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Results 501 - 550 of 2664
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Liu Yeou-Teh - - 2013
Recent studies have shown more than one time scale of change in the movement dynamics of practice. Here we decompose the drift and diffusion dynamics in adaptation to performing discrete aiming movements with different space-time constraints. Participants performed aiming movements on a graphics drawing board to a point target at ...
Qin Yi - - 2013
An approach for multiple-image encryption based on interference and position multiplexing is proposed. In the encryption process, multiple images are analytically hidden into three phase-only masks (POMs). The encryption algorithm for this method is quite simple and does not need iterative encoding. For decryption, both the digital method and optical ...
Zhong Nianbing - - 2013
The effects of surface roughness on the light transmission properties and sensitivity of fiber-optic evanescent wave sensors are investigated. A simple method of increasing the sensitivity based on the surface roughness (pit depth δ and diameter Δ) and incident angle U<sub>i</sub> of light rays on the fiber input end is ...
Dai Fengzhao - - 2013
In a recent paper [J. Opt. Soc. Am. A29, 2038 (2012)], we proposed a generalized high spatial resolution zonal wavefront reconstruction method for lateral shearing interferometry. The test wavefront can be reconstructed with high spatial resolution by using linear interpolation on a subgrid for initial values estimation. In the current ...
Hikosaka Y - - 2013
Electron reemission following photoelectron recapture due to post-collision interaction has been studied at 0.7 eV the inner-shell photoionization threshold of water molecules, using a multi-electron coincidence method. Electron reemissions after single Auger decay occur from O and OH fragments which are produced by the dissociations of high-n Rydberg H2O(+) states ...
Bande Annika - - 2013
In this paper we investigated the dynamics of an electron in the presence of a time-dependent laser field in a model potential for a two-level single-electron semiconductor quantum dot (QD) that is capable of undergoing interatomic Coulombic decay (ICD) together with an electron bound to a neighboring QD. We demonstrate ...
Li Qian - - 2013
High-pressure behaviors of hydrogen-bonded molecular crystal, sulfamic acid (NH3 (+)SO3 (-), SA), have been investigated using Raman spectroscopy and synchrotron X-ray diffraction (XRD) techniques up to the pressure of ∼20 GPa. Under ambient conditions, molecules of SA are arranged in puckered layers and held together by hydrogen bonding and electrostatic ...
Ibagon Ingrid - - 2013
Wetting of a charged substrate by an electrolyte solution is investigated by means of classical density functional theory applied to a lattice model. Within the present model the pure, i.e., salt-free solvent, for which all interactions are of the nearest-neighbor type only, exhibits a second-order wetting transition for all strengths ...
Volk Alexander - - 2013
We present a first investigation of structural properties of Ag clusters with a diameter of up to 5.5 nm grown inside superfluid helium nanodroplets (HeN) and deposited on an amorphous C surface. With high resolution transmission electron microscope images we are able to show that in addition to the crystalline ...
Agostini Valentina - - 2013
Static posturography provides an objective assessment of postural control by characterizing the body sway during upright standing. The Center-of-Pressure (CoP) signal is recorded by a force platform and it is analyzed by means of many different models and techniques. Most of the parameters calculated according to these different approaches are ...
Schmidt Matthias - - 2013
Classical density functional theory (DFT) provides an exact variational framework for determining the equilibrium properties of inhomogeneous fluids. We report a generalization of DFT to treat the non-equilibrium dynamics of classical many-body systems subject to Brownian dynamics. Our approach is based upon a dynamical functional consisting of reversible free energy ...
Fan Jing - - 2013
Magnesium borohydride (Mg(BH4)2) is one of the potential hydrogen storage materials. Recently, two experiments [Y. Filinchuk, B. Richter, T. R. Jensen, V. Dmitriev, D. Chernyshov, and H. Hagemann, Angew. Chem., Int. Ed. 50, 11162 (2011); L. George, V. Drozd, and S. K. Saxena, J. Phys. Chem. C 113, 486 (2009)] ...
Guo Qiumin - - 2013
Using the constrained lattice density functional theory, in this work we show that when the size of critical nucleus for vapor-liquid transition is comparable to the distance between seed particles (or active sites on solid surfaces), a cooperative effect in nucleation processes is found. More specifically, neighboring seed particles are ...
Heuer Andreas - - 2013
The self-organization of lipophilic chain molecules on surfaces in vacuum deposition experiments has been recently studied by Monte Carlo simulations of a coarse grained microscopic model system. Surprisingly, the final potential energy depends in a non-monotonous way on the chosen flux and the surface temperature. Here we introduce a schematic ...
Jiang Yangwei - - 2013
The self-assembly behaviors and phase transitions of binary nanoparticles (NPs) adsorbed on a soft elastic shell are investigated through molecular dynamics simulation. The conformations of adsorbed binary NPs depend on the bending energy Kb of elastic shell and the binding energy D0 between the NPs and the elastic shell. The ...
Stei Martin - - 2013
Electrostatic ion imaging with the velocity map imaging mode is a widely used method in atomic and molecular physics and physical chemistry. In contrast, the spatial map imaging (SMI) mode has received very little attention, despite the fact that it has been proposed earlier [A. T. J. B. Eppink and ...
Simine Lena - - 2013
We expand iterative numerically exact influence functional path-integral tools and present a method capable of following the nonequilibrium time evolution of subsystems coupled to multiple bosonic and fermionic reservoirs simultaneously. Using this method, we study the real-time dynamics of charge transfer and vibrational mode excitation in an electron conducting molecular ...
Markutsya Sergiy - - 2013
A fundamental understanding of the intermolecular forces that bind polysaccharide chains together in cellulose is crucial for designing efficient methods to overcome the recalcitrance of lignocellulosic biomass to hydrolysis. Because the characteristic time and length scales for the degradation of cellulose by enzymatic hydrolysis or chemical pretreatment span orders of ...
Makarov Nikolay S NS Department of Physics, Montana State University, Bozeman, Montana 59717, - - 2013
We compare the two-photon absorption (2PA) spectra of non-centrosymmetrical metal-free tribenzo-tetraazachlorin (H2TBTAC) and analogous symmetrical tetra-tert-butyl-phthalocyanine (H2TtBuPc). Surprisingly, despite formal lack of center of inversion, the 2PA spectrum of H2TBTAC displays a two-photon allowed transition at 935 nm, similar to gerade-gerade (g-g) transitions observed in H2TtBuPc and in other symmetrical ...
Hong Suc-Kyoung - - 2013
We report studies of excitons and polaritons in the quasi-molecular eigenbasis of a nano-aggregate, in the model of excitation transfer with, or without, photon-exciton coupling. We evaluate the effective interaction between quasi-molecular subsystems in quasi-molecular eigenbasis representation, with its eigenenergies and eigenstates. From the analysis of the effective interaction Hamiltonian ...
Mojumdar Supratik Sen - - 2013
Excited state proton transfer (ESPT) of pyranine (8-hydroxypyrene-1,3,6-trisulfonate, HPTS) in a live Chinese hamster ovary (CHO) cell is studied by time resolved confocal microscopy. The cytoplasm region of the cell is stained by a photoacid, HPTS (HA). The time constant of initial proton transfer (τPT) in the cell is found ...
Bellumori Maria - - 2013
Physical quickness is less in older adults with implications for fall prevention, movement initiation and activities of daily living. The purpose was to compare control of rapid contractions in young and older adults within two diverse muscle groups; powerful elbow extensors (EE) and dexterous index finger abductors (IFA). Most-rapid force ...
Behyan Shirin - - 2013
Thiophenic compounds are major constituents of fossil fuels and pose problems for fuel refinement. The quantification and speciation of these compounds is of great interest in different areas such as biology, fossil fuels studies, geology, and archaeology. Sulfur 1s Near-Edge X-ray Absorption Fine Structure (NEXAFS) spectroscopy has emerged as a ...
Ma Haibo - - 2013
In this response to Schwabe's recent comment [J. Chem. Phys. 138, 217101 (2013)], we discuss the validity of Schwabe's interpretation of why a large quantum mechanics (QM) region is needed to converge the quantum mechanics/molecular mechanics (QM/MM) results for aqueous benzene, which he ascribed to our insufficient electrostatic potential or ...
Orea Pedro - - 2013
Aiming to approach the thermodynamical properties of hard-core systems by standard molecular dynamics simulation, we propose setting a repulsive constant-force for overlapping particles. That is, the discontinuity of the pair potential is replaced by a linear function with a large negative slope. Hence, the core-core repulsion, usually modeled with a ...
Chattoraj Shyamtanu - - 2013
Diffusion of four coumarin dyes in a binary mixture of dimethyl sulfoxide (DMSO) and glycerol is studied using fluorescence correlation spectroscopy (FCS). The coumarin dyes are C151, C152, C480, and C481. In pure DMSO, all the four dyes exhibit a very narrow (almost uni-modal) distribution of diffusion coefficient (Dt). In ...
Gilchrist A J - - 2013
(2 + 1) resonance enhanced multiphoton ionization in combination with time-of-flight mass spectroscopy (TOF-MS) has been used to detect both the O((3)P) and O((1)D) fragments produced as a result of predissociation of the C (3)Πg (v = 0) and (v = 1) Rydberg states of O2, accessed via two-photon absorption ...
Haunschild Robin - - 2013
We present the extension of a recently proposed universal explicit electron correlation (F12) correction for multi-reference perturbation theories to general complete active spaces and arbitrary choices of complete active space self-consistent field (CASSCF) orbitals. This F12 correction is applied to Mukherjee's multi-reference second-order perturbation theory (Mk-MRPT2). Pilot examples show the ...
Shagieva F M - - 2013
Based on the experimentally measured dispersion of refractive indices, we studied the effects of halide anions on the dielectric response of potassium halide solutions in the visible, UV and far UV regions. It was shown that a specific ion effect according to the Hofmeister series is clearly demonstrated for the ...
Ooe Hiroki - - 2013
We studied diffusion of hydrogen fluoride (HF) in solid parahydrogen (pH2) around 4 K. Diffusion rates were determined from time dependence of FT-IR spectra of HF monomers. The absorption of HF monomers shows temporal decay due to dimerization reaction via diffusion. It was found that the rates are affected by ...
Chelli Riccardo - - 2013
We propose a path-breaking route to the enhancement of unidirectional nonequilibrium simulations for the calculation of free energy differences via Jarzynski's equality [C. Jarzynski, Phys. Rev. Lett. 78, 2690 (1997)]. One of the most important limitations of unidirectional nonequilibrium simulations is the amount of realizations necessary to reach suitable convergence ...
Hu Mingyang - - 2013
The force needed to buckle a thin elastic surface is proportional to its bending rigidity. This fact suggests using a buckling setup to measure the bending modulus of lipid membranes. Extending the work of Noguchi [Phys. Rev. E 83, 061919 (2011)], we systematically derive highly accurate analytical expressions for the ...
Chen Zhanghui - - 2013
A new crossover operator is proposed to evolve the structures of the atomic clusters. It uses a sphere rather than a plane to cut and splice the parent structures. The child cluster is constructed by the atoms of one parent which lie inside the sphere, and the atoms of the ...
Fernandez-Corbaton Ivan - - 2013
Two conditions on symmetries are identified as necessary for a linear scattering system to be able to rotate the linear polarization of light: Lack of at least one mirror plane of symmetry and electromagnetic duality symmetry. Duality symmetry is equivalent to the conservation of the helicity of light in the ...
Holzmeier Fabian - - 2013
In this paper, we reinvestigate the photoionization of nitrogen containing reactive intermediates of the composition H2CN and H2CNH, molecules of importance in astrochemistry and biofuel combustion. In particular, H2CN is also of considerable interest to theory, because of its complicated potential energy surface. The species were generated by flash pyrolysis, ...
Lankau Timm - - 2013
A constrained reduced-dimensionality algorithm can be used to efficiently locate transition states and products in reactions involving conformational changes. The search path (SP) is constructed stepwise from linear combinations of a small set of manually chosen internal coordinates, namely the predictors. The majority of the internal coordinates, the correctors, are ...
Limmer David T - - 2013
This paper extends our earlier studies of free energy functions of density and crystalline order parameters for models of supercooled water, which allows us to examine the possibility of two distinct metastable liquid phases [D. T. Limmer and D. Chandler, J. Chem. Phys. 135, 134503 (2011) and preprint arXiv:1107.0337 (2011)]. ...
Vlaming S M - - 2013
We study the transport of collective excitations (Frenkel excitons) in systems with static disorder in the transition energies, not limiting ourselves to Gaussian transition energy distributions. Instead, we generalize this model to the wider class of Lévy stable distributions, characterized by heavy tails. Phonon-assisted scattering of excitons, localized by the ...
Mao Bao-Hua - - 2013
In this paper, we investigate uniformly dispersed size-selected Pdn clusters (n = 4, 10, and 17) on alumina supports. We study the changes of clustered Pd atoms under oxidizing and reducing (O2 and CO, respectively) conditions in situ using ambient pressure XPS. The behavior of Pd in the clusters is ...
Monge-Palacios M - - 2013
To understand the reactivity and mechanism of the OH + NH3 → H2O + NH2 gas-phase reaction, which evolves through wells in the entrance and exit channels, a detailed dynamics study was carried out using quasi-classical trajectory calculations. The calculations were performed on an analytical potential energy surface (PES) recently ...
Jarrett Jeremy W - - 2013
The use of plasmon amplification of nonlinear optical wave-mixing signals to generate optical images in which the position of the scattering point source can be determined with nanometer accuracy is described. Solid gold nanosphere dimers were used as a model system for the nonlinear medium, which converted the Ti:sapphire fundamental ...
Borkar Aditi N - - 2013
We describe a method of determining the conformational fluctuations of RNA based on the incorporation of nuclear magnetic resonance (NMR) residual dipolar couplings (RDCs) as replica-averaged structural restraints in molecular dynamics simulations. In this approach, the alignment tensor required to calculate the RDCs corresponding to a given conformation is estimated ...
Debord J Daniel - - 2013
We present herein a framework for measuring the internal energy distributions of vibrationally excited molecular ions emitted from hypervelocity nanoprojectile impacts on organic surfaces. The experimental portion of this framework is based on the measurement of lifetime distributions of "thermometer" benzylpyridinium ions dissociated within a time of flight mass spectrometer. ...
Schwabe Tobias - - 2013
In this comment on a recent paper by Ma and Ma [J. Chem. Phys. 137, 214504 (2012)], one of their main findings-the importance of an empirical dispersion description for the study of electronic excited states in condensed phase-is discussed. It is shown that such dispersion corrections are entirely independent of ...
Krejcí M - - 2013
Background: Infection represents a less frequent cause for the development of an abdominal aortic aneurysm. The diagnosis is associated with a high risk of rapir progression and rupture. Case Reports: Case 1 is a female operated on urgently for a ruptured mycotic aneurysm of the abdominal aorta. After resection of ...
Toma Mana - - 2013
The use of thermoresponsive poly(N-isopropylacrylamide)-based hydrogel (pNIPAAm) for rapid tuning of surface plasmon resonance (SPR) is reported. This approach is implemented by using an SPR layer architecture with an embedded indium tin oxide microheater and pNIPAAm film on its top. It takes advantage of rapid thermally induced swelling and collapse ...
Kusagawa Hitoshi - - 2013
OBJECTIVES: Subfascial endoscopic perforator surgery (SEPS) is usually performed for posteromedial perforators in the supine position, but subfascial endoscopic perforator surgery for posterolateral perforators in the prone position has not been reported. METHODS: A 51-year-old male suffered from a venous stasis ulcer around his lateral malleolus because of reflux in ...
Salinas Maria - - 2013
BACKGROUND: It is necessary to achieve a reduction in the number of requests for laboratory tests by improving the appropriateness of testing behaviour. The aim of the study was, first, to compare laboratory requiring patterns for emergency department (ED) patients in clinical laboratories of different institutions in Spain; second, to ...
Overgaard Martin - - 2013
Familial lipoprotein lipase (LPL) deficiency (FLLD) is a rare autosomal recessive genetic disorder caused by homozygous or compound heterozygous mutations in the LPL gene. FLLD individuals usually express an impaired or non-functional LPL enzyme with low or absent triglyceride (TG) hydrolysis activity causing severe hypertriglyceridaemia. Here we report a case ...
Gorlin Yelena Y Department of Chemical Engineering, Stanford University, Stanford, California 94305, - - 2013
In situ X-ray absorption spectroscopy (XAS) is a powerful technique that can be applied to electrochemical systems, with the ability to elucidate the chemical nature of electrocatalysts under reaction conditions. In this study, we perform in situ XAS measurements on a bifunctional manganese oxide (MnOx) catalyst with high electrochemical activity ...
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