Day: December 6, 2022

Custer, Christine M. published the artcileLegacy and Contaminants of Emerging Concern in Tree Swallows Along an Agricultural to Industrial Gradient: Maumee River, Ohio, Safety of Diatrizoic Acid, the main research area is Tachycineta contaminant river water pollution PBDE PAH PCB Ohio; Birds; Desethylatrazine; Maumee River; Perfluorinated substances; Polybrominated diphenyl ethers; Tree swallows.

Exposure to multiple classes of contaminants, both legacy and contaminants of emerging concern (CECs), were assessed in tree swallow (Tachycineta bicolor) tissue and diet samples from 6 sites along the Maumee River, Ohio, USA, to understand both exposure and possible effects of exposure to those CECs for which there are little avian data. The 6 sites represented a gradient from intensive agriculture upstream to highly urbanized and industrial landscapes downstream; 1 or 2 remote Wisconsin lakes were assessed for comparative purposes. Cytochrome P 450 induction, DNA damage, and thyroid function were also assessed relative to contaminant exposure. Bioaccumulative CECs, such as polybrominated di-Ph ethers (PBDEs) and perfluorinated substances, did not follow any upstream to downstream gradient; but both had significantly greater concentrations along the Maumee River than at the remote lake sites. Greater exposure to PBDEs was apparent in swallows at or near wastewater-treatment facilities than at other sites. Total polychlorinated biphenyl and total polycyclic aromatic hydrocarbon concentrations were greater in swallows at downstream locations compared to upstream sites and were associated with higher ethoxyresorufin-O-dealkylase activity. Few herbicides or nonorganochlorine insecticides were detected in swallow tissues or their food, except for atrazine and its metabolite desethylatrazine. Few pharmaceuticals and personal care products were detected except for DEET and iopamidol. Both were detected in most liver samples but not in eggs, as well as detected at the remote lake sites. This is one of the most comprehensive assessments to date of exposure and effects of a wide variety of CECs in birds. Environ Toxicol Chem 2020;00:1-17. 2020 SETAC. This article has been contributed to by US Government employees and their work is in the public domain in the USA.

Environmental Toxicology and Chemistry published new progress about Bioaccumulation. 117-96-4 belongs to class isoquinoline, name is Diatrizoic Acid, and the molecular formula is C11H9I3N2O4, Safety of Diatrizoic Acid.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Egorov, Gennadiy I. published the artcileVolumetric properties (water + 1,3-dimethylurea) mixture over the temperature range from 274.15 to 333.15 K at the ambient pressure – comparison with other methyl substituted analogues, Product Details of C2H6N2O, the main research area is methyl water dimethylurea mixture temperature ambient pressure.

Measurements of the binary mixture {water (1) + 1,3-dimethylurea (2)} d. within the temperature range of 274.15 to 333.15 K were performed within a wide range of compositions at the atm. pressure by using the d. gauge with a U-shaped vibrating tube. There are calculated apparent and partial molar volumes of water and 1,3-dimethylurea (1,3-DMU) in the mixture, limiting (standard) partial molar volumes of 1,3-DMU in water, molar isobaric thermal expansion of the mixture and molar isobaric thermal expansion of 1,3-DMU at infinite dilution It is shown that concentration dependences of partial molar volumes of the water and 1,3-DMU are characterized by the presence of extremums thus revealing manifestation of hydrophobic nature of the 1,3-dimethylurea mol. Limiting partial molar volumes of 1,3-DMU increase with the increase of the temperature Increasing both the temperature and the concentration of 1,3-DMU lids to the increasing of the molar isobaric expansion of the mixture The obtained results are discussed in terms of the solute – solvent and solute – solute interactions. A comparison of the obtained characteristics with similar characteristics of the urea, N-methylurea and tetramethylurea is performed.

Journal of Molecular Liquids published new progress about Binary mixtures. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Product Details of C2H6N2O.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Ayers, Emily C. published the artcileAntibody and T-cell responses to Covid-19 mRNA vaccines in patients with B-cell lymphomas and chronic lymphocytic leukemia (CLL), Synthetic Route of 151-10-0, the main research area is COVID19 mRNA vaccine B cell lymphoma chronic lymphocytic leukemia.

While the approval of three com. vaccines for the SARS-CoV-2 virus has provided upwards of 95% protection against the coronavirus for healthy subjects, the efficacy among patients with hematol. malignancies remains unknown. Immune dysfunction and impaired humoral responses to other vaccines are well documented in patients with CLL and B-cell lymphomas. Furthermore, they suffer increased risk of morbidity and mortality with Covid-19 infections compared to healthy controls. As such, the immune response elicited by the available Covid-19 vaccines in these patients is of utmost importance to investigate. We performed a prospective exploratory anal. in CLL and B-cell lymphoma patients to evaluate humoral and T-cell responses to the com. available mRNA Covid-19 vaccines. The objective was to obtain samples at baseline and 2-3 wk post-vaccination, although some samples were obtained outside of this timeframe. IgG to the SARS-CoV-2 spike receptor-binding domain (RBD) was quantified using the ImmunoCAP platform (Thermo Fisher); results were compared to data from 167 subjects in a healthy vaccine cohort at the University of Virginia. T-cell responses to spike protein of SARS-CoV-2 were measured in 3 NHL patients and 3 matched healthy controls at 2-3 wk post-2nd vaccine dose, by T cell receptor dependent activation-induced marker (AIM) assay using pooled peptides spanning spike protein. Among 18 patients currently evaluable, median age is 67 y and 72% are male. Diagnoses include CLL (5), marginal zone lymphoma (MZL; 4), diffuse large B-cell lymphoma (3), follicular lymphoma (1), mantle cell lymphoma (MCL;4), and Waldenstrom’s macroglobulinemia (1). All patients except 1 MZL patient are currently receiving or have received systemic treatment for their hematol. malignancy. Treatments include immunochemotherapy in 5 patients, Bruton’s tyrosine kinase inhibitors (BTKi) with or without anti-CD20 monoclonal antibody therapy in 5, single agent anti-CD20 monoclonal antibody in 4, and other targeted therapy in 4 patients including venetoclax, lenalidomide, and bortezomib. Two patients had received prior autologous stem cell transplantation, 1 patient allogeneic transplantation, and 1 patient chimeric antigen receptor T-cell therapy. Among patients on therapy (n = 10), median time from start of current treatment to Covid-19 vaccine was 136 days (range 13 – 829d). In patients who had completed therapy (n = 8), median time from end of last treatment to vaccine was 153 days (range 37 – 355d). Seven patients had a blood sample drawn between 1 wk and 1 mo post-second mRNA vaccine dose. IgG antibody levels to spike RBD were markedly lower in NHL/CLL patients compared to those observed in the control cohort (median 2.1μg/mL [IQR 0.23-7.6μg/mL] vs. 60.3μg/mL [IQR 42.5-87.0μg/mL], Mann-Whitney P<0.001). Of the 16 samples that were obtained post-vaccine dose 2, nine had IgG levels less than 2μg/mL (manufacturer lower threshold of detection), whereas only 5 of 252 samples from the control cohort were less than this level (Chi-square P<0.001, RR = 39.6 (95%CI 15.1-100)). Antibody responses were independent of type of therapy. The percentage of total lymphocytes and T cells was generally reduced in NHL patients vs. controls; however, CD4+ T cells responding to spike protein were readily detected, despite the absence of antibody responses in 2 of these patients, both of whom had MCL. Curiously, 2 patients (1 MZL with and 1 MCL patient without antibodies) displayed a higher percentage of activated CD4+ T cells compared to controls, and CD8+ T cells also responded in each of these patients. T-cell responses were specific for spike protein as evidenced by no response to peptides of whole nucleoprotein. Compared to a reference cohort, patients with B-cell malignancies, both treatment-naive and on treatment, have impaired antibody response to the com. available mRNA Covid-19 vaccines. Despite this, virus-responsive T-cells can be readily detected, even in the absence of antibodies. Further research is needed to determine whether antibody levels can be used as a biomarker for vaccine efficacy, whether the presence of virus-specific T-cells confers protection in the absence of antibodies, and to determine the effect of booster doses of vaccine on immune response. Blood published new progress about B-cell lymphoma. 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, Synthetic Route of 151-10-0.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Li, Z. published the artcileBacterial communities and volatile compounds in Doubanjiang, a Chinese traditional red pepper paste, Application of 5-Methyl-2-phenylhex-2-enal, the main research area is bacteria doubanjiang volatile compound; Doubanjiang; Pseudomonas; core bacterial community; partial least squares regression; volatile compounds.

Aim : To identify core bacterial communities and volatile compounds and to investigate their relationships in Doubanjiang, a Chinese traditional red pepper paste. Methods and Results : Two main culture-independent methods, polymerase chain reaction-denaturing gradient gel electrophoresis (PCR-DGGE) and MiSeq sequencing technique, were used to investigate bacterial composition Headspace solid-phase microextraction combined with gas chromatog.-mass spectrometry (HS-SPME-GC-MS) was used to isolate and identify volatile organic compounds Partial least squares (PLS) regression and correlation coefficients analyses were used for elucidating the relationship between core bacterial community and volatile compounds Conclusions : Lactic acid bacteria (LAB) and Enterobacteriaceae family were identified primarily by the PCR-DGGE fingerprinting. Furthermore, the core microbiome (>1% average relative abundance) were indentified by Miseq sequencing technique, which mainly assigned to Proteobacteria, Cyanobacteria and Firmicutes phyla. For volatile profile, a total of 29 volatile compounds were identified by HP-SPME-GC-MS, mainly alcs., esters, aldehydes, ketones and phenols. PLS regression and Pearson’s correlation coefficients analyses revealed highly covariable relationships between volatile compounds and bacterial taxa. Notably, Pseudomonas most highly significantly associated with 3-Me butanal, 2-Me butanal, benzeneacetaldehyde and 2-acetylpyrrole (P < 0·001), and significantly correlated with 5-methylfurfural and 5-methyl-2-phenyl-2-hexenal (P < 0·01). Significance and Impact of the Study : Core bacterial communities were identified and the relationship between bacterial taxa and flavor compounds was revealed, these results could be beneficial for improving the quality of Doubanjiang. Journal of Applied Microbiology published new progress about Bacillus cereus. 21834-92-4 belongs to class isoquinoline, name is 5-Methyl-2-phenylhex-2-enal, and the molecular formula is C13H16O, Application of 5-Methyl-2-phenylhex-2-enal.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Wang, Lei published the artcileChemical profiling of HIV-1 capsid-targeting antiviral PF74, Application of 4-Methoxy-N-methylaniline, the main research area is indole peptidomimetic synthesis antiviral HIV cytotoxicity CA hexamer stability; Capsid-targeting antivirals; HIV-1; PF74.

The capsid protein (CA) of HIV-1 plays essential roles in multiple steps of the viral replication cycle by assembling into functional capsid core, controlling the kinetics of uncoating and nuclear entry, and interacting with various host factors. Targeting CA represents an attractive yet underexplored antiviral approach. Of all known CA-targeting small mol. chemotypes, the peptidomimetic PF74, I, is particularly interesting because it binds to the same pocket used by a few important host factors, resulting in highly desirable antiviral phenotypes. However, further development of I entails understanding its pharmacophore and mitigating its poor metabolic stability. We report herein the design, synthesis, and evaluation of a large number of I analogs aiming to provide a comprehensive chem. profiling of I and advance the understanding on its detailed binding mechanism and pharmacophore. The analogs, containing structural variations mainly in the aniline domain and/or the indole domain, were assayed for their effect on stability of CA hexamers, antiviral activity, and cytotoxicity. Selected analogs were also tested for metabolic stability in liver microsomes, alone or in the presence of a CYP3A inhibitor. Collectively, our studies identified important pharmacophore elements and revealed addnl. binding features of I, which could aid in future design of improved ligands to better probe the mol. basis of CA-host factor interactions, design strategies to disrupt them, and ultimately identify viable CA-targeting antiviral leads.

European Journal of Medicinal Chemistry published new progress about Anti-HIV agents. 5961-59-1 belongs to class isoquinoline, name is 4-Methoxy-N-methylaniline, and the molecular formula is C8H11NO, Application of 4-Methoxy-N-methylaniline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Jiang, Xiangyi published the artcileDiscovery of novel 1,4-disubstituted 1,2,3-triazole phenylalanine derivatives as HIV-1 capsid inhibitors, SDS of cas: 5961-59-1, the main research area is structure activity HIV capsid inhibitor triazole phenylalanine; triazole phenylalanine derivative preparation HIV capsid inhibitor; CuAAC; HIV-1; HIV-1 capsid protein; Molecular dynamics simulation; Phenylalanine derivatives; SAR; Surface plasmon resonance.

The HIV-1 capsid (CA) protein plays crucial roles in both early and late stages of the viral life cycle, which has intrigued researchers to develop anti-HIV drugs that target it. Accordingly, in this research, we report the design, synthesis and biol. evaluation of a series of novel phenylalanine derivatives as HIV-1 CA protein inhibitors using the Cu(I)-catalyzed azide and alkyne 1,3-dipolar cycloaddition (CuAAC) reaction. Among this series of inhibitors, compound I displayed a remarkable anti-HIV activity (EC50 = 2.13μM, CC50 > 35.49μM). Furthermore, surface plasmon resonance (SPR) binding assays showed that compounds I and PF-74 (II, lead compound) have similar affinities to the HIV-1 CA monomer. Further investigation showed that the weak permeability and water solubility of representative compounds were probably the important factors that restricted their cell-based activity. Preliminary structure-activity relationships (SARs) were inferred based on the activities of these compounds and their known structure. The most promising new compound was studied with mol. dynamics simulation (MD) to determine the preferred interactions with the drug target. Finally, the activities of members of this series of inhibitors were deeply inspected to find the potential reasons for their anti-HIV-1 activity from various perspectives. This highlights the important factors required to design compounds with improved potency.

RSC Advances published new progress about Anti-HIV agents. 5961-59-1 belongs to class isoquinoline, name is 4-Methoxy-N-methylaniline, and the molecular formula is C8H11NO, SDS of cas: 5961-59-1.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Verma, Krishan K. published the artcileScreening of Some Novel 4, 5 Disubstituted 1, 2, 4-Triazole-3-thiones for Anticonvulsant Activity, SDS of cas: 104-01-8, the main research area is triazole thione anticonvulsant drug screening; GABA-AT; MES; Triazol-3-thiones; anticonvulsant activity; docking; scPTZ..

In the present study, we synthesized fifteen 4, 5-disubstituted 1, 2, 4-triazol- 3-thione derivatives and evaluated for anticonvulsant activity with neurotoxicity determination The synthesized compounds were characterized using FTIR, 1H-NMR and MS. The mol. docking study was also performed to study the interactions of compounds with LYS329 residue of gamma amino butyric acid aminotransferase (GABA-AT) using Autodock 4.2 software. The anticonvulsant activity was assessed by maximal electroshock (MES) test and s.c. pentylenetetrazol (scPTZ) tests. The neurotoxicity was assessed by rotarod ataxia test. In MES test, compounds 5a, 8a and 9a were found active at 100 mg/kg and five compounds were found active at 300 mg/kg dose after 1 h of administration. After 4 h of drug administration, only two compounds 8a and 9a exhibited protection at 100 mg/kg. In scPTZ test, three compounds 2a, 6a and 8a were found active at 100 mg/kg and 7a was active at 300 mg/kg after 1 h of test drug administration. Most of the compounds were found active in MES test with 8a and 9a being the most active among all. In docking study, 2a was found to be best compound based on the binding energy of -6.5 kcal/mol and estimated inhibition constant of 17.2μM. Majority of synthesized compounds were found active in MES test, whereas only few were found to possess anti scPTZ activity. Among all compounds, only 14a caused motor coordination impairment in rotarod ataxia test at 300 mg/kg 1 h duration.

Central Nervous System Agents in Medicinal Chemistry published new progress about Anticonvulsants. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, SDS of cas: 104-01-8.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Lou, X. W. published the artcileThe change of volatile compounds of two kinds of vinasse-cured ducks during processing, Product Details of C13H16O, the main research area is duck vinasse wet dry curing butenal hexane moisture flavor.

Vinasse-cured duck was processed by boiling, salting, and vinasse-dry-curing or vinasse-wet-curing. Volatile compounds, moisture contents, reducing sugars, and thiobarbituric acid reactive substances (TBARS) values during processing were determined Reducing sugars decreased during boiling and increased after vinasse-curing. TBARS values increased throughout the processing. The volatiles of ducks during processing and vinasse-curing agents (dry vinasse and vinasse sauce) were 125 compounds The first principal component (PC1) belonged to the flavor of cooked duck, whereas the second principal component (PC2) represented the flavor of yellow rice wine. The 66.49 and 29.61% of typical aroma of vinasse-dry-cured product were from dry vinasse and lipid oxidation, resp., whereas the 75.58 and 21.89% of aroma of vinasse-wet-cured product were from vinasse sauce and lipid oxidation, resp. Lipid oxidation products increased after boiling, whereas salting promoted their release. Compared with vinasse-wet-cured duck, vinasse-dry-cured product presented richer aroma of lipid oxidation and weaker flavor of vinasse-curing agents. Besides, protein denaturation which was caused by ethanol could influence the retention and release of flavor. In conclusion, two kinds of vinasse-curing methods influenced the characteristic volatiles of products and their generation during processing.

Poultry Science published new progress about Anas domesticus. 21834-92-4 belongs to class isoquinoline, name is 5-Methyl-2-phenylhex-2-enal, and the molecular formula is C13H16O, Product Details of C13H16O.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Colonges, Kelly published the artcileIntegration of GWAS, metabolomics, and sensorial analyses to reveal novel metabolic pathways involved in cocoa fruity aroma GWAS of fruity aroma in Theobroma cacao, Category: isoquinoline, the main research area is Theobroma GWAS metabolomics fruity aroma protein sugar degradation; Aroma; Biochemical bases; Cocoa; Fruity note; GWAS; Genetic bases.

Nacional is a variety of cocoa tree known for its “”Arriba”” aroma characterised mainly by fruity, floral, and spicy aromatic notes. In this study, the genetic basis of the fruity aroma of modern Nacional cocoa was investigated. GWAS studies have been conducted on biochem. and sensorial fruity traits and allowed to identify a large number of association zones. These areas are linked to both the volatile compounds known to provide fruity flavours and present in the beans before and after roasting, and to the fruity notes detected by sensorial anal. Five main metabolic pathways were identified as involved in the fruity traits of the Nacional population: the protein degradation pathway, the sugar degradation pathway, the fatty acid degradation pathway, the monoterpene pathway, and the L-phenylalanine pathway. Candidate genes involved in the biosynthetic pathways of volatile compounds identified in association areas were detected for a large number of associations

Plant Physiology and Biochemistry (Issy-les-Moulineaux, France) published new progress about Analysis (GWAS). 21834-92-4 belongs to class isoquinoline, name is 5-Methyl-2-phenylhex-2-enal, and the molecular formula is C13H16O, Category: isoquinoline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Zheng, Cameron H. M. published the artcileThe Catalytic Synthesis of N-Aryl Indoles Featuring an Alternative Disconnection. Hydroaminoalkylation for a Telescoped Reaction Sequence, Product Details of C8H11NO, the main research area is aryl indole preparation; chlorostyrene methylaniline hydroaminoalkylation tantalumureate catalyst.

A tricatalytic telescoped synthesis toward C3-methyl-N-aryl indolines I (R = cyclohexyl, Ph, 3,4-dimethoxyphenyl, 2-phenylethyl, etc.) and indoles II products is reported. An in situ generated tantalum(V) ureate catalyst is used for the hydroaminoalkylation of o-chlorostyrene with N-Me aniline RNHCH3 to first make a Csp3-Csp3 bond. Subsequent nickel-catalyzed C-N coupling forms N-aryl indolines I, and if desired, subsequent oxidation to N-aryl indoles II can be achieved using catalytic [Cu(MeCN)4]BF4 and tert-butylperoxy-2-ethylhexyl carbonate as the terminal oxidant. This strategy highlights an alternative C-C bond disconnection for the synthesis of indoles II, which is enabled by the atom-economic hydroaminoalkylation reaction. The method was streamlined using a three-step, two-pot approach to afford up to 73% overall isolated yield of variously substituted C3-methyl-N-aryl indoles II.

Organic Letters published new progress about Aminoalkylation. 5961-59-1 belongs to class isoquinoline, name is 4-Methoxy-N-methylaniline, and the molecular formula is C8H11NO, Product Details of C8H11NO.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem