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排序方式: 共有639条查询结果,搜索用时 15 毫秒
1.
Martín Soto Dr. Raquel G. Soengas Prof. Artur M. S. Silva Prof. Vicente Gotor-Fernández Prof. Humberto Rodríguez-Solla 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(57):13104-13108
In this work, the first example of a radical stereodivergent reaction directed towards the stereoselective synthesis of both (R*,R*)- and (R*,S*)-2,2′-biflavanones promoted by samarium diiodide is reported. Control experiments showed that the selectivity of this reaction was exclusively controlled by the temperature. It was possible to generate a variety of 2,2′-biflavanones bearing different substitution patterns at the aromatic ring in good-to-quantitative yields, being both stereoisomers of the desired compounds obtained with total or high control of selectivity. A mechanism that explains both the generation of the corresponding 2,2′-biflavanones and the selectivity is also discussed. The structure and stereochemistry determination of each isomer was unequivocally elucidated by single-crystal X-ray diffraction experiments. 相似文献
2.
A method to generate NOON states with three photons by injecting photons in an array of three waveguides is presented. Conditional measurements project the wave function in a given (desired) state. In passing, it is shown how the array of three waveguides, that effectively reproduces the interaction of three fields, may be reduced to the interaction of two fields. 相似文献
3.
Dongjie Zhang Miguel A. Soto Lev Lewis Wadood Y. Hamad Mark J. MacLachlan 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(12):4735-4740
Cellulose nanocrystals (CNCs) spontaneously assemble into gels when mixed with a polyionic organic or inorganic salt. Here, we have used this ion-induced gelation strategy to create functional CNC gels with a rigid tetracationic macrocycle, cyclobis(paraquat-p-phenylene) ( CBPQT 4+). Addition of [ CBPQT ]Cl4 to CNCs causes gelation and embeds an active host inside the material. The fabricated CNC gels can reversibly absorb guest molecules from solution then undergo molecular recognition processes that create colorful host–guest complexes. These materials have been implemented in gel chromatography (for guest exchange and separation), and as elements to encode 2- and 3-dimensional patterns. We anticipate that this concept might be extended to design a set of responsive and selective gel-like materials functioning as, for instance, water-pollutant scavengers, substrates for chiral separations, or molecular flasks. 相似文献
4.
Zoi G. Lada Amaia Soto Beobide Georgios N. Mathioudakis George A. Voyiatzis 《Molecules (Basel, Switzerland)》2021,26(1)
Polymeric composites constitute an appealing class of materials with applications in various fields. Spin crossover (SCO) coordination complexes are switchable materials with potential use in data storage and sensors. Their incorporation into polymers can be considered an effective method for their wider practical application. In this study, Fe(II) SCO/polylactic acid hybrid polymeric composites have been prepared by film casting. The mononuclear coordination complex [Fe{N(CN)2}2(abpt)2] was incorporated into polylactic acid. The morphological, structural and thermoanalytical characterization of the composite films were performed via scanning electron microscopy (SEM), attenuated total reflectance (ATR/FTIR), Raman spectroscopy and differential scanning calorimetry (DSC). In addition, the migration release study (MRS) of the SCO compound from the polymeric matrix into the food simulant 50% v/v water/ethanol solution was also examined via UV/Vis absorption. Of particular interest was the investigation of the SCO behavior of the coordination complex after its incorporation into the polymer matrix; it was accomplished by temperature-dependent micro-Raman spectroscopy. The described attempt could be considered a preparatory step toward the development of SCO-based temperature sensors integrated into food packaging materials. 相似文献
5.
Dr. Virendra V. Singh Fernando Soto Kevin Kaufmann Prof. Joseph Wang 《Angewandte Chemie (International ed. in English)》2015,54(23):6896-6899
A micromotor‐based strategy for energy generation, utilizing the conversion of liquid‐phase hydrogen to usable hydrogen gas (H2), is described. The new motion‐based H2‐generation concept relies on the movement of Pt‐black/Ti Janus microparticle motors in a solution of sodium borohydride (NaBH4) fuel. This is the first report of using NaBH4 for powering micromotors. The autonomous motion of these catalytic micromotors, as well as their bubble generation, leads to enhanced mixing and transport of NaBH4 towards the Pt‐black catalytic surface (compared to static microparticles or films), and hence to a substantially faster rate of H2 production. The practical utility of these micromotors is illustrated by powering a hydrogen–oxygen fuel cell car by an on‐board motion‐based hydrogen and oxygen generation. The new micromotor approach paves the way for the development of efficient on‐site energy generation for powering external devices or meeting growing demands on the energy grid. 相似文献
6.
为评估基于单矢量水听器的方位估计能力,在黄海海域对矢量水听器进行实验。矢量水听器吊放于接收船尾部,采用平均声强器和复声强器方位估计方法,并提出以概率密度值最大的方位角作为目标方位估计值的具体处理准则,对恒定方向、匀速行驶的目标船方位进行估计,并求出两种方法的方位估计误差。结果表明,水听器布放深度10 m时,对正横距离为0.42 km的航速10 kn的目标船,平均声强器方法的水平方位角估计误差18°,极角估计误差为5°,可以在离目标船最远1.17 km处估计其方位;复声强法的水平方位角估计误差为13°,极角估计误差为8°,可以在离目标船最远2.35 km处估计其方位。在有接收船的噪声干扰情况下,复声强器比平均声强器方法估计的方位更准确,可以对更远处的噪声源进行方位估计。 相似文献
7.
8.
In the present work we have obtained the numerical solution of the momentum equation for a Yield-Pseudoplastic power-law fluid flowing in the entrance region of a tube. The accuracy of the numerical results is checked by comparing the asymptotic values of friction coefficients and velocity profiles with the corresponding results from the analytical solutions for the fully-developed region. The results of the entrance flow solution for the power-law exponent equal to unity (Bingham fluid) are also in agreement with the numerical solution for a Bingham fluid. Detailed results are presented for wide ranges of yield numbers and power law exponents.
Nomenclature
Nomenclature a constant - D diameter - F dimensionless pressure gradient in (4.3) - f x friction factor in (5.1) - f app total friction factor in (5.2) - K entrance pressure drop coefficient - n power law exponent - p pressure - r radial co-ordinate - R radius of a tube - Re Reynolds number (5.3) - s rate of shear, u/r - u axial velocity - average velocity - v velocity in radius direction - x axial co-ordinate - y normal co-ordinate - Y yield number in (4.4) - z dimensionless axial distance =(x/D)/Re - z 1 1/z Greek Symbols plug flow radius in (4.6) - eff effective viscosity - density - shear stress - y yield stress - dimensionless stream function 相似文献9.
Sabine Kopec Emilio Martínez-Núñez Juan Soto Daniel Peláez 《International journal of quantum chemistry》2019,119(21):e26008
We present a generalization of the transition state search using chemical dynamics simulations (TSSCDS) methodology (discussed in a previous study) which allows the topographical characterization of intermolecular potential energy surfaces (IPES) for non-covalently bound complexes (vdW-TSSCDS). Starting from a single random input geometry, we show that vdW-TSSCDS is able to globally and automatically locate stationary points of an IPES, even in limiting cases such as extremely flat regions or nontrivial topologies (eg, bifurcation points). The basic idea is the expression of the connectivity matrix in block structure, where diagonal blocks correspond to the isolated fragments and off-diagonal blocks provide the intermolecular connectivity. To this end, we introduce a new definition of bound or not, in a non-covalent sense, utilizing an extra set of van der Waals distances, which encompasses all kinds of non-covalent distances. To discuss the use of the vdW-TSSCDS method, we present a series of 2-body van der Waals systems, namely, Ar-Benzene (3D), N2-Benzene (6D) and H2O-Benzene (9D). Finally, we further illustrate its capabilities by presenting some applications for n-body problems (n > 2), (H2O)2-Benzene (12D) and (H2O)3-Benzene (21D), as well as to a reactive, fully-flexible, system (Benzene-NO2)+ (39D) in which the simultaneous breaking/formation of both covalent and non-covalent interactions takes place. 相似文献
10.