Day: October 17, 2022

Deng, Qiang; Gao, Rui; Li, Xiang; Wang, Jun; Zeng, Zheling; Zou, Ji-Jun; Deng, Shuguang published the artcile< Hydrogenative Ring-Rearrangement of Biobased Furanic Aldehydes to Cyclopentanone Compounds over Pd/Pyrochlore by Introducing Oxygen Vacancies>, Application In Synthesis of 97-99-4, the main research area is hydrogenative ring rearrangement biobased furanic aldehyde cyclopentanone.

Upgrading furanic aldehydes (such as furfural or 5-hydroxymethyl furfural) to cyclopentanone compounds (such as cyclopentanone or 3-hydroxymethyl cyclopentanone) is of great significance for the synthesis of high-value chems. and biomass utilization. Developing an efficient reduced metal/acidic support with Lewis acidity is the key to facilitating the carbonyl hydrogenation and hydrolysis steps in the hydrogenative ring-rearrangement reaction. Herein, three pure Lewis acidic pyrochlore supports of the form A2B2O7 (La2Sn2O7, Y2Sn2O7, and Y2(Sn0.7Ce0.3)2O7-δ) with the same crystal structures and different metals are synthesized. The Lewis acidity and the surface properties of the pyrochlore can be tuned by inserting different kinds of A and B site metals. After impregnation, Pd nanoparticles with appropriate particle sizes are uniformly loaded on the surface of pyrochlore. For the reaction of the furanic aldehydes, all of these pyrochlore-based catalysts exhibit hydrogenation and hydrolysis rates that are both faster than those of traditional support-based catalysts due to the oxygen vacancy and pure Lewis acidity of the support. Among these pyrochlore-based catalysts, Pd/Y2Sn2O7 exhibits activity and selectivity that are higher than those of Pd/La2Sn2O7. Moreover, the Y2Sn2O7-based catalyst partially substituted by Ce3+ ions at the B site is more efficient, with the highest cyclopentanone yield and 3-hydroxymethyl cyclopentanone yield of 95.0% and 92.5%, resp. Furthermore, the catalyst can still maintain an effective activity and stability after 4 runs. This study not only presents an efficient biobased route for the production of cyclopentanone compounds but also focuses on the acid catalytic performance of pyrochlore based on its pure Lewis acidity.

ACS Catalysis published new progress about Crystal structure. 97-99-4 belongs to class tetrahydrofurans, and the molecular formula is C5H10O2, Application In Synthesis of 97-99-4.

Referemce:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem

Mironenko, Roman M.; Belskaya, Olga B.; Likholobov, Vladimir A. published the artcile< Approaches to the synthesis of Pd/C catalysts with controllable activity and selectivity in hydrogenation reactions>, Quality Control of 97-99-4, the main research area is review palladium carbon hydrogenation catalyst.

A review. C-supported Pd catalysts are widely used for hydrogenation of various organic compounds in the fine chem. industry. The nanoscale geometry and electronic structure of supported Pd nanoparticles play a crucial role in providing the necessary catalytic properties. To improve catalytic activity and selectivity of Pd nanoparticles, it is possible to fine tune their intrinsic properties (e.g., size and oxidation state) by controlling the chem. transformations at different stages of catalyst preparation Recent years have seen considerable advancement in developing new catalyst preparation techniques as well as in understanding the mechanism of active site formation. This review summarizes some of the existing approaches to regulating the catalytic properties of C-supported Pd by variation of the C support, the composition of Pd precursor and its reduction conditions, as well as the addition of a 2nd active metal. The data presented may be useful for researchers developing efficient Pd/C catalysts for hydrogenation of polyfunctional organic compounds

Catalysis Today published new progress about Carbon nanofibers Role: CAT (Catalyst Use), NAN (Nanomaterial), PEP (Physical, Engineering or Chemical Process), PRP (Properties), TEM (Technical or Engineered Material Use), USES (Uses), PROC (Process). 97-99-4 belongs to class tetrahydrofurans, and the molecular formula is C5H10O2, Quality Control of 97-99-4.

Referemce:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem

Jurutka, Peter W.; Kaneko, Ichiro; Yang, Joanna; Bhogal, Jaskaran S.; Swierski, Johnathon C.; Tabacaru, Christa R.; Montano, Luis A.; Huynh, Chanh C.; Jama, Rabia A.; Mahelona, Ryan D.; Sarnowski, Joseph T.; Marcus, Lisa M.; Quezada, Alexis; Lemming, Brittney; Tedesco, Maria A.; Fischer, Audra J.; Mohamed, Said A.; Ziller, Joseph W.; Ma, Ning; Gray, Geoffrey M.; van der Vaart, Arjan; Marshall, Pamela A.; Wagner, Carl E. published the artcile< Modeling, Synthesis, and Biological Evaluation of Potential Retinoid X Receptor (RXR) Selective Agonists: Novel Analogues of 4-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)ethynyl|benzoic Acid (Bexarotene) and (E)-3-(3-(1,2,3,4-tetrahydro-1,1,4,4,6-pentamethylnaphthalen-7-yl)-4-hydroxyphenyl)acrylic Acid (CD3254)>, Electric Literature of 5455-94-7, the main research area is bexarotene methylnaphthylhydroxyphenylacrylic acid preparation retinoic X receptor agonist; structure bexarotene methylnaphthylhydroxyphenylacrylate analog retinoid X receptor agonist activity; mutagenicity vitamin D3 receptor agonism apoptosis bexarotene analog; antitumor activity bexarotene methylnaphthylhydroxyphenylacrylic acid RXR agonist analog; methylnaphthylcyclopropyl pyrimidinecarboxylic acid mol crystal structure.

Analogs of the retinoid X receptor (RXR) agonists bexarotene I (X = CH) and of pentamethylnaphthylhydroxyphenylacrylic acid II such as I (X = N) were prepared as potential antitumor agents and tested for their abilities to act as RXR agonists, to initiate apoptosis in human cancer cells, to modulate transcription mediated by the vitamin D3 receptor, and their mutagenicity in Saccharomyces cerevisiae. Seven of the compounds including I (X = N) stimulate RXR-regulated transcription in mammalian two-hybrid and RXRE-mediated assays, possessed comparable or elevated biol. activity based on EC50 profiles, and retained similar or improved apoptotic activity in CTCL assays compared to bexarotene. The novel compounds demonstrated selectivity for RXR and minimal crossover onto the retinoic acid receptor (RAR) compared to all-trans-retinoic acid, with select analogs also reducing inhibition of other RXR-dependent pathways (e.g., VDR-RXR). The structure of a pentamethylnaphthylcyclopropyl pyrimidinecarboxylic acid RXR agonist was determined by X-ray crystallog.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 5455-94-7 belongs to class tetrahydrofurans, and the molecular formula is C8H14O2, Electric Literature of 5455-94-7.

Referemce:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem

Radley, Andrew; de Bruin, Marijn; Inglis, Sarah K; Donnan, Peter T; Hapca, Adrian; Barclay, Stephen T; Fraser, Andrew; Dillon, John F published the artcile< Clinical effectiveness of pharmacist-led versus conventionally delivered antiviral treatment for hepatitis C virus in patients receiving opioid substitution therapy: a pragmatic, cluster-randomised trial.>, Recommanded Product: ((2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate, the main research area is .

BACKGROUND: Highly effective direct-acting antiviral drugs provide the opportunity to eliminate hepatitis C virus (HCV) infection, but established pathways can be ineffective. We aimed to examine whether a community pharmacy care pathway increased treatment uptake, treatment completion, and cure rates for people receiving opioid substitution therapy, compared with conventional care. METHODS: This cluster-randomised trial was done in Scottish community pharmacies. Before participants were recruited, pharmacies were randomly assigned (1:1) to refer patients with evidence of HCV antibodies to conventional care or offered them care in the pharmacy (pharmacist-led care). Pharmacies were stratified by location. All pharmacies were trained to offer dried blood spot testing. All eligible participants had received opioid substitution therapy for approximately 3 months, and those eligible to receive treatment in the pharmacist-led care pathway were HCV PCR positive, were infected with HCV genotype 1 or 3, and were willing to have a pharmacist supervise their antiviral drug administration. Neither pharmacists nor patients were masked to treatment allocation. In both groups, assessment blood samples were taken, infection with HCV was confirmed, and daily oral ledipasvir-sofosbuvir (90 mg ledipasivir plus 400 mg sofosbuvir) for 8 weeks for genotype 1 or daily oral sofosbuvir (400 mg) plus oral daclatasvir (60 mg) for 12 weeks for genotype 3 was prescribed by a nurse (conventional care group) or pharmacist (pharmacist-led care group). In the conventional care group, the patient received care at a treatment centre. Once prescribed, medication in both groups was delivered as daily modified directly observed therapy alongside opioid substitution therapy in the participants’ pharmacy where treatment was observed on 6 days per week. The primary outcome was the number of patients with sustained virological response 12 weeks after completion of treatment (SVR12) as a proportion of the number of people receiving opioid substitution therapy at participating pharmacies. Participants were monitored at each visit for nausea and fatigue; other adverse events were recorded as free text. Secondary outcomes compared key points on treatment pathway between the two groups. These key points were the proportion of patients having dry blood spot testing, the proportion of patients initiating HCV treatment, the proportion of patients completing the 8 or 12 week HCV course of treatment, and the proportion of patients with sustained virological response at 12 months. This study is registered with ClinicalTrials.gov, NCT02706223. FINDINGS: 56 pharmacies were randomly assigned (28 to each group; one pharmacy withdrew from the conventional care group). The 55 participating pharmacies included 2718 patients receiving opioid substitution therapy (1365 in the pharmacist-led care group and 1353 in the conventional care group). More patients met the primary endpoint of SVR12 in the pharmacist-led care group (98 [7%] of 1365) than in the conventional care group (43 [3%] of 1353; odds ratio 2·375, 95% CI 1·555-3·628, p<0·0001). More users of opioid substitution therapy in the pharmacist-led care group versus the conventional care group agreed to dry blood spot testing (245 [18%] of 1365 vs 145 [11%] of 1353, 2·292, 0·968-5·427, p=0·059); initiated treatment (112 [8%] of 1365 vs 61 [4%] of 1353, 1·889, 1·276-2·789, p=0·0015) and completed treatment (108 [8%] of 1365 vs 58 [4%] of 1353, 1·928, 1·321-2·813, p=0·0007). The data for sustained virological response at 12 months are not reported in this study: patients remain in follow-up for this outcome. No serious adverse events were recorded. INTERPRETATION: Using pharmacists to deliver an HCV care pathway made testing and treatment more accessible for patients, improved engagement, and maintained high treatment success rates. The use of this pathway could be a key part of an integrated and effective approach to HCV elimination at a community level. FUNDING: Partnership between the Scottish Government, Gilead Sciences, and Bristol-Myers Squib. The lancet. Gastroenterology & hepatology published new progress about 58-97-9. 58-97-9 belongs to class tetrahydrofurans, and the molecular formula is C9H13N2O9P, Recommanded Product: ((2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate.

Referemce:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem

Bommana, Sankhya; Richards, Gracie; Kama, Mike; Kodimerla, Reshma; Jijakli, Kenan; Read, Timothy D.; Dean, Deborah published the artcile< Metagenomic shotgun sequencing of endocervical, vaginal, and rectal samples among Fijian women with and without Chlamydia trachomatis reveals disparate microbial populations and function across anatomic sites: a pilot study>, Computed Properties of 58-97-9, the main research area is Chlamydia metagenomics shotgun sequencing endocervix vagina rectum anatomy; Chlamydia trachomatis; endocervical microbiome; metabolomics; metagenomic shotgun sequencing; pathogenesis; rectal microbiome; sexually transmitted infections; vaginal microbiome.

Chlamydia trachomatis is a sexually transmitted pathogen and a global public health concern. Little is known about the microbial composition and function across endocervical, vaginal, and rectal microbiomes in the context of C. trachomatis infection. We evaluated the microbiomes of 10 age-matched high-risk Fijian women with and without C. trachomatis using metagenomic shotgun sequencing (MSS). Lactobacillus iners and Lactobacillus crispatus dominated the vagina and endocervix of uninfected women. Species often found in higher relative abundance in bacterial vaginosis (BV) – Mageeibacillus indolicus, Prevotella spp., Sneathia spp., Gardnerella vaginalis, and Veillonellaceae spp. – were dominant in C. trachomatis-infected women. This combination of BV pathogens was unique to Pacific Islanders compared to previously studied groups. The C. trachomatis-infected endocervix had a higher diversity of microbiota and microbial profiles that were somewhat different from those of the vagina. However, community state type III (CST-III) and CST-IV predominated, reflecting pathogenic microbiota regardless of C. trachomatis infection status. Rectal microbiomes were dominated by Prevotella and Bacteroides, although four women had unique microbiomes with Gardnerella, Akkermansia, Bifidobacterium, and Brachyspira. A high level of microbial similarity across microbiomes in two C. trachomatis-infected women suggested intragenitorectal transmission. A number of metabolic pathways in the endocervix, driven by BV pathogens and C. trachomatis to meet nutritional requirements for survival/growth, 5-fold higher than that in the vagina indicated that endocervical microbial functions are likely more diverse and complex than those in the vagina. Our novel findings provide the impetus for larger prospective studies to interrogate microbial/microbiome interactions that promote C. trachomatis infection and better define the unique genitorectal microbiomes of Pacific Islanders.

Microbiology Spectrum published new progress about Actinobacteria. 58-97-9 belongs to class tetrahydrofurans, and the molecular formula is C9H13N2O9P, Computed Properties of 58-97-9.

Referemce:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem

Qin, Yaqiong; Wang, Bing; Liu, Shaofeng; Pan, Lining; Chen, Mantang; Cui, Huapeng; Liu, Ruihong; Jia, Yunzhen; Cai, Junlan; Liu, Kejian; Wang, Xiaoyu; Xie, Fuwei published the artcile< Robust, comprehensive, sensitive analysis of flavour additives with carboxyl and hydroxyl groups in cigarette smoke combining silylation and gas chromatography-tandem mass spectrometry with an improved backflushing system>, Application In Synthesis of 97-99-4, the main research area is silylation GC MS backflushing system flavor additives; Backflushing; Cigarette smoke; Derivatization; Flavour additives; GC-MS/MS.

Flavor additives with carboxyl and hydroxyl groups (FACHs), the key ingredients in characteristic flavours, are frequently detected in cigarette smoke. They are attracting increasing attention in regulating the flavor additives used in tobacco to curb youth tobacco use and prevent the use of additives that are harmful. In this study, a highly robust, sensitive, and precise method based on silylation and GC-MS/MS with an improved backflushing system was developed for the simultaneous anal. of 171 FACHs in cigarette smoke. Silylation has been shown to have advantages in terms of high selectivity and sensitivity to chems. with carboxyl and hydroxyl groups, especially when combined with GC-MS/MS. The extraction and silylation conditions were optimized. Dichloromethane was used as the extraction agent. BSTFA in combination with 1% TMCS and 0.2% TMSI was selected as silylating agent for high silylation efficiency, particularly for hindered analytes. The method has been validated. The limit of detection (LOD) ranged from 0.6 to 332.3 ng/mL. 91.1% out of the analytes in QC samples had precisions lower than 10% during one month run. The improved backflushing system with a fused silica splitter was shown to be crucial in the excellent long-term robustness of the method. The developed method was used to determine flavor additives in 270 practical cigarette smoke samples with reliable results. A total of 154 FACHs were identified with wide-range levels among different cigarette brands.

Journal of Chromatography A published new progress about Food additives (flavor). 97-99-4 belongs to class tetrahydrofurans, and the molecular formula is C5H10O2, Application In Synthesis of 97-99-4.

Referemce:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem

Fouad, Hanan Mina; Ahmed Mohamed, Amal; Sabry, Magda; Abdel Aziz, Hossam; Eysa, Basem; Rabea, Mohamed published the artcile< The Effectiveness of Ledipasvir/Sofosbuvir in Youth With Genotype 4 Hepatitis C Virus: A Single Egyptian Center Study.>, COA of Formula: C9H13N2O9P, the main research area is .

BACKGROUND: Licensure of ledipasvir/sofosbuvir for chronic hepatitis C virus (HCV) infection in adolescents was based on clinical trials on patients mainly with genotype 1. We aimed to evaluate the effectiveness and short-term safety of this newly approved antiviral in adolescents with HCV genotype 4. METHODS: This was a study of 51 HCV-infected adolescents, who received the adult dose of ledipasvir/sofosbuvir, once daily for 12 weeks, and were followed-up for 12 weeks post-treatment. Laboratory tests, quantitation of HCV RNA, HCV genotyping, IL-28rs gene polymorphism and transient elastography were performed at baseline. Follow-up visits were done for blood testing and adverse events recording. RESULTS: The mean age was 14.7 ± 1.5 years (11-17.5), with a male to female ratio of 1.7:1. All patients were genotype 4a, and 76.5% had the CC IL-28 gene polymorphism. About 50% gave a history of HCV-infected mother, and 31% were treatment-experienced. Liver stiffness was F0 in 72.5%, F0-F1 in 13.7% and F1-F2 in 13.7%. Adverse events were mainly abdominal pain in 72.5%, headache in 64.7% and diarrhea in 53% of patients; these were mild. A reversible increase in creatinine level with a concomitant decline in estimated glomerular filtration rate was observed in the first month of treatment. By the end of week 12, a significant decline in liver enzymes was observed. All patients achieved an early, end of treatment, and a sustained virologic response. CONCLUSIONS: Adolescent patients with genotype 4 chronic HCV infection achieved a good response rate with good ontreatment tolerability for ledipasvir/sofosbuvir therapy.

The Pediatric infectious disease journal published new progress about 58-97-9. 58-97-9 belongs to class tetrahydrofurans, and the molecular formula is C9H13N2O9P, COA of Formula: C9H13N2O9P.

Referemce:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem

Pillon, Monica C.; Frazier, Meredith N.; Dillard, Lucas B.; Williams, Jason G.; Kocaman, Seda; Krahn, Juno M.; Perera, Lalith; Hayne, Cassandra K.; Gordon, Jacob; Stewart, Zachary D.; Sobhany, Mack; Deterding, Leesa J.; Hsu, Allen L.; Dandey, Venkata P.; Borgnia, Mario J.; Stanley, Robin E. published the artcile< Cryo-EM structures of the SARS-CoV-2 endoribonuclease Nsp15 reveal insight into nuclease specificity and dynamics>, Computed Properties of 58-97-9, the main research area is cryoelectron microscopy SARSCoV2 NSP15 conformational dynamics crystal structure.

Abstract: Nsp15, a uridine specific endoribonuclease conserved across coronaviruses, processes viral RNA to evade detection by host defense systems. Crystal structures of Nsp15 from different coronaviruses have shown a common hexameric assembly, yet how the enzyme recognizes and processes RNA remains poorly understood. Here we report a series of cryo-EM reconstructions of SARS-CoV-2 Nsp15, in both apo and UTP-bound states. The cryo-EM reconstructions, combined with biochem., mass spectrometry, and mol. dynamics, expose mol. details of how critical active site residues recognize uridine and facilitate catalysis of the phosphodiester bond. Mass spectrometry revealed the accumulation of cyclic phosphate cleavage products, while anal. of the apo and UTP-bound datasets revealed conformational dynamics not observed by crystal structures that are likely important to facilitate substrate recognition and regulate nuclease activity. Collectively, these findings advance understanding of how Nsp15 processes viral RNA and provide a structural framework for the development of new therapeutics.

Nature Communications published new progress about Catalysis (phosphodiester bonds). 58-97-9 belongs to class tetrahydrofurans, and the molecular formula is C9H13N2O9P, Computed Properties of 58-97-9.

Referemce:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem

Kofler, Lukas; Berg, Christoph; Kofler, Katrin; Geipel, Andrea; Lipp, Hans-Peter; Müller, Alisa; Eigentler, Thomas; Forschner, Andrea published the artcile< Simultaneous targeted therapy for metastatic melanoma and hepatitis C.>, Category: tetrahydrofurans, the main research area is .

There is no abstract available for this document.

Journal der Deutschen Dermatologischen Gesellschaft = Journal of the German Society of Dermatology : JDDG published new progress about 58-97-9. 58-97-9 belongs to class tetrahydrofurans, and the molecular formula is C9H13N2O9P, Category: tetrahydrofurans.

Referemce:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem

Chen, Lifang; Ye, Jingyun; Yang, Yusen; Yin, Pan; Feng, Haisong; Chen, Chunyuan; Zhang, Xin; Wei, Min; Truhlar, Donald G. published the artcile< Catalytic Conversion Furfuryl Alcohol to Tetrahydrofurfuryl Alcohol and 2-Methylfuran at Terrace, Step, and Corner Sites on Ni>, Formula: C5H10O2, the main research area is nickel catalytic conversion furfuryl alc tetrahydrofurfuryl alc methylfuran.

The surface structures at catalytic sites are critical factors for determining catalytic selectivity. Here, we use periodic d. functional theory and microkinetic modeling to systematically investigate the effect of surface structures on the conversion of furfuryl alc. (FA). We consider nine surface terminations of Ni with various coordination numbers representing terrace, step, and corner sites. We study three reaction paths for FA conversion on various surfaces and find that the surface structure impacts the adsorption configuration and causes significant differences in selectivity. Barrier height anal. shows that terrace sites favor hydrogenation to tetrahydrofurfuryl alc. (THFA), whereas corner sites favor C-OH bond scission to produce 2-methylfuran (2-MF); step sites show similar barriers for the two reactions. We explain this by identifying three characteristics of the reactant adsorption structures that have a significant effect on selectivity, namely, that a shorter distance between the adsorbed hydrogen atom and the C3 carbon of FA favors hydrogenation to produce THFA, and more neg. charge transfer to Oalcohol and a longer C-Oalcohol bond length favor C-Oalcohol bond scission to produce 2-MF. Since the reactions have similar barriers at a step site, microkinetic calculations are employed to calculate the product selectivity on a step site under exptl. conditions. At lower temperatures and higher generalized coordination number (CN), THFA is the most favorable product, while the selectivity to 2-MF is higher at lower CN and at higher temperature This work provides guidance for the rational design catalysts to control the product distribution of FA conversion.

ACS Catalysis published new progress about Adsorption. 97-99-4 belongs to class tetrahydrofurans, and the molecular formula is C5H10O2, Formula: C5H10O2.

Referemce:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem