Abraham solvation equation (Absolv) is a popular and well-established approach for modeling solute partitioning between phases of different polarity, which finds its applications in both organic chemistry and biomedical fields. Parameters constituting this equation are good quantitative descriptors of solute hydrogen bonding potential that are useful for QSAR modeling of more complex chemical and biological phenomena. Numerous studies dealing with fast determination of Abraham descriptors using HPLC can be found in the literature, but these mostly focus on small un-ionizable industrial and environmental chemicals, whereas experimental data for pharmaceutical molecules are clearly lacking. In the current study we build upon a previously published chromatographic approach, aiming to adapt the method to ionizable drug-like compounds, and optimize it by reducing the number of required HPLC columns. The analysis involves determination of the overall H-bond acidity (A), H-bond basicity (B) and polarity/polarizability (S) descriptors for 62 pharmaceutical molecules with previously unpublished parameter values.

01 Mar 2025·Food Chemistry

Analysis of changes in flavor characteristics of congou black tea at different fermentation degrees under industrial production conditions using flavor compound weighted network co-expression method

Article

Author: Yu, Zhi ; Ntezimana, Bernard ; Ni, Dejiang ; Chen, Yuqiong ; Zhu, Junyu ; Zhou, Jingtao ; Qin, Muxue ; Jiang, Xinfeng ; Zhang, De

Fermentation is a key process in Congou black tea, but there is limited research on the changes in flavor factors and their interrelationships during different fermentation stages under industrial production. This study applies sensory evaluation and metabolomics techniques to explore the interactions between flavors. Sensory evaluation indicated that the 4-h fermented sample exhibited the best overall performance. The experiment of adding aroma substances further revealed the significant effects of sweet aroma and green odor on taste of sweetness and astringency. Additionally, 532 flavor compounds were identified using high-resolution liquid chromatography-mass spectrometry and gas chromatography-mass spectrometry. Moreover, significant differences were observed in the volatile compounds derived from flavonoids, amino acids, and fatty acids of samples with different fermentation degrees. Furthermore, weighted co-expression network analysis of flavor compounds showed that the oxidation of polyphenols, especially catechins, plays an important regulatory role in content changes of volatile and other non-volatile compounds during fermentation.

01 May 2018·British Journal of Pharmacology

Facilitation of ischaemia‐induced ventricular fibrillation by catecholamines is mediated by β₁ and β₂ agonism in the rat heart in vitro

Article

Author: Dursun, Tutku ; Ranieri, Antonella ; Wilder, Catherine D E ; Caldwell‐Dunn, Ellice ; Pavlaki, Nikoleta ; Lewis, Hannah R ; Curtis, Michael J ; Gyimah, Paul

Background and PurposeAntiarrhythmic β‐blockers are used in patients at risk of myocardial ischaemia, but the survival benefit and mechanisms are unclear. We hypothesized that β‐blockers do not prevent ventricular fibrillation (VF) but instead inhibit the ability of catecholamines to facilitate ischaemia‐induced VF, limiting the scope of their usefulness.Experimental ApproachECGs were analysed from ischaemic Langendorff‐perfused rat hearts perfused with adrenoceptor antagonists and/or exogenous catecholamines (CATs: 313 nM noradrenaline + 75 nM adrenaline) in a blinded and randomized study. Ischaemic zone (IZ) size was deliberately made small or large.Key ResultsIn rat hearts with large IZs, ischaemia‐induced VF incidence was high in controls. Atenolol, butoxamine and trimazosin did not affect VF at concentrations with β1‐, β2‐ or α1‐ adrenoceptor specificity and selectivity (confirmed in separate rat aortae myography experiments). In hearts with small IZs and low baseline incidence of ischaemia‐induced VF, CATs, delivered to the uninvolved zone (UZ), increased ischaemia‐induced VF incidence. This effect was not mimicked by atrial pacing, hence, not due to sinus tachycardia. However, the CATs‐facilitated increase in ischaemia‐induced VF was inhibited by atenolol and butoxamine (but not trimazosin), indicative of β1‐ and β2‐ but not α1‐adrenoceptor involvement (confirmed by immunoblot analysis of downstream phosphoproteins). CATs did not facilitate VF in low‐flow globally ischaemic hearts, which have no UZ.Conclusions and ImplicationsCatecholamines facilitated ischaemia‐induced VF when risk was low, acting via β1‐ and β2‐ adrenoceptors located in the UZ. There was no scope for facilitation when VF risk was high (large IZ), which may explain why β‐blockers have equivocal effectiveness in humans.

100 Deals associated with Trimazosin

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KEGG	Wiki	ATC	Drug Bank
D08212	Trimazosin	C02CA03	DB09206

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Indication	Country/Location	Organization	Date
Hypertension	Germany	Bristol Myers Squibb Co.	12 Dec 1985

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