the presentation of 3-HPAA as a new agent. In this study, the antimicrobial activity of 3-HPAA on P. aeruginosa and its action mechanism was investigated via shot-gun proteomics. The data, which are available via ProteomeXchange with identifier PXD016243, were examined by STRING anal. to determine the interaction networks of proteins. KEGG Pathway enrichment anal. via the DAVID bioinformatics tool was also performed to investigate the metabolic pathways that undetected and newly detected groups of the proteins. The results displayed remarkable changes after 3-HPAA exposure in the protein profile of P. aeruginosa related to DNA replication and repair, RNA modifications, ribosomes and proteins, cell envelope, oxidative stress, as well as nutrient availability. 3-HPAA showed its antimicrobial action on P. aeruginosa by affecting multiple bacterial processes; hence, it could be categorized as a multitarget antimicrobial agent. The experimental process involved the reaction of 3-Hydroxyphenylacetic acid(cas: 621-37-4).Related Products of 621-37-4

The Article related to proteome pseudomonas hydroxyphenylacetate, Microbial, Algal, and Fungal Biochemistry: Antimicrobial Sensitivity and other aspects.Related Products of 621-37-4

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On August 31, 2022, Sakurai, Shuhei; Kawakami, Yuta; Kuroki, Manabu; Gotoh, Hiroaki published an article.Quality Control of 3-Hydroxyphenylacetic acid The title of the article was Structure-antioxidant activity (oxygen radical absorbance capacity) relationships of phenolic compounds. And the article contained the following:

Antioxidant capacity is the extent to which a compound can eliminate reactive oxygen species, and in vitro methods for its chem. evaluation have been proposed. Among these methods, the oxygen radical absorbance capacity (ORAC) assay comes close to the oxidation reaction in the living body because it generates radical species that mimic the lipid peroxyl radical involved in the peroxidation reaction of biol. components and react in a phosphate buffer. In this study, PM7, a semi-empirical MO method, was used to calculate the thermodn. properties (bond dissociation enthalpy, ionisation potential and proton affinity) associated with ORAC. We also applied the clusterwise linear regression anal. as a statistical method for grouping the antioxidants by structure. By analyzing the data for antioxidants, the trend in the hydrophilic ORAC values was determined using the calculated structures and bond dissociation enthalpies of the groups classified according to the presence or absence of oxygen functional groups in the ortho position of phenol. Further studies of indicators other than bond dissociation enthalpy are needed to predict the ORAC of other antioxidants such as flavonoids and indoles. The experimental process involved the reaction of 3-Hydroxyphenylacetic acid(cas: 621-37-4).Quality Control of 3-Hydroxyphenylacetic acid

The Article related to phenolic compound oxygen radical absorbance capacity sar, Physical Organic Chemistry: Oxidation-Reduction, Including Dehydrogenation and Hydrogenolysis and other aspects.Quality Control of 3-Hydroxyphenylacetic acid

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On December 31, 2020, Wang, Jun; Zhao, Danyue; Tiano, Simoni; Esteban-Fernandez, Adelaida; Yuan, Bo; Smith, Chad; Brathwaite, Justin; Jlayer, Zahra; Wu, Qingli; Simon, James E.; Trageser, Kyle J.; Pasinetti, Giulio M. published an article.Category: alcohols-buliding-blocks The title of the article was Prophylactic effect of flavanol rich preparation metabolites in promoting resilience to a mouse model of social stress. And the article contained the following:

Major depressive disorder (MDD) is a leading cause of disability, and there is an urgent need for new therapeutics. Stress-mediated induction of pro-inflammation in the periphery contributes to depression-like behaviors both in humans and in exptl. models. Inflammatory cytokine interleukin-6 (IL-6) has emerged as a potential therapeutic target. Our studies demonstrated that metabolism of flavanol rich cocoa preparation (FRP) led to the accumulation of select phenolic acids that may contribute to its anti-inflammatory activity. Using a repeated social defeat stress (RSDS) model of depression, we showed that oral administration of FRP attenuates susceptibility to RSDS-mediated depression, supporting the further development of FRP as a novel therapeutic for the treatment of stress disorders and anxiety in humans. The experimental process involved the reaction of 3-Hydroxyphenylacetic acid(cas: 621-37-4).Category: alcohols-buliding-blocks

The Article related to social stress flavanol metabolite resilience prophylaxis, Pharmacology: Effects Of Nervous System- and Behavior-Affecting Drugs and Neuromuscular Agents and other aspects.Category: alcohols-buliding-blocks

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On June 30, 2021, Smith, Chad; Trageser, Kyle J.; Wu, Henry; Herman, Francis J.; Iqbal, Umar Haris; Sebastian-Valverde, Maria; Frolinger, Tal; Zeng, Emma; Pasinetti, Giulio Maria published an article.Recommanded Product: 621-37-4 The title of the article was Anxiolytic effects of NLRP3 inflammasome inhibition in a model of chronic sleep deprivation. And the article contained the following:

Sleep deprivation is a form of stress that provokes both inflammatory responses and neuropsychiatric disorders. Because persistent inflammation is implicated as a physiol. process in anxiety disorders, we investigated the contributions of NLRP3 inflammasome signaling to anxiety and anxiolytic properties of flavanol diets in a model of chronic sleep deprivation. The results show a flavanol-rich dietary preparation (FDP) exhibits anxiolytic properties by attenuating markers of neuroimmune activation, which included IL-1β upregulation, NLRP3 signaling, and microglia activation in the cortex and hippocampus of sleep-deprived mice. Production of IL-1β and NLRP3 were critical for both anxiety phenotypes and microglia activation. Individual FDP metabolites potently inhibited IL-1β production from microglia following stimulation with NLRP3-specific agonists, supporting anxiolytic properties of FDP observed in models of sleep deprivation involve inhibition of the NLRP3 inflammasome. The study further showed sleep deprivation alters the expression of the circadian gene Bmal1, which critically regulated NLRP3 expression and IL-1β production The experimental process involved the reaction of 3-Hydroxyphenylacetic acid(cas: 621-37-4).Recommanded Product: 621-37-4

The Article related to sleep deprivation nlrp3 inflammasome anxiolytic, Pharmacology: Effects Of Nervous System- and Behavior-Affecting Drugs and Neuromuscular Agents and other aspects.Recommanded Product: 621-37-4

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Grabska-Kobylecka, Izabela; Kaczmarek-Bak, Justyna; Figlus, Malgorzata; Prymont-Przyminska, Anna; Zwolinska, Anna; Sarniak, Agata; Wlodarczyk, Anna; Glabinski, Andrzej; Nowak, Dariusz published an article in 2020, the title of the article was The presence of caffeic acid in cerebrospinal fluid: evidence that dietary polyphenols can cross the blood-brain barrier in humans.Synthetic Route of 621-37-4 And the article contains the following content:

Epidemiol. data indicate that a diet rich in plant polyphenols has a pos. effect on brain functions, improving memory and cognition in humans. Direct activity of ingested phenolics on brain neurons may be one of plausible mechanisms explaining these data. This also suggests that some phenolics can cross the blood-brain barrier and be present in the brain or cerebrospinal fluid. We measured 12 phenolics (a combination of the solid-phase extraction technique with high-performance liquid chromatog.) in cerebrospinal fluid and matched plasma samples from 28 patients undergoing diagnostic lumbar puncture due to neurol. disorders. Homovanillic acid, 3-hydroxyphenyl acetic acid and caffeic acid were detectable in cerebrospinal fluid reaching concentrations (median; interquartile range) 0.18; 0.14μmol/L, 4.35; 7.36μmol/L and 0.02; 0.01μmol/L, resp. Plasma concentrations of caffeic acid (0.03; 0.01μmol/L) did not correlate with those in cerebrospinal fluid (ρ = -0.109, p = 0.58). Because food (fruits and vegetables) is the only source of caffeic acid in human body fluids, our results indicate that the same dietary phenolics can cross blood-brain barrier in humans, and that transportation of caffeic acid through this barrier is not the result of simple or facilitated diffusion. The experimental process involved the reaction of 3-Hydroxyphenylacetic acid(cas: 621-37-4).Synthetic Route of 621-37-4

The Article related to caffeic acid dietary polyphenol blood brain barrier cerebrospinal fluid, blood-brain barrier, caffeic acid, cerebrospinal fluid, dietary polyphenols, plant phenolics, Pharmacology: Effects Of Nervous System- and Behavior-Affecting Drugs and Neuromuscular Agents and other aspects.Synthetic Route of 621-37-4

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On October 31, 2021, Qiu, Qianqian; Wang, Yanjuan; Gu, Guolong; Yu, Fan; Zhang, Shichao; Zhao, Yining; Ling, Bai published an article.Related Products of 621-37-4 The title of the article was Design, synthesis, and biological evaluation of novel FXR agonists based on auraptene. And the article contained the following:

Farnesoid X receptor (FXR) has been considered as an attractive target for metabolic disorder and liver injury, while many current FXR agonists suffer from undesirable side effects, such as pruritus. Therefore, it is urgent to develop new structure types different from current FXR agonists. In this study, a series of structural optimizations were introduced to displace the unstable coumarin and geraniol scaffolds of auraptene (AUR), a novel and safe FXR agonist. All of these efforts led to the identification of compound 14 (I), a potent FXR agonist with nearly fourfold higher activity than AUR. Mol. modeling study suggested that compound 14 fitted well with binding pocket, and formed the key ionic bond with His291 and Arg328. In acetaminophen-induced acute liver injury model, compound 14 exerts better therapeutic effect than that of AUR, which highlighting its pharmacol. potential in the treatment of drug-induced liver injury. The experimental process involved the reaction of 3-Hydroxyphenylacetic acid(cas: 621-37-4).Related Products of 621-37-4

The Article related to auraptene fxr agonist design synthesis, fxr, n-acetyl-p-aminophenol, Terpenes and Terpenoids: Monoterpenes (C10), Including Cannabinoids, Chrysanthemic Acids, and Iridoid Aglycons and other aspects.Related Products of 621-37-4

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Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

On December 31, 2020, Chen, Jinxiang; Yang, Jing; Ma, Lanlan; Li, Jun; Shahzad, Nasir; Kim, Chan Kyung published an article.Name: 3-Hydroxyphenylacetic acid The title of the article was Structure-antioxidant activity relationship of methoxy, phenolic hydroxyl, and carboxylic acid groups of phenolic acids. And the article contained the following:

The antioxidant activities of 18 typical phenolic acids were investigated using 2, 2′-diphenyl-1-picrylhydrazyl (DPPH) and ferric ion reducing antioxidant power (FRAP) assays. Five thermodn. parameters involving hydrogen atom transfer (HAT), single-electron transfer followed by proton transfer (SET-PT), and sequential proton-loss electron transfer (SPLET) mechanisms were calculated using d. functional theory with the B3LYP/UB3LYP functional and 6-311++G (d, p) basis set and compared in the phenolic acids. Based on the same substituents on the benzene ring, -CH2COOH and -CH = CHCOOH can enhance the antioxidant activities of phenolic acids, compared with -COOH. Methoxyl (-OCH3) and phenolic hydroxyl (-OH) groups can also promote the antioxidant activities of phenolic acids. These results relate to the O-H bond dissociation enthalpy of the phenolic hydroxyl group in phenolic acids and the values of proton affinity and electron transfer enthalpy (ETE) involved in the electron donation ability of functional groups. In addition, we speculated that HAT, SET-PT, and SPLET mechanisms may occur in the DPPH reaction system. Whereas SPLET was the main reaction mechanism in the FRAP system, because, except for 4-hydroxyphenyl acid, the ETE values of the phenolic acids in water were consistent with the exptl. results. The experimental process involved the reaction of 3-Hydroxyphenylacetic acid(cas: 621-37-4).Name: 3-Hydroxyphenylacetic acid

The Article related to phenolic acid proton transfer mechanism antioxidant activity, Physical Organic Chemistry: Theoretical Organic Chemical Concepts, Including Quantum and Molecular Mechanical Studies and other aspects.Name: 3-Hydroxyphenylacetic acid

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On June 30, 2020, Chen, Haitao; Xu, Chao; Zhang, Fan; Liu, Yu; Guo, Yong; Yao, Qinghua published an article.Computed Properties of 621-37-4 The title of the article was The gut microbiota attenuates muscle wasting by regulating energy metabolism in chemotherapy-induced malnutrition rats. And the article contained the following:

Malnutrition is a common clin. symptom in cancer patients after chemotherapy, which is characterized by muscle wasting and metabolic dysregulation. The regulation of muscle metabolism by gut microbiota has been studied recently. However, there is no direct convincing evidence proving that manipulating gut microbiota homeostasis could regulate muscle metabolic disorder caused by chemotherapy. Here, we investigate the potential role of gut microbiota in the regulation of the muscle metabolism in 5-fluorouracil (5-Fu)-induced malnutrition rat model. Male Sprague-Dawley rats were randomly divided into two groups (n = 8/group): control group and 5-Fu group. In the 5-Fu group, rats received 5-Fu (40 mg/kg/day) by i.p. injection for 4 days, and all rats were raised for 8 days. Nutritional status, muscle function, muscle metabolites, and gut microbiota were assessed. Fecal microbiota transplantation (FMT) was applied to explore the potential regulation of gut microbiota on muscle metabolism 5-Fu-treated rats exhibited loss of body weight and food intake compared to control group. 5-Fu decreased the levels of total protein and albumin in serum, and significantly increased the levels of IL-6 and TNF-α in muscle tissue. Rats that received 5-Fu displayed concurrent reduction of muscle function and fiber size. Moreover, 5-Fu group showed a distinct profile of gut microbiota compared to control group, including the relative lower abundance of Firmicutes and a higher abundance of Proteobacteria and Verrucomicrobia. Fourteen differential muscle metabolites were identified between two groups, which were mainly related to glycolysis, amino acid metabolism, and TCA cycle pathway. Furthermore, fecal transplantation from healthy rats improved nutritional status and muscle function in 5-Fu-treated rats. Notably, FMT inhibited the inflammatory response in muscle, and reversed the changes of several differential muscle metabolites and energy metabolism in 5-Fu-treated rats. Study demonstrated that gut microbiota played an important role in the regulation of muscle metabolism and promoting muscle energy production in 5-Fu-induced malnutrition rats, suggesting the potential attenuation of chemotherapy-induced muscle wasting by manipulating gut microbiota homeostasis. The experimental process involved the reaction of 3-Hydroxyphenylacetic acid(cas: 621-37-4).Computed Properties of 621-37-4

The Article related to muscle wasting gut microbiota energy metabolism malnutrition proteins albumins, chemotherapy, fecal microbiota transplantation, gut microbiota, malnutrition, muscle metabolism and other aspects.Computed Properties of 621-37-4

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