Strong convergence rates for nonlinearity-truncated Euler-type approximations of stochastic Ginzburg–Landau equations

This article proposes and analyzes explicit and easily implementable temporal numerical approximation schemes for additive noise-driven stochastic partial differential equations (SPDEs) with polynomial nonlinearities such as, e.g., stochastic Ginzburg–Landauequations. We prove essentially sharp strong convergence rates for the considered approximation schemes. Our analysis is carried out for abstract stochastic evolution equations on separable Banach and Hilbert spaces including the above mentioned SPDEs as special cases. We also illustrate our strong convergence rate results by means of a numerical simulation in Matlab.     

Lecythomycin, a new macrolactone glycoside from the endophytic fungus Lecythophora sp

A new macrolactone glycoside, lecythomycin (1), 23-methyl-3-(1-O-mannosyl)-oxacyclotetracosan-1-one, was isolated from the endophytic fungus Lecythophora sp. (code 30.1), an endopyte of the Indonesian plant Alyxia reinwardtii. The structure of 1 was elucidated on the basis of NMR spectroscopic and mass spectrometric data. The isolated compound displayed antifungal activity against strains of Aspergillus fumigatus and Candida kruzei at minimal inhibitory concentrations (MIC) of 62.5-125 microg/mL.     

Simulation of the Raman spectra of zwitterionic glycine + nH2O (n = 1, 2, …, 5) by means of DFT calculations and comparison to the experimentally observed Raman spectra of glycine in aqueous medium

Raman spectra of an aqueous solution of glycine (Gly) have been recorded in the range of 400-2000 cm⁻¹. In aqueous solution, glycine molecules exist in their zwitterionic form, having two opposite charged poles, COO⁻ and NH₃⁺. The zwitterionic structure of glycine (ZGly) is stabilized by the hydrogen bond interaction of water (W) molecules. In the present report, we have optimized the ground state geometries of different hydrogen bonded complexes of [ZGly + (W)_n=1-5] in aqueous medium using DFT calculations at the B3LYP/6-311++G(d) level of theory. A comparative discussion on the structural details and binding energies (BEs) of each conformer has been also done. The theoretical Raman spectra were calculated corresponding to the most stable [ZGly + (W)_n=1-5] conformers. The theoretically simulated Raman spectra of each stable conformer were compared with experimentally observed Raman spectra to explore the number of water molecules needed for stabilizing the structure of ZGly. The theoretically simulated Raman spectra corresponding to the most stable conformer of [ZGly + (W)₅] having a BE of −22.8 kcal/mol, are matching nicely with the experimentally observed Raman spectra. Thus, on the basis of the above observations, we conclude that the conformer, [ZGly + (W)₅] is the most probable conformer in the aqueous medium. We also believe that in the conformer, [ZGly + (W)₅] the five water molecules are arranged around the ZGly in such a way that the effect of steric hindrance is less compared to the other conformers. The dipole-dipole interaction potential (DDP) is also calculated corresponding to the strongest hydrogen bond for each [ZGly + (W)_n=1-5] conformer.     

The metal-insulator transition in disordered solids: How theoretical prejudices influence its characterization A critical review of analyses of experimental data

In a recent experimental study, Siegrist et al. [Nature Materials 10, 202–208 (2011)] investigated the metal-insulator transition (MIT) induced by annealing in GeSb₂Te₄. The authors concluded that this phase-change material exhibits a discontinuous MIT with finite minimum metallic conductivity. The striking contrast between their work and reports on many other disordered substances from the last decades motivates the present in-depth study of the influence of the MIT criterion used on the character of the MIT derived.

First, we discuss in detail the inherent biases of various approaches to locating the MIT. Second, reanalyzing GeSb₂Te₄ data, we show that this material resembles other disordered solids to a large extent: according to a widely-used approach, its temperature dependences of the conductivity, σ(T), may likewise be interpreted in terms of a continuous MIT. Third, examining previous experimental studies of crystalline Si:As, Si:P, Si:B, Ge:Ga, CdSe:In, n-Cd_0:95Mn_0:05Se, Cd_0:95Mn_0:05Te_0:97Se_0:03:In, disordered Gd, and nanogranular Pt-C, we detect substantial problems in the interpretations of σ(T) in numerous studies which claim the MIT to be continuous: Evaluating the logarithmic derivative d?ln?σ/d?ln?T highlights serious inconsistencies. In part, they are common to all such studies and seem to be generic, in part, they vary from experiment to experiment. Fourth, for four qualitatively different phenomenological models of the temperature and control parameter dependence of the conductivity, we present the respective flow diagrams of d?ln?σ/d?ln?T. In consequence, the likely generic inconsistencies seem to originate from the MIT being discontinuous, in contradiction to most of the original interpretations.

Because of the large number and diversity of the experiments considered, these inconsistencies provide overwhelming evidence against the common, localization theory motivated interpretations. The primary challenges now lie in improving measurement precision and accuracy, rather than in extending the temperature range, and in developing a microscopic theory which explains the seemingly generic features of d?ln?σ/d?ln?T.     

Broadband fluorescence reveals mechanistic differences in excited-state proton transfer to protic and aprotic solvents

Excited-state proton transfer (ESPT) to solvent is often explained according to the two-step Eigen–Weller model including a contact ion pair (CIP*) as an intermediate, but general applicability of the model has not been thoroughly examined. Furthermore, examples of the spectral identification of CIP* are scarce. Here, we report on a detailed investigation of ESPT to protic (H₂O, D₂O, MeOH and EtOH) and aprotic (DMSO) solvents utilizing a broadband fluorescence technique with sub-200 fs time resolution. The time-resolved spectra are decomposed into contributions from the protonated and deprotonated species and a clear signature of CIP* is identified in DMSO and MeOH. Interestingly, the CIP* intermediate is not observable in aqueous environment although the dynamics in all solvents are multi-exponential. Global analysis based on the Eigen–Weller model is satisfactory in all solvents, but the marked mechanistic differences between aqueous and organic solvents cast doubt on the physical validity of the rate constants obtained.

Time-resolved broadband fluorescence facilitates direct observation of reaction intermediates in excited-state proton transfer to solvent in protic and aprotic solvents.     

Short Optimally Capped Duplex DNA as Conformationally Restricted Analogue of B-DNA

We describe the synthesis of short double-stranded DNA fragments (see 4 and 13 ) which are capped on both ends by an optimally designed linker molecule. The new structures are stable with respect to hybrid dissociation and should have implications in physical studies involving double-stranded DNA as well as in the antisense area for the specific modulation of gene expressions.     

Rearrangement of tetrazole ethers willi iodide ions

O to N Alkyl migration in 1-aryl-5-alkoxytetrazoles was observed on healing the substrates in the presence of sodium iodide. Unlike in similar rearrangements, methyl transfer did not occur in the presence of methyl iodide alone. Solvent effects were also investigated.     

Direct observation of the angular distribution of the chemiluminescence from Ba + N2O → BaO + N2

The angular distribution of the chemiluminescent reaction Ba + N₂O → BaO + N₂ has been investigated by photographing directly the chemiluminescence from this reaction in a crossed beam experiment. It was found that the lifetime of the reactively scattered chemiluminescent BaO molecules is sufficiently long (≈ 10^?s δ) to allow the observation of the angular distribution. From the dependence of this distribution on R and ? where R is the distance from the scattering center and ? the laboratory scattering angle, we conclude that under single collision conditions the chemiluminescence arises preferentially from highly excited vibrational-rotational levels of the A′¹ Π state of BaO.