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971.
We study quantum wave packet revivals on two-dimensional infinite circular quantum wells (CQWs) and circular quantum dots with position-dependent mass (PDM) envisaging a possible experimental realization. We consider CQWs with radially varying mass, addressing particularly the cases where M(r)∝rw with w=1,2, or −2. The two PDM Hamiltonians currently allowed by theory were analyzed and we were able to construct a strong theoretical argument favoring one of them. 相似文献
972.
Alexandre Mermillod-Blondin Euan McLeod Craig B. Arnold 《Applied Physics A: Materials Science & Processing》2008,93(1):231-234
The ability to dynamically shape the spatial intensity profile of an incident laser beam enables new ways to modify and structure
surfaces through pulsed laser processing. Here we describe a method to generate doughnut-shaped beams from an input Gaussian
source using a tunable acoustic gradient index (TAG) lens. The TAG lens is capable of modulating between focused beams and
annular rings of variable size, using sinusoidal driving frequencies. Laser micromachining is accomplished by synchronizing
the TAG lens to a 355 nm pulsed nanosecond laser. Results in polyimide demonstrate the ability to generate adjacent surface
features with different shapes and sizes. 相似文献
973.
We apply first-principles calculations to investigate the interplay between electronic and magnetic properties of carbon nanotubes with line defects. We consider three types of defects: lines of C--O--C epoxy groups, and defects resulting from the substitution of the oxygen atoms by CH2 or C2H4 divalent radicals. We find that the line defects behave as pairs of coupled graphene edge states, and a variety of electronic and magnetic ground states is predicted as a function of defect type, nanotube diameter, and a possibly applied transverse electric field. 相似文献
974.
Bianca Schweitzer Arlindo C. Felippe Alexandre Dal Bó Edson Minatti Dino Zanette 《Macromolecular Symposia》2005,229(1):208-216
Summary: In this study sodium cholate (NaC) was used as a representative bile salt for the competitive binding between NaC and sodium dodecyl sulfate (SDS) in bovine serum albumin (BSA), in 0.02 M tris-HCl buffer solution at pH 7.50 and 25 °C. The NaC and SDS associations with BSA were monitored at low surfactant concentrations where only this specific binding process can develop. The applied method to monitor the binding was based on the analysis of the effect of SDS and NaC concentrations and their mixtures upon the fluorescence intensity of the BSA tryptophan residues. This consists of the measurement of the surfactant monomer partitioning between the dispersion medium and the microaggregates on the protein molecule where the binding is indicated by the quenching of the fluorescence chromophores. Experimentally, varying the protein concentration, the surfactant concentration needed to reach a given Io/I ratio (Io and I are the intensities with and without protein, respectively) was measured. The analyses, based on the average number of surfactant molecules bound on the protein, indicated that the SDS is a more efficient quencher than the bile salt. The need for 4–6 NaC bound molecules to give the same protein quenching efficiency by a single molecule of SDS was estimated. We concluded that the differences in the competitive binding on the protein are exclusively related to the quenching efficiency in the formation of the nonfluorescent fluorophore-quencher complex via a physical contact and static quenching process. 相似文献
975.
S. Peeterbroeck M. Alexandre J.B. Nagy N. Moreau A. Destrée F. Monteverde A. Rulmont R. Jérôme Ph. Dubois 《Macromolecular Symposia》2005,221(1):115-126
Morphological and rheological properties of new ternary nanocomposites based on ethylene vinyl acetate copolymers (EVA), commercial organo-modified clays (organoclays) and purified multi-walled carbon nanotubes (MWNTs), prepared via direct melt blending, have been evaluated. For sake of comparison, the corresponding binary compositions, i.e., EVA filled with either organoclays or MWNTs, have been investigated as well. While extensive exfoliation can be observed for binary EVA/clay nanocomposites, the addition of MWNTs appears to limit clay exfoliation. Rheological properties show that both clay and MWNTs increase the elastic modulus of the nanocomposites, reflecting the high degree of nanoparticle interconnectivity that can be found in these materials. 相似文献
976.
Andrii Tarasov Federico Garzelli Christoph Schuessler Stefanie Fritsch Christophe Loisel Alexandre Pons Claus-Dieter Patz Doris Rauhut Rainer Jung 《Molecules (Basel, Switzerland)》2021,26(20)
Storage temperature is one of the most important factors affecting wine aging. Along with bottling parameters (type of stopper, SO2 level and dissolved O2 in wine), they determine how fast wine will evolve, reach its optimum and decline in sensory quality. At the same time, lowering of the SO2 level in wine has been a hot topic in recent years. In the current work, we investigated how Riesling wine evolved on the molecular level in warm (~25 °C) and cool (~15 °C) conditions depending on the SO2 level in the wine (low, medium and high), flushing of the bottle’s headspace with CO2 and three types of stoppers (Diam 30, Diam 30 origin and Diam 5) with different OIR levels (0.8–1.3 mg) and OTR levels (0.3–0.4 mg/year). It was demonstrated that the evolution of primary and secondary aromas, wine color and low molecular weight sulfur compounds (LMWSCs) during the two years of aging mainly depended on the storage temperature. Variation in the SO2 level and CO2 in the headspace affected mostly certain LMWSCs (H2S, MeSH) and β-damascenone. New aspects of C13-norisprenoids and monoterpenoids behavior in Riesling wine with different levels of SO2 and O2 were discussed. All three types of stoppers showed very close wine preservation properties during the two years of storage. The sensory analysis revealed that, after only six months, the warm stored wines with a low SO2 level were more oxidized and different from the samples with medium and high SO2 levels. A similar tendency was also observed for the cool stored samples. 相似文献
977.
Thais Kroetz Pablo Andrei Nogara Fabiano da Silveira Santos Lilian Camargo da Luz Viktor Saraiva Cmara Joo Batista Teixeira da Rocha Alexandre Gonalves Dal-B Fabiano Severo Rodembusch 《Molecules (Basel, Switzerland)》2021,26(21)
In this study, the interactions of ESIPT fluorescent lipophile-based benzazoles with bovine serum albumin (BSA) were studied and their binding affinity was evaluated. In phosphate-buffered saline (PBS) solution these compounds produce absorption maxima in the UV region and a main fluorescence emission with a large Stokes shift in the blue–green regions due to a proton transfer process in the excited state. The interactions of the benzazoles with BSA were studied using UV-Vis absorption and steady-state fluorescence spectroscopy. The observed spectral quenching of BSA indicates that these compounds could bind to BSA through a strong binding affinity afforded by a static quenching mechanism (Kq~1012 L·mol−1·s−1). The docking simulations indicate that compounds 13 and 16 bind closely to Trp134 in domain I, adopting similar binding poses and interactions. On the other hand, compounds 12, 14, 15, and 17 were bound between domains I and III and did not directly interact with Trp134. 相似文献
978.
979.
Alexandre S. Miranda Paula M. Marcos Jos R. Ascenso Mrio N. Berberan-Santos Filipe Menezes 《Molecules (Basel, Switzerland)》2022,27(10)
Fluorescent receptors (4a–4c) based on (thio)ureido-functionalized hexahomotrioxacalix[3]arenes were synthesised and obtained in the partial cone conformation in solution. Naphthyl or pyrenyl fluorogenic units were introduced at the lower rim of the calixarene skeleton via a butyl spacer. The binding of biologically and environmentally relevant anions was studied with NMR, UV–vis absorption, and fluorescence titrations. Fluorescence of the pyrenyl receptor 4c displays both monomer and excimer fluorescence. The thermodynamics of complexation was determined in acetonitrile and was entropy-driven. Computational studies were also performed to bring further insight into the binding process. The data showed that association constants increase with the anion basicity, and AcO−, BzO− and F− were the best bound anions for all receptors. Pyrenylurea 4c is a slightly better receptor than naphthylurea 4a, and both are more efficient than naphthyl thiourea 4b. In addition, ureas 4a and 4c were also tested as ditopic receptors in the recognition of alkylammonium salts. 相似文献
980.
Alexey V. Rayevsky Andrii S. Poturai Iryna O. Kravets Alexander E. Pashenko Tatiana A. Borisova Ganna M. Tolstanova Dmitriy M. Volochnyuk Petro O. Borysko Olga B. Vadzyuk Diana O. Alieksieieva Yuliana Zabolotna Olga Klimchuk Dragos Horvath Gilles Marcou Sergey V. Ryabukhin Alexandre Varnek 《Molecules (Basel, Switzerland)》2022,27(17)
New models for ACE2 receptor binding, based on QSAR and docking algorithms were developed, using XRD structural data and ChEMBL 26 database hits as training sets. The selectivity of the potential ACE2-binding ligands towards Neprilysin (NEP) and ACE was evaluated. The Enamine screening collection (3.2 million compounds) was virtually screened according to the above models, in order to find possible ACE2-chemical probes, useful for the study of SARS-CoV2-induced neurological disorders. An enzymology inhibition assay for ACE2 was optimized, and the combined diversified set of predicted selective ACE2-binding molecules from QSAR modeling, docking, and ultrafast docking was screened in vitro. The in vitro hits included two novel chemotypes suitable for further optimization. 相似文献