bluuebunny/crossref_metadata_2025_split huggingface dataset:
Attacking a Small Beast: Ar–CO, a Prototype for Intermolecular Forces
Authors: Havenith Martina , Schwaab Gerhard W. 
Published: September 2005

Abstract
The study of intermolecular forces has been of increasing interest in the past. New theoretical and experimental techniques have been developed which allow an improved understanding of these important interactions. We will give an introduction to the theoretical concepts of the description of intermolecular forces. We will tackle Ar–CO as prototype system of intermolecular forces which has been subject of intensive experimental and theoretical work in the past and has evolved to one of the most investigated intermolecular complexes. We will give here an overview over the numerous theoretical and experimental studies which have been published in the literature. A comparison between the most recent ab initio studies and the experimental work demonstrates a lack of sufficient agreement. We have carried out a semi-empirical fit of the potential energy surface to five of the seven known intermolecular modes. All modes could be reproduced within 0.4 cm using our new potential energy surface. The most significant deviation which was found in comparison to previous ab initio potentials was the appearance of a second local minimum in the potential energy surface. These results indicate a lack of a sufficient accurate theoretical description of intermolecular forces for this “little beast” which remains still a challenge for the future.
The Thermal Decomposition Kinetics of [Co(bipy)(H2O)4](C4H4O4)·4H2O
Authors: Yakuphanoglu F. , Ying Shao-Ming 
Published: September 2005

AbstractThe thermal decomposition kinetics of [Co(bipy)(H2O)4](C4H4O4) · 4H2O was carried out by thermogravimetry (TG) and derivate thermogravimetry (DTG) analysis at four heating rates of 5, 8, 11 and 14 °C/min in nitrogen atmosphere. TG confirmed that thermal decomposition of the compound takes place in a single step. The kinetic parameters (activation energy, frequency factor, and activation entropy) were calculated using various forms of non-isothermal methods. The activation energy obtained by the Ozawa method is in agreement with the value determined by the Coats–Redfern technique. However, a much lower activation energy was obtained by the Kissinger method.
Empirical Models of the Pair-Polarizability Trace and Anisotropy from Polarized and Depolarized Interaction-Induced Light Scattering Spectra for Gaseous Krypton
Authors: El-Kader M. S. A. 
Published: September 2005

Abstract
A method based on classical physics, utilizing the first few even moments of the polarized and depolarized interaction-induced light scattering spectra at room temperature to derive an empirical model for the pair-polarizability trace and anisotropy of interacting atoms, with adjustable free parameters, is described and applied to the spectra of krypton. Good agreement with ab initio and analytical results in the literature is obtained and profiles calculated with our empirical models are in excellent agreement with experiments. Theoretical calculations using these models are compared with the experimental values of the second dielectric constant and second virial Kerr coefficient for this gas. The results show excellent agreement with the experiments.
Ultraviolet Radiation Exposure, Vitamin D, and Cancer
Authors: Berwick Marianne , Kesler Denece 
Published: September 2005

ABSTRACTThis paper reviews briefly the evidence for an association between various measures of UV radiation (UVR) exposure and the development of cancer. Issues such as data quality, study design, measurement variation, comparability of studies, and quantification of UV exposure in relation to skin cancer are discussed. A range of exposure, based on skin type, might be appropriate: from 5 min a day three times a week for light‐skinned individuals and 10 min a day three times a week for darker‐skinned individuals. These exposures translate into 13 h per year, for a light‐skinned individual, leading to 650 h of exposure from birth to age 50.
(Sub)‐Picosecond Spectral Evolution of Fluorescence in Photoactive Proteins Studied with a Synchroscan Streak Camera System
Authors: van Stokkum I. H. M. , Gobets B. , Gensch T. , van Mourik F. , Hellingwerf K. J. , van Grondelle R. , Kennis J. T. M. 
Published: September 2005

ABSTRACTThe spectral evolution of three photoactive proteins has been investigated by measuring the fluorescence with good temporal and wavelength resolution and a high signal‐to‐noise ratio. Upon excitation at 400 nm wild‐type (wt) PYP both at neutral pH and in the low‐pH blueshifted pBdark state exhibited a strong quenching of the fluorescence, the major part of which could be described by lifetimes of about 1.7 and 7.7 ps. The remaining fluorescence decay occurred multiexponentially with lifetimes between 30 and 125 ps. Additionally, in wtPYP at neutral pH, a dynamic Stokes shift was found to occur with a time constant of about 0.25 ps. In a PYP preparation that was reconstituted with the chromophore 7‐hydroxy‐coumarin‐3‐carboxylic acid rather than the native coumaric acid, and which is therefore not capable of performing the cis‐trans‐isomerization that initiates the photocycle in wtPYP, the fluorescence was found to decay multiexponentially with lifetimes of 51 ps, 0.33 and 3.77 ns. Additionally, dynamic Stokes shifts were observed with time constants of about 0.1 and 3.5 ps. Upon comparison of the dynamics of this preparation with that of wtPYP the multiexponential decay with lifetimes of 1.7 and 7.7 ps found in wtPYP was attributed to photochemistry of the p‐coumaric‐acid chromophore. The emission from bacte‐riorhodopsin mutant D85S upon excitation at 635 nm decays biexponentially with estimated lifetimes of 5.2 and 19.1 ps. No dynamic Stokes shift was observed here. Four lifetimes were needed to describe the decay of the emission from the A* state in the green fluorescent protein. From a target analysis it was concluded that the longer lifetimes are accompanied by a decreasing probability of forming I*, which approaches zero with the longest A* lifetime of 1.5 ns. These observations may be explained by heterogeneity of A and by relaxation of A*. In all three systems studied, multiexponential decay of emission was present, suggesting that heterogeneity is a common feature of these chromophore protein complexes.
Preparation of a microporous gel polymer electrolyte with a novel preferential polymer dissolution process for Li‐ion batteries
Authors: Subramania A. , Sundaram N. T. Kalyana , Priya A. Rohini , Gangadharan R. , Vasudevan T. 
Published: September 2005

AbstractA special type of polyacrylonitrile (PAN)‐based microporous polymer electrolyte was prepared by the dissolution of poly(vinyl chloride) (PVC) with a novel preferential polymer dissolution process from cast polymer films containing various amounts of PAN and PVC. PVC, dissolved from a 50 : 50 (w/w) PAN/PVC blended polymer film, had a high ionic conductivity of 5.01 × 10−3 S/cm at the ambient temperature when soaked in a 1M solution of LiClO4 in ethylene carbonate and diethyl carbonate. The amorphosity, surface morphology, and thermal stability of the microporous gel polymer electrolyte were characterized by X‐ray diffraction, scanning electron microscopy, and differential scanning calorimetry studies. Chronoamperometry and linear‐sweep voltammetry studies were performed to determine the lithium transference number and stability of the microporous polymer electrolyte membrane, respectively. Finally, a Li‐ion polymer cell was assembled with the prepared microporous gel polymer electrolyte, and its compatibility with electrode materials was studied by cyclic voltammetry. © 2005 Wiley Periodicals, Inc. J Appl Polym Sci 98: 1891–1896, 2005
Synthesis of copolymeric acrylamide/potassium acrylate hydrogels blended with poly(vinyl alcohol): Effect of crosslinking and the amount of poly(vinyl alcohol) on swelling behavior
Authors: Ali Syed Wasim , Zaidi Syed Arif Raza 
Published: September 2005

AbstractA novel series of copolymeric acrylamide/potassium acrylate superabsorbents, blended with poly(vinyl alcohol), have been synthesized by using N, N′‐methylenebisacrylamide as a crosslinker and potassium persulphate (K2S2O8) as an initiator. Swelling behavior of these hydrogels in water was investigated; and on the basis of swelling properties, the diffusional behavior of water into these hydrogel systems was analyzed. It was observed that with the increase of amount of poly(vinyl alcohol) or crosslinking, the swelling of the hydrogels decreased. The hydrogel synthesized by addition of 5% poly(vinyl alcohol) and 0.25% crosslinking showed maximum swelling of 54445%. © 2005 Wiley Periodicals, Inc. J Appl Polym Sci 98: 1927–1931, 2005
Selection of a liquid for swelling the gel coating of electrodes for electrohydrodynamic pumping
Authors: Watanabe Masashi , Hara Ayako 
Published: September 2005

AbstractWe investigated an electrohydrodynamic pump that used a gel‐coated electrode. An organic liquid that swelled the gel was also used as the working fluid. In this study, we examined 12 liquids. The following properties were found to be preferable for the pumping: (1) the liquid can significantly swell the gel, and (2) it can flow at a high velocity when the electrode is not coated. © 2005 Wiley Periodicals, Inc. J Appl Polym Sci 98: 1996–2002, 2005
Electrostatic interactions with histone tails may bend linker DNA in chromatin
Authors: Perico Angelo , La Penna Giovanni , Arcesi Luca 
Published: September 2005

AbstractIs linker DNA bent in the 30‐nm chromatin fiber at physiological conditions? We show here that electrostatic interactions between linker DNA and histone tails including salt condensation and release may bend linker DNA, thus affecting the higher order organization of chromatin. © 2005 Wiley Periodicals, Inc. Biopolymers 81: 20–28, 2006This article was originally published online as an accepted preprint. The “Published Online” date corresponds to the preprint version. You can request a copy of the preprint by emailing the Biopolymers editorial office at biopolymers@wiley.com
Conductivity and pH dual detection of growth profile of healthy and stressedListeria monocytogenes
Authors: Yang Liju , Banada Padmapriya P. , Liu Yi‐Shao , Bhunia Arun K. , Bashir Rashid 
Published: September 2005

AbstractIn this study, growth ofListeria monocytogenesin a low conductivity growth medium (LCGM) was simultaneously monitored by conductivity and pH measurements. Detection times obtained from the conductivity and pH growth curves were inversely related to the initial concentration ofL. monocytogenesin the medium. Linear responses were found by plotting detection times obtained from both conductivity and pH growth curves as a function of initial cell concentration in the range of 102to 107cfu/mL. The detection time was approximately 12 and 2 h for 102and 107cfu/mL of viableL. monocytogenes, respectively, using the conductivity growth curves, whereas it was approximately 1 h less using the pH growth curves. This dual detection system was used for evaluating the growth of acid‐, temperature‐, and salt‐treatedL. monocytogenesin the medium.Acid stress at pH 2 and 3 for 3 h caused approximately 12 and 4 h delay in the detection time on pH growth curves, while stress at pH 5 for 3 h did not cause a significant delay in detection time. Delay in detection times was also observed forL. monocytogenescells exposed to 45°C for more than 1 h (2 and 6 h). Exposure to 10% NaCl for 3 h did not cause visible delay in the detection time. These observations on detection times for stressedL. monocytogeneshad a consistent trend with the cell number decrease determined by surface plating method. © 2005 Wiley Periodicals, Inc.
Animating reactive motion using momentum‐based inverse kinematics
Authors: Komura Taku , Ho Edmond S. L. , Lau Rynson W. H. 
Published: September 2005

AbstractInteractive generation of reactive motions for virtual humans as they are hit, pushed and pulled are very important to many applications, such as computer games. In this paper, we propose a new method to simulate reactive motions during arbitrary bipedal activities, such as standing, walking or running. It is based on momentum based inverse kinematics and motion blending. When generating the animation, the user first imports the primary motion to which the perturbation is to be applied to. According to the condition of the impact, the system selects a reactive motion from the database of pre‐captured stepping and reactive motions. It then blends the selected motion into the primary motion using momentum‐based inverse kinematics. Since the reactive motions can be edited in real‐time, the criteria for motion search can be much relaxed than previous methods, and therefore, the computational cost for motion search can be reduced. Using our method, it is possible to generate reactive motions by applying external perturbations to the characters at arbitrary moment while they are performing some actions. Copyright © 2005 John Wiley & Sons, Ltd.
Silhouette‐based motion capture for interactive VR‐systems including a rear projection screen
Authors: Thüring Sven , Herwig Jörn , Schmitt Alfred 
Published: September 2005

AbstractMarkerless optical motion tracking is still a challenging task; especially applied for interactive environment there real‐time is required. Tracking methods based on silhouette extraction seem to have the ability for robust real‐time detection. But most background subtraction methods are unable to adapt their background model to the fast changing unpredictable images shown on a projection screen. This restriction makes them unusable for applications involving spatially immersive displays (SID) where users are interacting in front of projection screens. This paper describes an approach to solve this challenging problem. Based on a client‐server architecture it makes use of frame buffer and screen timing information delivered by the presentation computer and standard digital cameras attached to the tracking computer. The system requires no special hardware; therefore it is comparatively cheap and furthermore fast and reliable. Sufficiently accurate algorithms for segmentation and skeleton fitting are used, allowing usage in a real‐time system. Copyright © 2005 John Wiley & Sons, Ltd.
Automatic generation of human animation based on motion programming
Authors: Zhuang Yueting , Xiao Jun , Wu Yizi , Yang Tao , Wu Fei 
Published: September 2005

AbstractIn motion simulations, video games and animation films, lots of interactions between characters and virtual environments are needed. Even though realistic motion data can be derived from MoCap system, motion editing and synthesis, animators must adapt these motion data to specific virtual environment manually, which is a boring and time‐consuming job. Here we propose a framework to program the movements of characters and generate navigation animations in virtual environment. Given a virtual environment, a visual user interface is provided for animators to interactively generate motion scripts, describing the characters' movements in this scene and finally used to retrieve motion clips from MoCap database and generate navigation animations automatically. This framework also provides flexible mechanism for animators to get varied resulting animations by configurable table of motion bias coefficients and interactive visual user interface. Copyright © 2005 John Wiley & Sons, Ltd.
Interactive venation‐based leaf shape modeling
Authors: Hong Sung Min , Simpson Bruce , V. G. Baranoski Gladimir 
Published: September 2005

AbstractWe describe a representation for tree leaves and an interactive modeling system for creating realistic close‐up images of leaf clusters. The planar outline of the leaf and the larger members of its venation system are strong factors in the recognition of plant species and as such are essential to realistic imaging. The larger veins also play a major biological role in determining the leaf surface shape and it is this role that we mimic in the shape modeling discussed in this paper. The proposed representation uses a model of a leaf consisting of a three‐dimensional skeleton formed by its larger veins and a surface membrane representing the leaf lamina that spans the void between the veins. The veins play two roles. They can be interactively modified to create the 3‐D shape of the leaf model. They also provide for realistic light and shadow effects when rendered as generalized cylinders using measured width parameters. The representation consists of two coupled data structures, a tree data structure of veins for the leaf skeleton and an unstructured triangular mesh for the leaf membrane. The skeleton is modified by the user of the modeling system, and the membrane mesh is a surface mesh that follows the skeleton shape computed using harmonic interpolation. Copyright © 2005 John Wiley & Sons, Ltd.
From dance notation to human animation: The LabanDancer project
Authors: Wilke Lars , Calvert Tom , Ryman Rhonda , Fox Ilene 
Published: September 2005

AbstractSymbolic systems such as Labanotation for notating dance and choreography provide a critical tool for the preservation of cultural heritage in what once was considered an ‘illiterate’ art form. While the goals of such notation systems are laudable, the unfortunate reality is that most dancers and choreographers cannot read or write the notation; that is, they are loath to take the considerable effort to learn a rich, but complex methodology. To make Labanotation scores more accessible the LabanDancer system has been developed to translate Labanotation scores recorded in the LabanWriter editor into 3‐d human figure animations. A major challenge in the development of this translator has been to find approaches that are general enough to create reasonable animations for a wide variety of different movements. Any translator must also take account of the context of a movement since this can affect the interpretation of the Labanotation scores. Copyright © 2005 John Wiley & Sons, Ltd.
Virtual humans with personalized perception and dynamic levels of knowledge
Authors: Strassner Johannes , Langer Marion 
Published: September 2005

AbstractNot everything is perceived as it is provided by the environment. Depending on focus and attention perception can vary and therefore also the knowledge about the world. Virtual humans are sensing the virtual world, storing knowledge and using it to perform tasks. This paper describes our approach to model perceiving, storing and forgetting knowledge as the main regulation of tasks. We use different forms and levels of knowledge which can be independently adapted to different personalities and situations by combining computer graphics methods with psychological models. Copyright © 2005 John Wiley & Sons, Ltd.
Automated motion synthesis for dancing characters
Authors: Alankus Gazihan , Bayazit A. Alphan , Bayazit O. Burchan 
Published: September 2005

AbstractIn this paper, we present a technique to automatically synthesize dancing motions for arbitrary songs with dance beats. Our technique is based on analysing a musical tune (can be a song or melody) and synthesizing a motion for the virtual character where the character's movement synchronizes to the musical beats. In order to analyse beats of the tune, we developed a fast algorithm. Our motion synthesis algorithm analyses library of stock motions and generates new sequences of movements that were not described in the library. We show that our motion synthesis algorithm is better than previous dance generation techniques. We also present two algorithms to synchronize dance moves and musical beats: a fast greedy algorithm, and a genetic algorithm. Our experimental results show that we can generate new sequences of dance figures in which the dancer reacts to music and dances in synchronization with the music. Copyright © 2005 John Wiley & Sons, Ltd.
Electrochemical Survey: The Effect of the Cage Size and Structure on the Electronic Structures of a Series of Ytterbium Metallofullerenes
Authors: Xu Jianxun , Li Meixian , Shi Zujin , Gu Zhennan 
Published: September 2005

AbstractThe electrochemical properties of a series of metallofullerenes with different cages, namely, Yb@C74(II), Yb@C76(I, II), Yb@C78, Yb@C80, Yb@C82(I, II, III), and Yb@C84(II, III, IV), have been systematically investigated by cyclic and differential pulse voltammetry experiments for the first time. This article discusses the electronic structures of these metallofullerenes based on the results from these experiments. From previous electrochemical work and the above discussion, it is concluded that the nondegenerate LUMO is a common characteristic of the electronic structures of the higher fullerenes and monometallofullerenes. In addition, the effect of the cage on the electronic structure and properties of the metallofullerene is estimated from the plot of the reduction potential versus the carbon number of the metallofullerene. This estimation shows that usually the electronic structure and properties of the metallofullerene vary with cage size and structure. The cage structure is of particular importance for determining the electronic structure and properties. Moreover, an explanation concerning the abundance and stability of C82‐based trivalent monometallofullerenes is given from an electronic structural standpoint.
Synthesis and Some First‐Row Transition‐Metal Complexes of the 1,2,4‐Triazole‐Based Bis(terdentate) Ligands TsPMAT and PMAT
Authors: Klingele Marco H. , Moubaraki Boujemaa , Murray Keith S. , Brooker Sally 
Published: September 2005

AbstractThe employment of a strategy based on nucleophilic substitution, rather than Schiff base condensation, for the preparation of 1,2,4‐triazole‐based ligands has been investigated and has led to the synthesis of two new ligands, 4‐amino‐3,5‐bis{[N‐(2‐pyridylmethyl)‐N‐(4‐toluenesulfonyl)amino]methyl}‐4H‐1,2,4‐triazole (TsPMAT, 14) and 4‐amino‐3,5‐bis{[(2‐pyridylmethyl)amino]methyl}‐4H‐1,2,4‐triazole (PMAT, 15). These are the first examples of bis(terdentate) ligands incorporating the 1,2,4‐triazole unit. TsPMAT (14) forms a dinuclear 2:2 complex with Co(BF4)2⋅6 H2O even when reacted in a metal‐to‐ligand molar ratio of 2:1. Similarly, the reaction of PMAT (15) with Mn(ClO4)2⋅6 H2O or M(BF4)2⋅6 H2O (M=Fe, Co, Ni, Zn) in a ligand‐to‐metal molar ratio of 1:1 has afforded a series of complexes with the general formula [MII2(PMAT)2]X4. The metal centres in these complexes of TsPMAT (14) and PMAT (15) are encapsulated by two ligand molecules and doubly bridged by the N2 units of the 1,2,4‐triazole moieties, which gives rise to N6 coordination spheres that are strongly distorted from octahedral, as evidenced by the X‐ray crystal structure analyses of [CoII2(TsPMAT)2](BF4)4⋅6 MeCN (24⋅6 MeCN) and [FeII2(PMAT)2](BF4)4⋅DMF (27⋅DMF). Studies of the magnetic properties of [CoII2(TsPMAT)2](BF4)4⋅4 H2O (24⋅4 H2O), [MnII2(PMAT)2](ClO4)4 (26), and [CoII2(PMAT)2](BF4)4 (28) have revealed weak antiferromagnetic coupling (J=−3.3, −0.16, and −2.4 cm−1, respectively) between the two metal centres in these complexes.
A Facile and Controllable Synthesis of γ‐Al2O3 Nanostructures without a Surfactant
Authors: Tang Bo , Ge Jiechao , Zhuo Linhai , Wang Guangli , Niu Jinye , Shi Zhiqiang , Dong Yubin 
Published: September 2005

AbstractBoehmite [AlOOH] nanoneedles, nanorods, and nanotubes were successfully synthesized by a facile sol‐hydrothermal method without using any surfactant. Calcination of the corresponding boehmite nanostructures at 700 °C gave the corresponding γ‐Al2O3 nanoneedles, nanorods, and nanotubes. The resulting products were characterized by XRD, TEM, HRTEM, and FT‐IR spectroscopy. We found that the conditions used to produce the sol and the pH value of the hydrothermal process have important effects on the nucleation and growth of nanostructured materials. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)