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31.
Federica Aiello Gloria Uccello-Barretta Claudio Picchi Samuele Nazzi Alessandra Recchimurzo Federica Balzano 《Molecules (Basel, Switzerland)》2022,27(19)
The understanding of the interaction between non-steroidal anti-inflammatory drugs and human serum albumin plays a fundamental role in the development of new drugs and new therapeutic strategies. Several studies have been performed, nevertheless, the interaction phenomena are still not fully understood. In this work, high-field solution Nuclear Magnetic Resonance (NMR) spectroscopy was applied to compare the strength of the interaction of diclofenac sodium salt, ketorolac tris salt and flurbiprofen sodium salt toward albumin. To this aim, mono- and bi-selective relaxation rate measurements were performed by applying selective π-pulses at the selected frequencies and by following magnetization recovery. On the basis of the dependence of relaxation parameters on albumin concentration, normalized affinity indexes were calculated for several protons of the drugs. Affinity indexes for diclofenac were about five-fold higher in comparison with ketorolac and flurbiprofen. Aromatic moieties of the three drugs and methine protons at the chiral centers of ketorolac and flurbiprofen were more involved in the interaction with albumin. In conclusion, NMR spectroscopy allows not only for the comparison of drug-to-protein affinities but also points out the nature of the drug sites that are more extensively involved in the interaction. 相似文献
32.
Orazio A. Attanasi Lucia De Crescentini Paolino Filippone Samuele Lillini 《Tetrahedron letters》2007,48(14):2449-2451
New tetrahydro-3aH-cyclopenta[d][1,3]thiazolines and hexahydro-1,3-benzothiazolines were obtained in satisfactory yields by reaction of cycloalkenyl-1-diazenes with thioamides. These thiazolines were converted into unknown fused cycloalkyl-thiazoline-pyrazole systems. 相似文献
33.
34.
Lo Conte M Staderini S Marra A Sanchez-Navarro M Davis BG Dondoni A 《Chemical communications (Cambridge, England)》2011,47(39):11086-11088
The free-radical hydrothiolation of alkynes (thiol-yne coupling, TYC) unites two thiol fragments across the carbon-carbon triple bond to give a dithioether derivative with exclusive 1,2-addition; this reaction can be used for modification of peptides and proteins allowing glycoconjugation and fluorescent labeling. These results have implications not only as a flexible strategy for attaching two modifications at a single site in proteins but also for unanticipated side-reactions of reagents (such as cycloalkynes) used in other protein coupling reactions. 相似文献
35.
Samuele Giraudo 《Comptes Rendus Mathematique》2012,350(11-12):549-552
We study a functorial construction from the category of monoids to the category of set-operads and we give some combinatorial examples of applications. 相似文献
36.
Samuele Giraudo 《Discrete Mathematics》2019,342(6):1624-1657
We introduce bud generating systems, which are used for combinatorial generation. They specify sets of various kinds of combinatorial objects, called languages. They can emulate context-free grammars, regular tree grammars, and synchronous grammars, allowing us to work with all these generating systems in a unified way. The theory of bud generating systems uses colored operads. Indeed, an object is generated by a bud generating system if it satisfies a certain equation in a colored operad. To compute the generating series of the languages of bud generating systems, we introduce formal power series on colored operads and several operations on these. Series on colored operads are crucial to express the languages specified by bud generating systems and allow us to enumerate combinatorial objects with respect to some statistics. Some examples of bud generating systems are constructed; in particular to specify some sorts of balanced trees and to obtain recursive formulas enumerating these. 相似文献
37.
Four new macrocyclic dinuclear dibutyltin(IV) dithiocarbamate complexes of the type [Bu2Sn(dtc)]2, where dtc = hexane‐1,6‐diylbis(4‐fluorobenzyldithiocarbamate) anion ( 1 ), hexane‐1,6‐diylbis(4‐chlorobenzyldithiocarbamate) anion ( 2 ), hexane‐1,6‐diylbis(furfuryldithiocarbamate) anion ( 3 ) and hexane‐1,6‐diylbis(pyrrole‐2‐ylmethyldithiocarbamate) anion ( 4 ), have been prepared. The dithiocarbamate ligands efficiently self‐assemble with Bu2Sn(IV) to form bimetallic 26‐membered macrocycles. All the complexes have been characterized using elemental analysis, infrared and NMR (1H and 13C) spectroscopies and X‐ray crystallography. Single‐crystal X‐ray diffraction analysis of all the complexes confirms the formation of the dinuclear metallomacrocycles in which dithiocarbamate ligands are asymmetrically bound to the tin atoms. The coordination sphere around the tin atom in 1 – 4 can be described as a skew trapezoidal bipyramid. The dimensions of the cavity of the macrocycles of 1 – 4 are ca 8.0 × 9.0 Å2. Complexes 1 – 4 were evaluated for their in vitro anticancer activity against MCF‐7 and HL‐60 cells. Complexes 1 and 2 are more active against MCF‐7 and HL‐60. Thermal decomposition of 1 and 4 yielded tin sulfides. They were characterized using powder X‐ray diffraction (PXRD), high‐resolution transmission electron microscopy and UV diffuse reflectance and energy‐dispersive X‐ray spectroscopies. PXRD studies reveal that the as‐prepared tin sulfides are composed of orthorhombic phase of SnS. 相似文献
38.
Clemens Reto Dialer Samuele Stazzoni David Jan Drexler Felix Moritz Müller Simon Veth Alexander Pichler Dr. Hidenori Okamura Dr. Gregor Witte Prof. Dr. Karl-Peter Hopfner Prof. Dr. Thomas Carell 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(8):2089-2095
2′3′-cGAMP is an uncanonical cyclic dinucleotide where one A and one G base are connected via a 3′-5′ and a unique 2′-5′ linkage. The molecule is produced by the cyclase cGAS in response to cytosolic DNA binding. cGAMP activates STING and hence one of the most powerful pathways of innate immunity. cGAMP analogues with uncharged linkages that feature better cellular penetrability are currently highly desired. Here, the synthesis of a cGAMP analogue with one amide and one triazole linkage is reported. The molecule is best prepared via a first CuI-catalyzed click reaction, which establishes the triazole, while the cyclization is achieved by macrolactamization. 相似文献
39.
Subbiah Thirumaran Govindasamy Gurumoorthy Rajaram Arulmozhi Samuele Ciattini 《应用有机金属化学》2020,34(9):e5761
[ Ni(dtc)2] (dtc = N-(pyrrole-2-ylmethyl)-N-thiophenemethyldithiocarbamate ( 1 ), N-methylferrocenyl-N-(2-phenylethyl)dithiocarbamate ( 2 ), N-furfuryl-N-methylferrocenyldithiocarbamate ( 3 ), and (N-[pyrrole-2-ylmethyl]-N-thiophenemethyldithiocarbamato-S,S′)(thiocyanato-N)(triphenylphosphine)nickel(II) ( 4 ) complexes were prepared and characterized by elemental analysis, infrared, ultraviolet–visible, and nuclear magnetic resonance (1H and 13C) spectroscopies. The data were consistent with the formation of square planar nickel(II) complexes, which was confirmed by single-crystal X-ray diffraction studies on 2 and 4 . Fe···Fe interactions exhibited by complex 2 led to supramolecular aggregation. The structure of 4 reveals intermolecular and intramolecular C-H···Ni anagostic interactions. The anion-sensing properties of 2 were studied with halide ions by cyclic voltammetry. It was observed that 2 acts as sensor for bromide. Complexes 1 , 2 , and 3 , were utilized to prepare nickel sulfide, nickel–iron sulfide-1, and nickel–iron sulfide-2, respectively. The composition, structure, morphology, and optical properties of nickel sulfide and nickel–iron sulfides were examined using powder X-ray diffraction, transmission electron microscopy, energy-dispersive X-ray spectroscopy, ultraviolet–visible, fluorescence, and infrared spectroscopy. Powder X-ray diffraction patterns of nickel sulfide, nickel–iron sulfide-1, and nickel–iron sulfide-2 indicate the formation of orthorhombic Ni9S8, cubic NiFeS2, and cubic Ni2FeS4, respectively. The photocatalytic activities of as-prepared nickel sulfide and nickel–iron sulfide-1 nanoparticles were investigated for photodegradation of methylene blue and rhodamine-B under ultraviolet irradiation. Nickel–iron sulfide-1 nanoparticles show slightly higher photodegradation efficiency compared with the nickel sulfide nanoparticles. 相似文献
40.
Lorenza Gardella Dario Cavallo Samuele Colonna Alberto Fina Orietta Monticelli 《Journal of polymer science. Part A, Polymer chemistry》2014,52(22):3269-3282
Novel poly(l ‐lactide) (PLLA)/poly(d ‐lactide) (PDLA)/poly(tetrahydrofuran) (PTHF) multiblock copolymers with designed molecular structure were synthesized by a two‐stage procedure. Well‐defined PDLA‐PLLA‐PTHF‐PLLA‐PDLA pentablock copolymers were prepared by sequential ring opening polymerization of l ‐ and d ‐lactides starting from PTHF glycol, with the length of the (equimolar) PLLA and PDLA blocks being varied. Then, these dihydroxyl‐terminated pentamers were transformed into multiblock copolymers by melt chain‐extension with hexamethylene diisocyanate–being the first time that the coupling of pentablock units is reported. The successful formation of macromolecular chains with a multiblock and well‐defined architecture was demonstrated by 1H NMR spectroscopy. The thermal properties and structuring of the resulting materials were investigated by means of DSC and WAXD measurements and DMA analysis. Stereocomplexation was found to be promoted during solution and melt crystallization. This approach affords materials combining the high rigidity and strength (other than improved thermal resistance) of the hard stereocomplex crystallites with the flexibility imparted by the soft block, whereby their properties can be finely tailored through the composition of the basic pentablock units without limitations on the final molecular weight. The adopted reaction conditions make this process highly appealing in view of the possibility to perform it in extruder. © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2014 , 52, 3269–3282 相似文献