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991.
Norberto Manfredi Alberto Bianchi Valerio Causin Riccardo Ruffo Roberto Simonutti Alessandro Abbotto 《Journal of polymer science. Part A, Polymer chemistry》2014,52(5):719-727
The first use of PSn‐b‐PEOm‐b‐PSn block copolymers (PS = polystyrene, PEO = poly(ethylene oxide)) as solid hosts for iodine/iodide electrolytes in dye‐sensitized solar cells (DSSCs) is described. Using the benchmark photosensitizer N719, DSSC based on the quasi solid‐state electrolytes afforded efficiencies up to 6.7%, to be compared with an efficiency of 7.3% obtained in similar conditions with a conventional iodine/iodide liquid electrolyte. By varying the PS:PEO relative volume ratio in the block copolymers different properties and morphologies were obtained. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2014 , 52, 719–727 相似文献
992.
Alberto Fernández-Alarcón Dr. José Manuel Guevara-Vela José Luis Casals-Sainz Dr. Aurora Costales Dr. Evelio Francisco Dr. Ángel Martín Pendás Dr. Tomás Rocha Rinza 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(71):17035-17045
The development of chemical intuition in photochemistry faces several difficulties that result from the inadequacy of the one-particle picture, the Born–Oppenheimer approximation, and other basic ideas used to build models. It is shown herein how real-space approaches can be efficiently used to gain valuable insights in photochemistry through a simple example of red and blue shift effects: the double hypso- and bathochromic shifts in the low-lying valence excited states of (H2O)2. It is demonstrated that 1) the use of these techniques allows the perturbative language used in the theory of intermolecular interactions, even in the strongly interacting short-range regime, to be maintained; 2) one and only one molecule is photoexcited in each of the addressed excited states and 3) the electrostatic interaction between the in-the-cluster molecular dipoles provides a fairly intuitive rationalisation of the observed batho- and hypsochromism. The methods exploited and illustrated herein are able to maintain the individuality and properties of the interacting entities in a molecular aggregate, and thereby they allow chemical intuition in general states, at any geometry and using a broad variety of electronic structure methods to be kept and built. 相似文献
993.
Alberto Cattaneo 《Mathematische Nachrichten》2019,292(10):2137-2152
We study automorphisms of the Hilbert scheme of n points on a generic projective K3 surface S, for any . We show that is either trivial or generated by a non‐symplectic involution and we determine numerical and divisorial conditions which allow us to distinguish between the two cases. As an application of these results we prove that, for any , there exist infinitely many admissible degrees for the polarization of the K3 surface S such that admits a non‐natural involution. This provides a generalization of the results of [7] for . 相似文献
994.
995.
Alberto Blzquez-Moraleja Ines Senz-de-Santa María María D. Chiara Delia lvarez-Fernndez Inmaculada García-Moreno Ruth Prieto-Montero Virginia Martínez-Martínez Iigo Lpez Arbeloa Jose Luis Chiara 《Chemical science》2020,11(4):1052
The first fluorescent probes that are actively channeled into the mitochondrial matrix by a specific mitochondrial membrane transporter in living cells have been developed. The new functional probes (BCT) have a minimalist structural design based on the highly efficient and photostable BODIPY chromophore and carnitine as a biotargeting element. Both units are orthogonally bonded through the common boron atom, thus avoiding the use of complex polyatomic connectors. In contrast to known mitochondria-specific dyes, BCTs selectively label these organelles regardless of their transmembrane potential and in an enantioselective way. The obtained experimental evidence supports carnitine–acylcarnitine translocase (CACT) as the key transporter protein for BCTs, which behave therefore as acylcarnitine biomimetics. This simple structural design can be readily extended to other structurally diverse starting F-BODIPYs to obtain BCTs with varied emission wavelengths along the visible and NIR spectral regions and with multifunctional capabilities. BCTs are the first fluorescent derivatives of carnitine to be used in cell microscopy and stand as promising research tools to explore the role of the carnitine shuttle system in cancer and metabolic diseases. Extension of this approach to other small-molecule mitochondrial transporters is envisaged.A BODIPY derivative of carnitine enters mitochondria regardless of their membrane potential and in an enantioselective way through a specific mitochondrial membrane transporter in living cells. 相似文献
996.
Journal of Statistical Physics - We characterize the non equilibrium stationary states in two classes of systems where phase transitions are present. We prove that the interface in the limit is a... 相似文献
997.
Dr. Siddhartha De Dr. Alexandrine Flambard Dr. Delphine Garnier Patrick Herson Dr. Frank H. Köhler Dr. Abhishake Mondal Dr. Karine Costuas Dr. Béatrice Gillon Prof. Rodrigue Lescouëzec Dr. Boris Le Guennic Dr. Frédéric Gendron 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(52):12120-12136
The local magnetic structure in the [FeIII(Tp)(CN)3]− building block was investigated by combining paramagnetic Nuclear Magnetic Resonance (pNMR) spectroscopy and polarized neutron diffraction (PND) with first-principle calculations. The use of the pNMR and PND experimental techniques revealed the extension of spin-density from the metal to the ligands, as well as the different spin mechanisms that take place in the cyanido ligands: Spin-polarization on the carbon atoms and spin-delocalization on the nitrogen atoms. The results of our combined density functional theory (DFT) and multireference calculations were found in good agreement with the PND results and the experimental NMR chemical shifts. Moreover, the ab-initio calculations allowed us to connect the experimental spin-density map characterized by PND and the suggested distribution of the spin-density on the ligands observed by NMR spectroscopy. Interestingly, significant differences were observed between the pseudo-contact contributions of the chemical shifts obtained by theoretical calculations and the values derived from NMR spectroscopy using a simple point-dipole model. These discrepancies underline the limitation of the point-dipole model and the need for more elaborate approaches to break down the experimental pNMR chemical shifts into contact and pseudo-contact contributions. 相似文献
998.
Alberto Vezzani 《Journal of Pure and Applied Algebra》2019,223(2):818-843
We define a de Rham cohomology theory for analytic varieties over a valued field of equal characteristic p with coefficients in a chosen untilt of the perfection of by means of the motivic version of Scholze's tilting equivalence. We show that this definition generalizes the usual rigid cohomology in case the variety has good reduction. We also prove a conjecture of Ayoub yielding an equivalence between rigid analytic motives with good reduction and unipotent algebraic motives over the residue field, also in mixed characteristic. 相似文献
999.
Amit M. Jabgunde Rahul S. Patil Swarup De Eveline Lescrinier Steven De Jonghe Leonid Beigelman Piet Herdewijn 《Tetrahedron》2019,75(8):1107-1114
The synthesis of 3′-fluoro-4′-amino-hexitol nucleosides with a uracil and cytosine nucleobase was performed. The synthesis started from 1,5:2,3-dianhydro-4,6-benzylidene-allitol and afforded the target compounds in 15 steps. These protected hexitol nucleosides are valuable building blocks for the preparation of a new class of oligonucleotides. 相似文献
1000.
ABSTRACT In this paper, we present a systematic roadmap for developing a robust and parallel multi-material reactive hydrodynamic solver that integrates historically stable algorithms with new and current modern methods to solve explosive system design problems. The Ghost Fluid Method and Riemann solvers were used to enforce appropriate interface boundary conditions. Improved performance in terms of computational work and convergence properties was achieved by modifying a local node sorting strategy that decouples ghost nodes, allowing us to set material boundary conditions via an explicit procedure, removing the need to solve a coupled system of equations numerically. The locality and explicit nature of the node sorting concept allows for greater levels of parallelism and lower computational cost when populating ghost nodes. Non-linear numerical issues endemic to the use of real Equations of State in hydro-codes were resolved by using more thermodynamically consistent forms allowing us to accurately resolve large density gradients associated with high energy detonation problems at material interfaces. Pre-computed volume tables were implemented adding to the robustness of the solver base. 相似文献