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101.
Abstract Raman phonon spectra of 9, 10-dinitroanthracene have been recorded in the pressure range 0-6GPa. No phase transition is detected up to the maximum pressure studied. Quasi Harmonic Lattice Dynamics calculations, based on an atom-atom potential previously modeled on homologous 9,10-disubstituted anthracenes, have been performed. The optimized potential was used to calculate the equilibrium geometry and the lattice phonon frequencies as a function of pressure. The calculated structure at ambient conditions closely resembles the experimental one. The calculated phonon frequencies show a good agreement with the experimental values at all pressures measured. 相似文献
102.
The hyperfine structure in the ground-state rotational spectrum of methanimine was studied in the frequency range of 64-172 GHz by means of the Lamb-dip technique. This allowed to resolve, in some hyperfine components due to the 14N nucleus, doublets separated by only some tenth of kHz. We explain the splittings as due to magnetic interactions of the three protons with their molecular environment. The analysis of the experimental spectrum has been guided by quantum-chemical calculations of the hyperfine parameters. 相似文献
103.
Mauro Formica Luca Giorgi Eleonora Macedi Giovanni Piersanti Maria Antonietta Varrese 《Supramolecular chemistry》2013,25(6):365-379
The synthesis and anion binding studies of the new neutral receptor 1,1′-(2,2′-(4,10-dimethyl-1,4,7,10-tetraazacyclododecane-1,7-diyl)bis(2-oxoethane-2,1-diyl))bis(3-(3,5-bis(trifluoromethyl)phenyl)urea) (L1) are reported. L1 is a macrocyclic ligand containing the 3,5-trifluoromethylphenylureido-binding fragment attached as a side arm on the tetraazacyclododecane. L1 is soluble in numerous organic solvents; the binding properties of L1 towards several simple anions (G) were investigated by NMR, UV–vis and fluorescence techniques in DMSO and CH3CN solutions. L1 is able to bind F? , Cl? and AcO? in both solvents; in addition, it binds Br? in CH3CN. Fluoride shows the highest constant values in the halide series (F? > Cl? > Br? ) and AcO? is the most strongly bound among all the anions investigated. L1 is able to signal the presence of the anions in solution by fluorescence change; in the case of acetate, this occurs in the visible range. 相似文献
104.
We define a dispersionless tau-symmetric bihamiltonian integrable hierarchy on the space of pairs of functions analytic inside/outside the unit circle with simple poles at 0/∞ respectively, which extends the dispersionless 2D Toda hierarchy of Takasaki and Takebe. Then we construct the deformed flat connection of the infinite-dimensional Frobenius manifold M0 introduced by Carlet, Dubrovin and Mertens (2011) [3] and, by explicitly solving the deformed flatness equations, we prove that the extended 2D Toda hierarchy coincides with principal hierarchy of M0. 相似文献
105.
Sampling series play a crucial role in Signal and Image Processing. In this note, we illustrate a general method to construct Sampling series and to determine their convergence in Orlicz spaces. (© 2015 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
106.
We show that the polarization mode dispersion of a constantly spun, single-mode fiber is strongly influenced by the autocorrelation function of its birefringence. In particular, under probable conditions, the mean square differential group delay of the spun fiber may even be higher than the delay that the same fiber would have if it were not spun. 相似文献
107.
Rosalba Leuci Leonardo Brunetti Antonio Laghezza Luca Piemontese Antonio Carrieri Leonardo Pisani Paolo Tortorella Marco Catto Fulvio Loiodice 《Molecules (Basel, Switzerland)》2022,27(3)
A new series of aryloxyacetic acids was prepared and tested as peroxisome proliferator-activated receptors (PPARs) agonists and fatty acid amide hydrolase (FAAH) inhibitors. Some compounds exhibited an interesting dual activity that has been recently proposed as a new potential therapeutic strategy for the treatment of Alzheimer’s disease (AD). AD is a multifactorial pathology, hence multi-target agents are currently one of the main lines of research for the therapy and prevention of this disease. Given that cholinesterases represent one of the most common targets of recent research, we decided to also evaluate the effects of our compounds on the inhibition of these specific enzymes. Interestingly, two of these compounds, (S)-5 and 6, showed moderate activity against acetylcholinesterase (AChE) and even some activity, although at high concentration, against Aβ peptide aggregation, thus demonstrating, in agreement with the preliminary dockings carried out on the different targets, the feasibility of a simultaneous multi-target activity towards PPARs, FAAH, and AChE. As far as we know, these are the first examples of molecules endowed with this pharmacological profile that might represent a promising line of research for the identification of novel candidates for the treatment of AD. 相似文献
108.
Meccanica - Wireless recharge of electric vehicles is an important field of research. Design of inductive power transfer systems involves the optimization of resonant coils coupled through mutually... 相似文献
109.
Emília Valena Ferreira de Arago Luca Mancini Noelia Faginas-Lago Marzio Rosi Dimitrios Skouteris Fernando Pirani 《Molecules (Basel, Switzerland)》2022,27(7)
The reaction between the cyano radical CN and cyanoacetylene molecule HCN is of great interest in different astronomical fields, from star-forming regions to planetary atmospheres. In this work, we present a new synergistic theoretical approach for the derivation of the rate coefficient for gas phase neutral-neutral reactions. Statistic RRKM calculations on the Potential Energy Surface are coupled with a semiempirical analysis of the initial bimolecular interaction. The value of the rate coefficient for the HCN + CN → H + NCCCCN reaction obtained with this method is compared with previous theoretical and experimental investigations, showing strengths and weaknesses of the new presented approach. 相似文献
110.
Francesca Di Cristo Anna Valentino Ilenia De Luca Gianfranco Peluso Irene Bonadies Anna Calarco Anna Di Salle 《Molecules (Basel, Switzerland)》2022,27(7)
The management of periodontitis remains a vital clinical challenge due to the interplay between the microorganisms of the dental biofilm and the host inflammatory response leading to a degenerative process in the surrounding tissues. Quercetin (QUE), a natural flavonol found in many foods, including apples, onions and tea, has exhibited prolonged and strong antibiofilm and anti-inflammatory effects both in vitro and in vivo. However, its clinical application is limited by its poor stability and water solubility, as well as its low bioavailability. Thus, in the present study, electrospun polylactic acid (PLA) nanofibers loaded with different amounts (5–10% w/w) of QUE were produced to rapidly respond to the acidic microenvironment typical of periodontal pockets during periodontal disease. This strategy demonstrated that PLA-QUE membranes can act as a drug reservoir releasing high QUE concentrations in the presence of oral bacterial infection (pH < 5.5), and thus limiting Pseudomonas aeruginosa PAO1 and Streptococcus mutans biofilm maturation. In addition, released QUE exerts antioxidant and anti-inflammatory effects on P. gingivalis Lipopolysaccharide (LPS)-stimulated human gingival fibroblast (HGFs). The reported results confirmed that PLA-QUE membranes could inhibit subgingival biofilm maturation while reducing interleukin release, thereby limiting host inflammatory response. Overall, this study provided an effective pH-sensitive drug delivery system as a promising strategy for treating periodontitis. 相似文献