Search results for "54"

Synthesis, X-ray Structure Determination, and Comprehensive Photochemical Characterization of (Trifluoromethyl)diazirine-Containing TRPML1 Ligands

2021

Potential (trifluoromethyl)diazirine-based TRPML1 ion channel ligands were designed and synthesized, and their structures were determined by single-crystal X-ray diffraction analysis. Photoactivation studies via 19F NMR spectroscopy and HPLC-MS analysis revealed distinct kinetical characteristics in selected solvents and favorable photochemical properties in an aqueous buffer. These photoactivatable TRPML activators represent useful and valuable tools for TRPML photoaffinity labeling combined with mass spectrometry.

Olivier Messiaen: el músico rítmico

2014

Unusual packing of ET molecules caused by π–π stacking interactions with TRISPHAT molecules in two [ET][TRISPHAT] salts (ET=bis(ethylenedithio)tetrat…

2007

Abstract The synthesis, structure and physical properties of two new radical salts formed with the organic donor bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF or ET) and a racemic mixture of the chiral anion (tris(tetrachlorobenzenediolato)phosphate(V)) (TRISPHAT) are reported. The structure of the salts (ET)4[TRISPHAT]4 · 3.5H2O (1) and (ET)(TRISPHAT) · CH2Cl2 · CH3CN (2) has been solved by X-ray single crystal diffraction. Unusual packings of ET molecules are obtained in the two structures. The electrical properties indicate that both compounds are insulators. This is in agreement with the isolation of the ET molecules and their complete ionization. On the other hand, the anisotropy of …

Tris(5-aryl-1,3,4-oxadiazolyl)benzotrithiophenes : discotic liquid crystals with enormous mesophase ranges

2021

Guillem Peire de Cazals. D’una leu chanso ai cor que m’entremeta (BdT 227.8)

2016

L’articolo propone una nuova edizione critica di D’una leu chanso ai cor que m’entremeta di Guillem Peire de Cazals, accompagnata da un commento volto a contestualizzare la canzone entro la modalità poetica della mala canso. Il testo, una vera e propria ‘canzone di disamore’, è databile agli anni 1229-1230 e costituisce un cambiamento di rotta da parte del trovatore caorsino, sia sul piano tematico che sul piano stilistico. Il riflesso di tale cambiamento è ravvisabile fin dal binomio incipitale, leu chanso – che si carica di un particolare sovrasenso retorico –, e prosegue nel corso del récit, dove si rintraccia l’uso di un vocabolario e di temi tipici della ‘modalità’ del disamore. This a…

Predicting 19F NMR Chemical Shifts: A Combined Computational and Experimental Study of a Trypanosomal Oxidoreductase–Inhibitor Complex

2020

Abstract The absence of fluorine from most biomolecules renders it an excellent probe for NMR spectroscopy to monitor inhibitor–protein interactions. However, predicting the binding mode of a fluorinated ligand from a chemical shift (or vice versa) has been challenging due to the high electron density of the fluorine atom. Nonetheless, reliable 19F chemical‐shift predictions to deduce ligand‐binding modes hold great potential for in silico drug design. Herein, we present a systematic QM/MM study to predict the 19F NMR chemical shifts of a covalently bound fluorinated inhibitor to the essential oxidoreductase tryparedoxin (Tpx) from African trypanosomes, the causative agent of African sleepi…

Modeling multiple taxis: Tumor invasion with phenotypic heterogeneity, haptotaxis, and unilateral interspecies repellence

2021

We provide a short review of existing models with multiple taxis performed by (at least) one species and consider a new mathematical model for tumor invasion featuring two mutually exclusive cell phenotypes (migrating and proliferating). The migrating cells perform nonlinear diffusion and two types of taxis in response to non-diffusing cues: away from proliferating cells and up the gradient of surrounding tissue. Transitions between the two cell subpopulations are influenced by subcellular (receptor binding) dynamics, thus conferring the setting a multiscale character. We prove global existence of weak solutions to a simplified model version and perform numerical simulations for the full se…

Tumor-infiltrating lymphocytes and breast cancer: Beyond the prognostic and predictive utility

2017

The importance of the immune system as a potent anti-tumor defense has been consolidated in recent times, and novel immune-related therapies are today demonstrating a strong clinical benefit in the setting of several solid neoplasms. Tumor-infiltrating lymphocytes reflect the attempt of the host to eradicate malignancies, and during the last decades, they have been shown to possess an interesting prognostic utility for breast cancer, especially in case of HER2 positive and triple-negative molecular subtypes. In parallel, the clinical evaluation of tumor-infiltrating lymphocytes has been shown to effectively predict treatment outcomes in both neoadjuvant and adjuvant settings. Currently, tu…

Determinants of failure in the reconstruction of the tympanic membrane: A case-control study

2018

Introduction: The recurrence rate after tympanoplasty is variable between 0% and 50%. The causes of failure may be different and frequently interrelated, making the surgical choice difficult and the prognosis not always favourable. In this study, we analysed recurrence rate and the possible causes of failure of tympanoplasty in the treatment of tympanic perforations. Materials and Methods: This prospective case-control study was carried out on patients undergoing tympanoplasty. The main outcome was closure of the tympanic membrane. Results: Among the studied 72 patients, the overall recurrence rate was 19.4%. The average follow-up was 28 months; no recurrence was observed over 12 months of …

Fenología de los bracónidos (hymenoptera, ichneumonoidea, braconidae) del pirineo andorrano

2006

Phenology of the Braconidae (Hymenoptera, Ichneumonoidea) at Andorra has been conducted/studied using a Malaise trap after a one-year cycle during 1993. A total of 1.892 specimens, representing 23 subfamilies and 79 genera were sampled. About 93.7% of the captures were koinobiont braconids, whereas 6.3% belonged to idiobiont braconids. The annual phenology has been characterized through the correlation between the evolution of the collected braconids and the weather (meteorological conditions). The maximum of the populations were registered between the two rain periods. In fact, the family Braconidae shows an abundance peak from middle of May to end of August, due to the xerothermic conditi…