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211.
Scroll waves are three-dimensional excitation patterns that rotate around one-dimensional space curves. Typically these filaments are closed loops or end at the system boundary. However, in excitable media with anomalous dispersion, filaments can be pinned to the wake of traveling wave pulses. This pinning is studied in experiments with the 1,4-cyclohexanedione Belousov-Zhabotinsky reaction and a three-variable reaction-diffusion model. We show that wave-pinned filaments are related to the coexistence of rotating and translating wave defects in two dimensions. Filament pinning causes a continuous expansion of the total filament length. It can be ended by annihilating the pinning pulse in a frontal wave collision. Following such an annihilation, the filament connects itself to the system boundary. Its postannihilation shape that is initially the exposed rim of the scroll wave unwinds continuously over numerous rotation periods. 相似文献
212.
213.
Chinh Tam Le Daniel J. Clark Farman Ullah Velusamy Senthilkumar Joon I. Jang Yumin Sim Maeng‐Je Seong Koo‐Hyun Chung Hyoyeol Park Yong Soo Kim 《Annalen der Physik》2016,528(7-8):551-559
In this study, we utilized picosecond pulses from an Nd:YAG laser to investigate the nonlinear optical characteristics of monolayer MoSe2. Two‐step growth involving the selenization of pulsed‐laser‐deposited MoO3 film was employed to yield the MoSe2 monolayer on a SiO2/Si substrate. Raman scattering, photoluminescence (PL) spectroscopy, and atomic force microscopy verified the high optical quality of the monolayer. The second‐order susceptibility χ(2) was calculated to be ~50 pm V?1 at the second harmonic wavelength ~810 nm, which is near the optical gap of the monolayer. Interestingly, our wavelength‐dependent second harmonic scan can identify the bound excitonic states including negatively charged excitons much more efficiently, compared with the PL method at room temperature. Additionally, the MoSe2 monolayer exhibits a strong laser‐induced damage threshold ~16 GW cm?2 under picosecond‐pulse excitation. Our findings suggest that monolayer MoSe2 can be considered as a promising candidate for high‐power, thin‐film‐based nonlinear optical devices and applications. 相似文献
214.
Hausdorff continuity of approximate solution maps to parametric primal and dual equilibrium problems
In this paper, we consider parametric primal and dual equilibrium problems in locally convex Hausdorff topological vector spaces. Sufficient conditions for the approximate solution maps to be Hausdorff continuous are established. We provide many examples to illustrate the essentialness of the imposed assumptions. As applications of these results, the Hausdorff continuity of the approximate solution maps for optimization problems, variational inequalities and fixed-point problems are derived. 相似文献
215.
The distance function \({\varrho(p, q) ({\rm or} d(p, q))}\) of a distance space (general metric space) is not differentiable in general. We investigate such distance spaces over \({\mathbb{R}^n}\), whose distance functions are differentiable like in case of Finsler spaces. These spaces have several good properties, yet they are not Finsler spaces (which are special distance spaces). They are situated between general metric spaces (distance spaces) and Finsler spaces. We will investigate such curves of differentiable distance spaces, which possess the same properties as geodesics do in Finsler spaces. So these curves can be considered as forerunners of Finsler geodesics. They are in greater plenitude than Finsler geodesics, but they become geodesics in a Finsler space. We show some properties of these curves, as well as some relations between differentiable distance spaces and Finsler spaces. We arrive to these curves and to our results by using distance spheres, and using no variational calculus. We often apply direct geometric considerations. 相似文献
216.
István Zapf Medhi Moezzi Tamás Fekecs Klára Nedvig Dénes Lőrinczy Andrea Ferencz 《Journal of Thermal Analysis and Calorimetry》2016,123(3):2029-2035
Damage caused by oxidative stress is involved in many types of diseases, including breast cancer. Our aim was to detect the oxidative stress parameters and blood plasma changes with differential scanning calorimetry (DSC) in breast cancer patients. The study included 40 adult breast cancer women who were grouped according to tumor diameter, regional lymph node metastases, proliferative activity, receptor status and postoperative chemotherapy. To monitor oxidative stress, malondialdehyde, oxygen free radicals (OFRs), activity of myeloperoxidase (MPO), superoxide dismutase (SOD) and catalase (CAT) were measured. Denaturation of plasma components was detected in Setaram Micro DSC-II calorimeter. The total production of OFRs, the MPO activity and lipidperoxidation were significantly increased in each breast cancer patients considering the tumor size, the metastatic lymph nodes, the proliferation activity and receptor status compared with healthy controls (p < 0.05). These pro-oxidants were slightly elevated without chemotherapy, but their values were increased significantly in chemotherapy-receiving group. The activity of SOD and CAT was significantly decreased in all groups, and in regard to the chemotherapy, they were changed significantly parallel to the severity of disease. Regarding to both the increased tumor diameter and the increased number of affected lymph nodes, DSC measurements showed a strong relationship between the maximum excess heat capacity (Cpmax) of the blood plasma and the severity of disease. The study demonstrated that oxidative stress is implicated in breast carcinoma and chemotherapy aggravates these changes which confirmed the plasma DSC measurements also. 相似文献
217.
The regioselective synthesis and Diels-Alder cycloaddition of 3-(3,4-dimethoxyphenyl)-5-bromo-2-pyrone provided a new efficient synthetic route to joubertinamine (9.6% total yield over 10 steps). 相似文献
218.
The aim of this work was to answer the question of whether the general amber force field (GAFF) is good enough to simulate fully hydrated POPC membrane bilayers. The test system contained 128 POPC and 2985 TIP3P water molecules. The equilibration was carried out in a nonarbitrary manner to reach the stable liquid-crystalline phase. The simulations were performed by using particle mesh Ewald electrostatics implemented in molecular dynamics packages Amber8 (NPT ensembles) and NAMD2 (NPgammaT ensembles). The computational results were assessed against the following experimental membrane properties: (i) area per lipid, (ii) area compressibility modulus, (iii) order parameter, (iv) gauche conformations per acyl chain, (v) lateral diffusion coefficients, (vi) electron density profile, and (vii) bound water at the lipid/water interface. The analyses revealed that the tested force field combination approximates the experimental values at an unexpectedly good level when the NPgammaT ensemble is applied with a surface tension of 60 mN m(-1) per bilayer. It is concluded that the GAFF/TIP3P combination can be utilized for aqueous membrane bilayer simulations, as it provides acceptable accuracy for biomolecular modeling. 相似文献
219.
Fortman GC Kégl T Li QS Zhang X Schaefer HF Xie Y King RB Telser J Hoff CD 《Journal of the American Chemical Society》2007,129(46):14388-14400
Conversion of N=N=CHSiMe3 to O=C=CHSiMe3 by the radical complexes .Cr(CO)3C5R5 (R = H, CH3) derived from dissociation of [Cr(CO)3(C5R5)]2 have been investigated under CO, Ar, and N2 atmospheres. Under an Ar or N2 atmosphere the reaction is stoichiometric and produces the Cr[triple bond]Cr triply bonded complex [Cr(CO)2(C5R5)]2. Under a CO atmosphere regeneration of [Cr(CO)3(C5R5)]2 (R = H, CH3) occurs competitively and conversion of diazo to ketene occurs catalytically as well as stoichiometrically. Two key intermediates in the reaction, .Cr(CO)2(ketene)(C5R5) and Cr2(CO)5(C5R5)2 have been detected spectroscopically. The complex .Cr(13CO)2(O=13C=CHSiMe3)(C5Me5) has been studied by electron spin resonance spectroscopy in toluene solution: g(iso) = 2.007; A(53Cr) = 125 MHz; A(13CO) = 22.5 MHz; A(O=13C=CHSiMe3) = 12.0 MHz. The complex Cr2(CO)5(C5H5)2, generated in situ, does not show a signal in its 1H NMR and reacts relatively slowly with CO. It is proposed to be a ground-state triplet in keeping with predictions based on high level density functional theory (DFT) studies. Computed vibrational frequencies are also in good agreement with experimental data. The rates of CO loss from 3Cr2(CO)5(C5H5)2 producing 1[Cr(CO)2(C5H5)]2 and CO addition to 3Cr2(CO)5(C5H5)2 producing 1[Cr(CO)3(C5H5)]2 have been measured by kinetics and show DeltaH approximately equal 23 kcal mol(-1) for both processes. Enthalpies of reduction by Na/Hg under CO atmosphere of [Cr(CO)n(C5H5)]2 (n = 2,3) have been measured by solution calorimetry and provide data for estimation of the Cr[triple bond]Cr bond strength in [Cr(CO)2(C5H5)]2 as 72 kcal mol(-1). The complex [Cr(CO)2(C5H5)]2 does not readily undergo 13CO exchange at room temperature or 50 degrees C implying that 3Cr2(CO)5(C5H5)2 is not readily accessed from the thermodynamically stable complex [Cr(CO)2(C5H5)]2. A detailed mechanism for metalloradical based conversion of diazo and CO to ketene and N2 is proposed on the basis of a combination of experimental and theoretical data. 相似文献
220.
The current ability of ab initio models to compute chiroptical properties such as optical rotatory dispersion and electronic circular dichroism spectra is reviewed. Comparison between coupled cluster linear response theory and experimental data (both gas and liquid phase) yields encouraging results for small to medium-sized chiral molecules including rigid species such as (S)-2-chloropropionitrile and (P)-[4]triangulane, as well as conformationally flexible molecules such as (R)-epichlorohydrin. More problematic comparisons are offered by (S)-methyloxirane, (S)-methylthiirane, and (1S,4S)-norbornenone, for which the comparison between theory and experiment is much poorer. The impact of basis-set incompleteness, electron correlation, zero-point vibration, and temperature are discussed. In addition, future prospects and obstacles for the development of efficient and reliable quantum chemical models of optical activity are discussed, including the problem of gauge invariance, scaling of the coupled cluster approach with system size, and solvation. 相似文献