排序方式: 共有87条查询结果,搜索用时 15 毫秒
51.
Dr. Matthias Ferger Chantal Roger Eva Köster Dr. Florian Rauch Sabine Lorenzen Dr. Ivo Krummenacher Dr. Alexandra Friedrich Marta Košćak Dr. Davor Nestić Prof. Dr. Holger Braunschweig Prof. Dr. Christoph Lambert Dr. Ivo Piantanida Prof. Dr. Todd B. Marder 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(48):e202201130
Three novel tetracationic bis-triarylboranes with 3,4-ethylenedioxythiophene (EDOT) linkers, and their neutral precursors, showed significant red-shifted absorption and emission compared to their thiophene-containing analogues, with one of the EDOT-derivatives emitting in the NIR region. Only the EDOT-linked trixylylborane tetracation was stable in aqueous solution, indicating that direct attachment of a thiophene or even 3-methylthiophene to the boron atom is insufficient to provide hydrolytic stability in aqueous solution. Further comparative analysis of the EDOT-linked trixylylborane tetracation and its bis-thiophene analogue revealed efficient photo-induced singlet oxygen production, with the consequent biological implications. Thus, both analogues bind strongly to ds-DNA and BSA, very efficiently enter living human cells, accumulate in several different cytoplasmic organelles with no toxic effect but, under intense visible light irradiation, they exhibit almost instantaneous and very strong cytotoxic effects, presumably attributed to singlet oxygen production. Thus, both compounds are intriguing theranostic agents, whose intracellular and probably intra-tissue location can be monitored by strong fluorescence, allowing switching on of the strong bioactivity by well-focused visible light. 相似文献
52.
The adaptation of deep learning models within safety-critical systems cannot rely only on good prediction performance but needs to provide interpretable and robust explanations for their decisions. When modeling complex sequences, attention mechanisms are regarded as the established approach to support deep neural networks with intrinsic interpretability. This paper focuses on the emerging trend of specifically designing diagnostic datasets for understanding the inner workings of attention mechanism based deep learning models for multivariate forecasting tasks. We design a novel benchmark of synthetically designed datasets with the transparent underlying generating process of multiple time series interactions with increasing complexity. The benchmark enables empirical evaluation of the performance of attention based deep neural networks in three different aspects: (i) prediction performance score, (ii) interpretability correctness, (iii) sensitivity analysis. Our analysis shows that although most models have satisfying and stable prediction performance results, they often fail to give correct interpretability. The only model with both a satisfying performance score and correct interpretability is IMV-LSTM, capturing both autocorrelations and crosscorrelations between multiple time series. Interestingly, while evaluating IMV-LSTM on simulated data from statistical and mechanistic models, the correctness of interpretability increases with more complex datasets. 相似文献
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54.
For the flow determined by a nonautonomous linear differential equation, we characterize the existence of a strong nonuniform exponential dichotomy in terms of the Fredholm property of a certain linear operator. We consider both cases of one-sided and two-sided exponential dichotomies. Moreover, we use the characterizations to establish the robustness of the notion of a strong nonuniform exponential dichotomy in a simple manner. 相似文献
55.
For an arbitrary evolution family, we consider the notion of an exponential dichotomy with respect to a family of norms and characterize it completely in terms of the admissibility of bounded solutions, that is, the existence of a unique bounded solution for each bounded perturbation. In particular, by considering a family of Lyapunov norms, we recover the notion of a nonuniform exponential dichotomy. As a nontrivial application of the characterization, we establish the robustness of the notion of an exponential dichotomy with respect to a family of norms under sufficiently small Lipschitz and C 1 parameterized perturbations. Moreover, we establish the optimal regularity of the dependence on the parameter of the projections onto the stable spaces of the perturbation. 相似文献
56.
Tatijana Markoska Davor Daniloski Todor Vasiljevic Thom Huppertz 《Molecules (Basel, Switzerland)》2021,26(24)
This study investigated structural changes in β-casein as a function of temperature (4 and 20 °C) and pH (5.9 and 7.0). For this purpose, nuclear magnetic resonance (NMR) and Fourier-transform infrared (FTIR) spectroscopy were used, in conjunction with chemometric analysis. Both temperature and pH had strongly affected the secondary structure of β-casein, with most affected regions involving random coils and α-helical structures. The α-helical structures showed great pH sensitivity by decreasing at 20 °C and diminishing completely at 4 °C when pH was increased from 5.9 to 7.0. The decrease in α-helix was likely related to the greater presence of random coils at pH 7.0, which was not observed at pH 5.9 at either temperature. The changes in secondary structure components were linked to decreased hydrophobic interactions at lower temperature and increasing pH. The most prominent change of the α-helix took place when the pH was adjusted to 7.0 and the temperature set at 4 °C, which confirms the disruption of the hydrogen bonds and weakening of hydrophobic interactions in the system. The findings can assist in establishing the structural behaviour of the β-casein under conditions that apply as important for solubility and production of β-casein. 相似文献
57.
The interfacial properties of the system titanium(IV) oxide/poly(4-styrenesulfonate) (PSS) over a broad pH region in the presence of different alkali metal chlorides of different concentrations were investigated by means of electrokinetic, adsorption and surface potential measurements. Adsorption and electrokinetic data were obtained with colloid TiO2 particles, while surface potential data were obtained using a single crystal rutile electrode with the 001 plane exposed to the liquid medium. The electrokinetic and surface potentials of TiO2 were measured in the absence and presence of PSS. Since the presence of PSS did not significantly affect surface potentials, it was concluded that negative PSS molecules adsorbed at the surface by forming an outer-sphere surface complex rather than inner-sphere complex. The adsorption decreases significantly with pH, while the electrokinetic potential in the presence of PSS is negative in the whole investigated pH region. Amount of adsorbed PSS molecules is limited by the electrostatic repulsion which suppresses further adsorption, i.e. above critical potential of ?50 millivolts. In the acidic region, where the surface is originally positively charged the amount of adsorbed PSS molecules is high since negative PSS molecules should at first compensate original positive charge and in the second step reverse the charge to reach the critical potential. In the basic region the surface charge is already negative so that small amount of adsorbed PSS molecules creates critical potential that prevents further adsorption. 相似文献
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V Strukil D Margetić MD Igrc M Eckert-Maksić T Friščić 《Chemical communications (Cambridge, England)》2012,48(78):9705-9707
ortho- and para-Phenylenediamines were desymmetrised and quantitatively transformed into mono- and bis-(thio)ureas or mixed thiourea-ureas through a one-pot mechanochemical click reaction sequence; mechanochemical desymmetrisation proceeds quantitatively without excess reagents and allows the controlled extension of a molecular structure by combining normally competing reactions. 相似文献
59.
Davor Margeti? Mirjana Eckert-Maksi? ?eljko Marini? 《Journal of fluorine chemistry》2010,131(3):408-1588
The stereochemical outcome of reaction of 2,5-bis-trifluoromethyl-1,3,4-oxadiazole with 7-oxanorbornenes under various conditions was investigated. For the first time, microwave irradiation in carrying this type of reactions was used, resulting in comparable yields in significantly shorter reaction times. Regardless on substrate, in all reactions mixtures of the two isomeric O3-[3]polynorbornanes, bent and linear were obtained, with slight preference for bent structure. In some cases, retro Diels-Alder fragmentation was observed resulting in formation of isobenzofuran species. Reaction mechanism was also studied computationally (RHF/6-31G* method), and the origin of stereoselectivity explained by repulsive lone pair interactions between oxygen bridges in the transition state of the 1,3-dipolar addition. 相似文献
60.
Martina Sudar Davor Valinger Zvjezdana Findrik Đurđa Vasić-Rački Želimir Kurtanjek 《Applied biochemistry and biotechnology》2013,169(3):1039-1055
Cell disruption process of dry baker's yeast was studied in this work to obtain maximum activity of alcohol dehydrogenase (ADH). Disruption by ultrasonication, glass beads, and combination of these two methods was compared. A 1.8-fold increase of ADH activity can be achieved by combining glass beads with ultrasonication in comparison to ultrasonication. To achieve maximum volume activity of ADH, the effect of different variables on the cell disruption process was investigated (time, glass bead diameter, mass of glass beads, and ultrasound amplitude). Using the Design-Expert© software, 24 factorial experimental design was performed. Two ultrasound probes were tested: MS 73 and KE 76. Optimal conditions (process variables) for cell disruption process were obtained. Optimal ADH activities after cell disruption with MS 73 and KE 76 probes were 1,890.9 and 1,531.7 U cm?3, respectively. Necessary ultrasonication time and ultrasound amplitude should be at the maximum values in the investigated variable range (30 min and 62 %). Bead size should be at maximum (4 mm) when using MS 73 probe and at minimum (0.3 mm) when using KE 76 probe. Partial purification of the enzyme was carried out and it was kinetically characterized using several oxidation and reduction systems. 相似文献