Month: December 2022

Rubin, Leah H published the artcileDietary intake is associated with neuropsychological impairment in women with HIV., Category: esters-buliding-blocks, the main research area is HIV; cohort studies; diet; food; neuropsychological assessment; nutrition; risk factors in epidemiology.

BACKGROUND: Diet is a modifiable risk factor that may influence cognition in people with HIV. OBJECTIVES: We examined the association between dietary intake and cognition in women with HIV (WWH) and HIV-seronegative women. METHODS: An 18-item dietary National Cancer Institute screener was completed by 729 WWH and 346 HIV-seronegative Women’s Interagency HIV Study participants. Daily intake frequencies of processed meats, sweet beverages, fish, whole milk, and vegetables were calculated. Participants completed biennial neuropsychological (NP) testing. NP domains included attention/working memory, executive function, processing speed, memory, learning, fluency, and motor function. NP impairment was defined as demographically adjusted T-scores (mean = 50; SD = 10) ≤40 at ≥1 visit after completing the dietary screener. Multivariable logistic regression, stratified by HIV serostatus, examined associations between intake frequency tertile (referent = lowest intake) and NP performance. RESULTS: Dietary intake frequencies of individual food line items were similar between WWH and HIV-seronegative women, except for sweet beverages, for which HIV-seronegative women reported higher intake frequencies than WWH (P values < 0.05). In WWH, multivariable-adjusted models indicated higher odds of NP impairment with higher intake frequencies of processed meat [P = 0.006; ORupper tertile = 1.91 (95% CI: 1.23-2.95; P = 0.003); ORmiddle tertile = 1.66 (95% CI: 1.14-2.42; P = 0.01)], sweet beverages [P = 0.02; ORupper tertile = 1.75 (95% CI: 1.17-2.64; P = 0.007)], fish [P = 0.01; ORupper tertile = 1.70 (95% CI: 1.10-2.64; P = 0.02)], and whole milk [P = 0.029; ORupper tertile = 1.66 (95% CI: 1.14-2.42; P = 0.008)]. Lower odds of NP impairment [P = 0.005; ORupper tertile = 0.65 (95% CI: 0.45-0.95; P = 0.02); ORmiddle tertile = 0.42 (95% CI: 0.24-0.73; P = 0.002)] were associated with higher vegetable intakes. In HIV-seronegative women, multivariable-adjusted models did not show associations between food line items/diet quality score and NP outcomes. CONCLUSIONS: Intakes of processed meat, sweet beverages, whole milk, fish, and vegetables may be associated with NP functions among WWH. Associations among WWH are not directly comparable to those among HIV-seronegative women, because models were conducted on each group separately given controls for HIV-specific covariates in WWH. Further studies are needed using more rigorous dietary assessment methods and lengthier longitudinal follow-ups. The American journal of clinical nutrition published new progress about HIV; cohort studies; diet; food; neuropsychological assessment; nutrition; risk factors in epidemiology. 123-29-5 belongs to class esters-buliding-blocks, name is Ethyl nonanoate, and the molecular formula is C11H22O2, Category: esters-buliding-blocks.

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

Garg, S. P. published the artcileSynthesis of odd number long chain dibasic fatty acids, Formula: C18H34O4, the main research area is heptadecanedioic acid; nonadecanedioic acid; heneicosanedioic acid; fatty acid odd carbon.

The title acids HO2C(CH2)2n+1CO2H (n = 7, 8, 9) were prepared by dimerization of Me(CH2)nCO2H to HO2C(CH2)2n+2CO2H, monoesterification, amidation of CO2H group, Hofmann degradation to the amine, conversion with HONO to the alc., oxidation of the alc. group to CO2H, then hydrolysis of the remaining ester group.

Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry published new progress about heptadecanedioic acid; nonadecanedioic acid; heneicosanedioic acid; fatty acid odd carbon. 72849-42-4 belongs to class esters-buliding-blocks, name is 17-Methoxy-17-oxoheptadecanoic acid, and the molecular formula is C18H34O4, Formula: C18H34O4.

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

Sedney, Cara L published the artcileTraumatic spinal cord injury in West Virginia: Disparities by insurance and discharge disposition from an acute care hospital., Synthetic Route of 140-11-4, the main research area is Health outcomes; Insurance disparities; Rehabilitation; Spinal cord injury; West Virginia.

Context: Medicaid has been linked to worse outcomes in a variety of diagnoses such as lung cancer, uterine cancer, and cardiac valve procedures. It has furthermore been linked to the reduced health-related quality of life outcomes after traumatic injuries when compared to other insurance groups. In spinal cord injury (SCI), the care provided in the subacute setting may vary based upon payor status, which may have implications on outcomes and cost of care.Design: A retrospective review utilizing the institutional trauma databank was performed for all adult patients with spinal cord injury since 2009. Pediatric patients were excluded. Insurance type, race, length of stay, discharge status (alive/dead), discharge disposition, injury severity score (ISS), and hospital charges billed were recorded.Results: Two hundred patients were identified. Overall 27.5% of patients with SCI during the period of our review were Medicaid beneficiaries. ISS was similar between Medicaid and non-Medicaid patients, but the Medicaid beneficiaries were younger (37 vs 50 years of age; P < .001). Medicaid beneficiaries had a significantly longer length of stay (20.9 days; P < .001) when compared to all other patients. They furthermore were more likely to be discharged home or to a skilled nursing facility rather than an acute rehabilitation center. Inpatient charges billed for Medicaid beneficiaries were significantly higher than those of non-Medicaid patients (203,264 USD vs 140,114 USD; P = .015), likely reflecting the increased length of stay while awaiting appropriate disposition.Conclusion: Medicaid patients with SCI in West Virginia had a longer hospital stay, higher charges billed, and were more likely to be discharged home or to a skilled nursing facility rather than an acute rehabilitation center, when compared to non-Medicaid patients. The lack of availability of rehabilitation facilities for Medicaid beneficiaries likely explains this difference. The journal of spinal cord medicine published new progress about Health outcomes; Insurance disparities; Rehabilitation; Spinal cord injury; West Virginia. 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Synthetic Route of 140-11-4.

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

de-la-Fuente-Blanco, Arancha published the artcileFourteen ethyl esters of wine can be replaced by simpler ester vectors without compromising quality but at the expense of increasing aroma concentration, Name: Ethyl 3-hydroxybutanoate, the main research area is ethyl ester wine aroma; Aroma enhancement; Aroma integration; Aroma suppression; Fruity; Isointensity; OAV; Odour quality; Subthreshold.

Aroma contribution of individual esters has been studied in complex mixtures mimicking red wine models. A mixture containing 14 Et esters at concentrations found in wine (V1) was prepared and kept as reference Isointense and qual. similar aroma vectors with a reduced number of esters (V2-V7) were prepared Those vectors were introduced in two reconstituted wines to assess whether simpler vectors could replace V1 without compromising wine quality. In the simpler young wine model, V1 could be replaced by a vector containing just 3 odorants (Et 2-methylbutyrate, Et butyrate and hexanoate). In the oaky model, a vector containing just Et 2-methylbutyrate (V7) could replace V1 without any discernible sensory change. Results also reveal that sub- or perithreshold odorants play outstanding roles on the overall odor intensity of the mixture and that aroma simplification concomitantly implies an increase in the amount of odorant required to keep the intensity of the aroma vector.

Food Chemistry published new progress about ethyl ester wine aroma; Aroma enhancement; Aroma integration; Aroma suppression; Fruity; Isointensity; OAV; Odour quality; Subthreshold. 5405-41-4 belongs to class esters-buliding-blocks, name is Ethyl 3-hydroxybutanoate, and the molecular formula is C6H12O3, Name: Ethyl 3-hydroxybutanoate.

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

Sekiba, Kazuma published the artcileInhibition of HBV Transcription From cccDNA With Nitazoxanide by Targeting the HBx-DDB1 Interaction., Product Details of C12H9N3O5S, the main research area is Drug Screening; Minicircle; Primary Hepatocyte Infection.

BACKGROUND & AIMS: Hepatitis B virus (HBV) infection is a major health concern worldwide. Although currently used nucleos(t)ide analogs efficiently inhibit viral replication, viral proteins transcribed from the episomal viral covalently closed circular DNA (cccDNA) minichromosome continue to be expressed long-term. Because high viral RNA or antigen loads may play a biological role during this chronicity, the elimination of viral products is an ultimate goal of HBV treatment. HBV regulatory protein X (HBx) was recently found to promote transcription of cccDNA with degradation of Smc5/6 through the interaction of HBx with the host protein DDB1. Here, this protein-protein interaction was considered as a new molecular target of HBV treatment. METHODS: To identify candidate compounds that target the HBx-DDB1 interaction, a newly constructed split luciferase assay system was applied to comprehensive compound screening. The effects of the identified compounds on HBV transcription and cccDNA maintenance were determined using HBV minicircle DNA, which mimics HBV cccDNA, and the natural HBV infection model of human primary hepatocytes. RESULTS: We show that nitazoxanide (NTZ), a thiazolide anti-infective agent that has been approved by the FDA for protozoan enteritis, efficiently inhibits the HBx-DDB1 protein interaction. NTZ significantly restores Smc5 protein levels and suppresses viral transcription and viral protein production in the HBV minicircle system and in human primary hepatocytes naturally infected with HBV. CONCLUSIONS: These results indicate that NTZ, which targets an HBV-related viral-host protein interaction, may be a promising new therapeutic agent and a step toward a functional HBV cure.

Cellular and molecular gastroenterology and hepatology published new progress about Drug Screening; Minicircle; Primary Hepatocyte Infection. 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, Product Details of C12H9N3O5S.

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

Guevara, Bernardo published the artcileHelicobacter pylori: A Review of Current Diagnostic and Management Strategies., SDS of cas: 55981-09-4, the main research area is Diagnosis; Gastric cancer; Gastritis; Helicobacter pylori; Peptic ulcer disease; Treatment.

As one of the most prevalent infections globally, Helicobacter pylori (H. pylori) continues to present diagnostic and therapeutic challenges for clinicians worldwide. Diagnostically, the “”test-and-treat”” strategy is the recommended approach for healthcare practitioners when managing this potentially curable disease. The choice of testing method should be based on several factors including patient age, presenting symptoms, and medication use, as well as test reliability, availability, and cost. With rising antibiotic resistance, particularly of macrolides, care must be taken to ensure that therapy is selected based on regional resistance patterns and prior antibiotic exposure. In the USA, macrolide antibiotic resistance rates in some areas have reached or exceeded a generally accepted threshold, such that clarithromycin triple therapy may no longer be an appropriate first-line empiric treatment. Instead, bismuth quadruple therapy should be considered, while levofloxacin-based or alternative macrolide-containing therapies are also options. Once treated, it is essential to test for eradication as untreated H. pylori is associated with serious complications including peptic ulcer disease, mucosa-associated lymphoid tissue lymphoma, and gastric cancer. This review article aims to consolidate current knowledge of H. pylori infection with a particular emphasis on diagnostic and treatment strategies.

Digestive diseases and sciences published new progress about Diagnosis; Gastric cancer; Gastritis; Helicobacter pylori; Peptic ulcer disease; Treatment. 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, SDS of cas: 55981-09-4.

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

Comer, William T. published the artcileReaction of cyclopentanones with methylsulfinyl carbanion, Category: esters-buliding-blocks, the main research area is cyclopentanone methylsulfinylmethyl carbanion reaction; cyclopentenepentanoic acid derivative.

Methylsulfinylcarbanion (-CH2SOMe) reacts with cyclopentanone at room temperature to afford the unexpected δ-methylene-1-cyclopentene-1-pentanoic acid (I) in good yield. This reaction appears limited to cyclopentanones, with only low yields isolated from 2- and 3-methylcyclopentanones. Mechanistic considerations and some reactions of the dienoic acid are discussed.

Journal of Organic Chemistry published new progress about cyclopentanone methylsulfinylmethyl carbanion reaction; cyclopentenepentanoic acid derivative. 39495-82-4 belongs to class esters-buliding-blocks, name is Ethyl 5-methylhex-5-enoate, and the molecular formula is C9H16O2, Category: esters-buliding-blocks.

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

Lueong, Smiths S published the artcileSerial Circulating Tumor DNA Mutational Status in Patients with KRAS-Mutant Metastatic Colorectal Cancer from the Phase 3 AIO KRK0207 Trial., HPLC of Formula: 123-29-5, the main research area is ctDNA; ddPCR; liquid biopsy; metastatic colorectal cancer; mutant KRAS.

BACKGROUND: We assessed the usefulness of circulating tumor DNA (ctDNA) pre- or post-treatment initiation for outcome prediction and treatment monitoring in metastatic colorectal cancer (mCRC). METHODS: Droplet digital PCR was used to measure absolute mutant V-Ki-ras2 Kirsten rat sarcoma viral oncogene ((mut)KRAS) ctDNA concentrations in 214 healthy controls (plasma and sera) and in 151 tissue-based mutKRAS positive patients with mCRC from the prospective multicenter phase 3 trial AIO KRK0207. Serial mutKRAS ctDNA was analyzed prior to and 2-3 weeks after first-line chemotherapy initiation with fluoropyrimidine, oxaliplatin, and bevacizumab in patients with mCRC and correlated with clinical parameters. RESULTS: mut KRAS ctDNA was detected in 74.8% (113/151) of patients at baseline and in 59.6% (90/151) at follow-up. mutKRAS ctDNA at baseline and follow-up was associated with poor overall survival (OS) (hazard ratio [HR] =1.88, 95% confidence interval [CI] 1.20-2.95; HR = 2.15, 95% CI 1.47-3.15) and progression-free survival (PFS) (HR = 2.53, 95% CI 1.44-4.46; HR = 1.90, 95% CI 1.23-2.95), respectively. mutKRAS ctDNA clearance at follow-up conferred better disease control (P = 0.0075), better OS (log-rank P = 0.0018), and PFS (log-rank P = 0.0018). Measurable positive mutKRAS ctDNA at follow-up was the strongest and most significant independent prognostic factor on OS in multivariable analysis (HR = 2.31, 95% CI 1.40-3.25). CONCLUSIONS: Serial analysis of circulating mutKRAS concentrations in mCRC has prognostic value. Post treatment mutKRAS concentrations 2 weeks after treatment initiation were associated with therapeutic response in multivariable analysis and may be an early response predictor in patients receiving first-line combination chemotherapy. CLINICALTRIALSGOV IDENTIFIER: NCT00973609.

Clinical chemistry published new progress about ctDNA; ddPCR; liquid biopsy; metastatic colorectal cancer; mutant KRAS. 123-29-5 belongs to class esters-buliding-blocks, name is Ethyl nonanoate, and the molecular formula is C11H22O2, HPLC of Formula: 123-29-5.

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

Martins-Filho, Paulo Ricardo published the artcileEfficacy and safety of nitazoxanide in treating SARS-CoV-2 infection: a systematic review and meta-analysis of blinded, placebo-controlled, randomized clinical trials, Synthetic Route of 55981-09-4, the main research area is COVID-19; Meta-analysis; Nitazoxanide; SARS-CoV-2 infection.

Abstract: Purpose: Nitazoxanide is a broad-spectrum antiparasitic that has been tested for COVID-19 due to its anti-inflammatory effects and in vitro antiviral activity. This study synthesized the best evidence on the efficacy and safety of nitazoxanide in COVID-19. Methods: Searches for studies were performed in peer-reviewed and gray-literature from Jan. 1, 2020 to May 23, 2022. The following elements were used to define eligibility criteria: (1) Population: individuals with COVID-19; (2) Intervention: nitazoxanide; (3) Comparison: placebo; (4) Outcomes: primary outcome was death, and secondary outcomes were viral load, pos. RT-PCR status, serum biomarkers of inflammation, composite measure of disease progression (ICU admission or invasive mech. ventilation), and any adverse events; (5) Study type: blinded, placebo-controlled, randomized clin. trials (RCTs). Treatment effects were reported as relative risk (RR) for dichotomous variables and standardized mean difference (SMD) for continuous variables with 95% confidence intervals (CI). Results: Five blinded, placebo-controlled RCTs were included and enrolled individuals with mild or moderate SARS-CoV-2 infection. We found no difference between nitazoxanide and placebo in reducing viral load (SMD = – 0.16; 95% CI – 0.38 to 0.05) and the frequency of pos. RTP-PCR results (RR = 0.92; 95% CI 0.81 to 1.06). In addition, there was no decreased risk for disease progression (RR = 0.63; 95% CI 0.38 to 1.04) and death (RR = 0.81; 95% CI 0.36 to 1.78) among patients receiving nitazoxanide. Patients with COVID-19 treated with nitazoxanide had decreased levels of white blood cells (SMD = – 0.15; 95% – 0.29 to – 0.02), lactate dehydrogenase (LDH) (SMD – 0.32; 95% – 0.52 to – 0.13), and D-dimer (SMD – 0.49; 95% CI – 0.68 to – 0.31) compared to placebo, but the magnitude of effect was considered small to moderate. Conclusion: This systematic review showed no evidence of clin. benefits of the use of nitazoxanide to treat patients with mild or moderate COVID-19. In addition, we found a reduction in WBC, LDH, and D-dimer levels among nitazoxanide-treated patients, but the effect size was considered small to moderate.

European Journal of Clinical Pharmacology published new progress about COVID-19; Meta-analysis; Nitazoxanide; SARS-CoV-2 infection. 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, Synthetic Route of 55981-09-4.

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

Aydogdu, Seyda published the artcileElectronic Structures and Reactivities of COVID-19 Drugs: A DFT Study., Computed Properties of 55981-09-4, the main research area is COVID-19; DFT; Global descriptors; SARS-COV-2; Solvent effect.

These days, the world is facing the threat of pandemic Coronavirus Disease 2019 (COVID-19). Although a vaccine has been found to combat the pandemic, it is essential to find drugs for an effective treatment method against this disease as soon as possible. In this study, electronic and thermodynamic properties, molecular electrostatic potential (MEP) analysis, and frontier molecular orbitals (FMOs) of nine different covid drugs were studied with Density Functional Theory (DFT). In addition, the relationship between the electronic structures of these drugs and their biological effectiveness was examined. All parameters were computed at the B3LYP/6-311++g(d,p) level. The Solvent effect was evaluated using conductor-like polarizable continuum model (CPCM) as the solvation model. It was observed that electrophilic indexes were important to understand the efficiencies of these drugs in COVID-19 disease. Paxlovid, hydroxyquinone, and nitazoxanide were found as the most thermodynamically stable molecules. Thermodynamic parameters also demonstrated that these drugs were more stable in the aqueous media. Global descriptors and the reactivity of these drugs were found to be related. Nitazoxanide molecule exhibited the highest dipole moment. The high dipole moments of drugs can cause hydrophilic interactions that increase their effectiveness in an aqueous solution.

Acta chimica Slovenica published new progress about COVID-19; DFT; Global descriptors; SARS-COV-2; Solvent effect. 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, Computed Properties of 55981-09-4.

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