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排序方式: 共有123条查询结果,搜索用时 15 毫秒
21.
Maria Novella Romanelli Silvia Dei Serena Scapecchi Elisabetta Teodori Fulvio Gualtieri Roberta Budriesi Raimund Mannhold 《Journal of computer-aided molecular design》1994,8(2):123-134
Summary In this work the rigid-analogue approach has been used to obtain information on the active conformation(s) of the calcium antagonist verapamil. A series of semi-rigid analogues of verapamil were synthesized and their biological activities evaluated on guinea-pig heart and aorta. These molecules were analysed by means of molecular modelling techniques.On the basis of the pharmacological profile and conformational analysis of these compounds, two different models for negative inotropic and negative chronotropic activity are proposed. The two actions seem to be due to conformations of the molecules which differ in the orientation of their phenylethylamino groups. 相似文献
22.
Gabriela Marinoschi Rosa Maria Mininni Silvia Romanelli 《Journal of Optimization Theory and Applications》2017,173(1):56-77
We deal with an optimal control problem in coefficients for a strongly degenerate diffusion equation with interior degeneracy, which is due to the nonnegative diffusion coefficient vanishing with some rate at an interior point of a multi-dimensional space domain. The optimal controller is searched in the class of functions having essentially bounded partial derivatives. The existence of the state system and of the optimal control are proved in a functional framework constructed on weighted spaces. By an approximating control process, explicit approximating optimality conditions are deduced, and a representation theorem allows one to express the approximating optimal control as the solution to the eikonal equation. Under certain hypotheses, further properties of the approximating optimal control are proved, including uniqueness in some situations. The uniform convergence of a sequence of approximating controllers to the solution of the exact control problem is provided. The optimal controller is numerically constructed in a square domain. 相似文献
23.
An efficient and low-cost protocol for the manual synthesis of Peptide Nucleic Acids is reported here. The protocol relies on coupling reactions carried out with 2.5 equiv of PNA monomers activated with HOBT/HBTU, in the presence of pyridine/NMM. The protocol has been tested on four PNA oligomers with a length ranging from 9 to 12 bases and a purine content up to 67%. 相似文献
24.
Ivanildo A. Brito Fernanda Thevenard Thais A. Costa-Silva Samuel S. Oliveira Rodrigo L. O. R. Cunha Emerson A. de Oliveira Patricia Sartorelli Rafael C. Guadagnin Maiara M. Romanelli Andre G. Tempone Joo Henrique G. Lago 《Molecules (Basel, Switzerland)》2022,27(3)
As part of our continuous studies involving the prospection of natural products from Brazilian flora aiming at the discovery of prototypes for the development of new antiparasitic drugs, the present study describes the isolation of two natural acetylene acetogenins, (2S,3R,4R)-3-hydroxy-4-methyl-2-(n-eicos-11′-yn-19′-enyl)butanolide (1) and (2S,3R,4R)-3-hydroxy-4-methyl-2-(n-eicos-11′-ynyl)butanolide (2), from the seeds of Porcelia macrocarpa (Warm.) R.E. Fries (Annonaceae). Using an ex-vivo assay, compound 1 showed an IC50 value of 29.9 μM against the intracellular amastigote forms of Leishmania (L.) infantum, whereas compound 2 was inactive. These results suggested that the terminal double bond plays an important role in the activity. This effect was also observed for the semisynthetic acetylated (1a and 2a) and eliminated (1b and 2b) derivatives, since only compounds containing a double bond at C-19 displayed activity, resulting in IC50 values of 43.3 μM (1a) and 23.1 μM (1b). In order to evaluate the effect of the triple bond in the antileishmanial potential, the mixture of compounds 1 + 2 was subjected to catalytic hydrogenation to afford a compound 3 containing a saturated side chain. The antiparasitic assays performed with compound 3, acetylated (3a), and eliminated (3b) derivatives confirmed the lack of activity. Furthermore, an in-silico study using the SwissADME online platform was performed to bioactive compounds 1, 1a, and 1b in order to investigate their physicochemical parameters, pharmacokinetics, and drug-likeness. Despite the reduced effect against amastigote forms of the parasite to the purified compounds, different mixtures of compounds 1 + 2, 1a + 2a, and 1b + 2b were prepared and exhibited IC50 values ranging from 7.9 to 38.4 μM, with no toxicity for NCTC mammalian cells (CC50 > 200 μM). Selectivity indexes to these mixtures ranged from >5.2 to >25.3. The obtained results indicate that seeds of Porcelia macrocarpa are a promising source of interesting prototypes for further modifications aiming at the discovery of new antileishmanial drugs. 相似文献
25.
Angelo Favini Gisle Ruiz Goldstein Jerome A. Goldstein Silvia Romanelli 《Mathematische Nachrichten》2002,238(1):78-102
We deal with the problem of analyticity for the semigroup generated by the second order differential operator Au ≔ αu″ + βu′ (or by some restrictions of it) in the spaces Lp(0, 1), with or without weight, and in W1,p(0, 1), 1 < p < ∞. Here α and β are assumed real‐valued and continuous in [0, 1], with α(x) > 0 in (0, 1), and the domain of A is determined by the generalized Neumann boundary conditions and by Wentzell boundary conditions. 相似文献
26.
J. F. Romanelli J. W. Mayer E. J. Kramer T. P. Russell 《Journal of Polymer Science.Polymer Physics》1986,24(2):263-277
Rutherford backscattering spectrometry with a 2.1-meV He2+ion beam is used to measure the diffusion of iodine into polyamic acid and polyimide films. The iodine diffusion coefficient D decreases from its initial value of about 2X10?13cm2/s in polyamic acid to approximately 1.4 × 10?15cm2/s in partially cured polyimide, but then increases to a value of nearly 1.5 × 10?14 cm2/s in fully cured polyimide. This dramatic increase in D cannot be attributed to the “in-plane” biaxial orientation of the polyimide molecules since indential D's were found with isotropic specimens. Microvoids less than 2 nm in size caused by water and carbon dioxide formation during imidization may, however, give rise to the observed behavior. The results demonstrate that Rutherford backscattering spectrometry with its excellent depth resolution (better than 30 nm) and good sensitivity (50 ppm iodine can be detected) is very useful for measuring the diffusion of slowly diffusing species in glassy polymers. 相似文献
27.
An array of overdamped bistable oscillators with delay was studied numerically. Each site of the array is coupled directionally with the addition of white Gaussian noise. On the other hand, we compared the results with an array of coupled chain of experimental devices, also fed with Gaussian white noise. We observed for an optimal amount of noise and moderated coupling good transmission along the line without degradation. 相似文献
28.
C [0,1], α > 0 in (0,1) and α(1), we consider the second order differential operator on C[0,1] defined by Au: = αu″ + βu′, where D(A) may include Wentzell boundary conditions. Under integrability conditions involving √α and β/√α, we prove the
analyticity of the semigroup generated by (A,D(A)) on Co[0,1], Cπ[0,1] and on C[0,1], where Co[0,1]: {u∈ C[0,1]|u (1)} and Cπ[0,1]: = {u∈ C[0,1]| u (0) = u (1)}. We also prove different characterizations of D(A) related to some results in [1], where β≡ 0, exhibiting peculiarities
of Wentzell boundary conditions. Applications can be derived for the case αx = x
k (1 - x )kγ(x )(k≥j/2, x∈ [0,1], γ∈ C{0,1}). 相似文献
29.
We build new quantum games, similar to the spin flip game, where as a novelty the players perform measurements on a quantum system associated to a continuous time search algorithm. The measurements collapse the wave function into one of the two possible states. These games are characterized by a continuous space of strategies and the selection of a particular strategy is determined by the moments when the players measure. 相似文献
30.
We study in detail the effect of the anticorrelation of the polarization modes on the total intensity noise of a vertical-cavity surface-emitting laser. We show that small polarization-dependent losses can greatly improve the total intensity noise, and we determine and experimentally demonstrate the conditions necessary for optimal intensity noise reduction. 相似文献