bluuebunny/crossref_metadata_2025_split huggingface dataset:
Fluktuierender Kupferacetylid‐Cluster in der CuAAC‐Katalyse
Authors: Makarem Ata , Berg Regina , Rominger Frank , Straub Bernd F. 
Published: April 2015

AbstractEin molekular definierter Kupferacetylidcluster mit N‐heterocyclischen Carben‐Steuerliganden (NHC) wurde zum ersten Mal unter sauren Reaktionsbedingungen hergestellt. Dieser Cluster ist der erste molekulare Kupferacetylid‐Komplex, der eine hohe Aktivität in der Kupfer‐katalysierten Azid‐Alkin‐Cycloaddition aufweist, bei Essigsäurezusatz sogar bei −5 °C. Ethylpropiolat protoniert alle Acetatliganden des zweikernigen Vorläuferkomplexes zu Essigsäure und ersetzt jeden vierten Steuerliganden. Als Konsequenz werden zwei Kupfer(I)‐Ionen freigesetzt, die den Kern des Clusters des in dieser Studie beschriebenen gelben C2‐symmetrischen Hexa‐NHC‐Octakupfer‐Hexaacetylid‐Dikations bilden. Koaleszenzphänomene in Tieftemperatur‐NMR‐Experimenten offenbaren das Fluktuieren des Clusters, was jeweils zu einem schnellen Austausch der jeweiligen NHC‐ und Acetylidpositionen führt. Kinetische Untersuchungen gewähren Einsichten in die Rolle verschiedener Kupferacetylid‐Koordinationsmodi und der Essigsäurezugabe auf die katalytische Aktivität. Die wechselseitige Abhängigkeit der “Klick”‐Aktivität und der Kupferacetylid‐Aggregation über zweikernige Intermediate hinaus fügt dem mechanistischen Verständnis der CuAAC‐Reaktion eine neue Komplexitätsebene hinzu.
Synthesis and characterization of organosoluble and transparent polyimides derived from trans‐1,2‐bis(3,4‐dicarboxyphenoxy)cyclohexane dianhydride
Authors: Zhao Huiwen , Chen Guofei , Zhou Yu , Li Xing , Fang Xingzhong 
Published: April 2015

ABSTRACTA novel dianhydride, trans‐1,2‐bis(3,4‐dicarboxyphenoxy)cyclohexane dianhydride (1,2‐CHDPA), was prepared through aromatic nucleophilic substitution reaction of 4‐nitrophthalonitrile with trans‐cyclohexane‐1,2‐diol followed by hydrolysis and dehydration. A series of polyimides (PIs) were synthesized from one‐step polycondensation of 1,2‐CHDPA with several aromatic diamines, such as 2,2′‐bis(trifluoromethyl)biphenyl‐4,4′‐diamine (TFDB), bis(4‐amino‐2‐trifluoromethylphenyl)ether (TFODA), 4,4′‐diaminodiphenyl ether (ODA), 1,4‐bis(4‐aminophenoxy)benzene (TPEQ), 4,4′‐(1,3‐phenylenedioxy)dianiline (TPER), 2,2′‐bis[4‐(3‐aminodiphenoxy)phenyl]sulfone (m‐BAPS), and 2,2′‐bis[4‐(4‐amino‐2‐trifluoromethylphenoxy)phenyl]sulfone (6F‐BAPS). The glass transition temperatures (Tgs) of the polymers were higher than 198°C, and the 5% weight loss temperatures (Td5%s) were in the range of 424–445°C in nitrogen and 415–430°C in air, respectively. All the PIs were endowed with high solubility in common organic solvents and could be cast into tough and flexible films, which exhibited good mechanical properties with tensile strengths of 76–105 MPa, elongations at break of 4.7–7.6%, and tensile moduli of 1.9–2.6 GPa. In particular, the PI films showed excellent optical transparency in the visible region with the cut‐off wavelengths of 369–375 nm owing to the introduction of trans‐1,2‐cyclohexane moiety into the main chain. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 42317.
The Origin of the Variations of the Hyoid Apparatus in Human
Authors: Rodríguez‐Vázquez José Francisco , Verdugo‐López Samuel , Abe Hiroshi , Murakami Gen 
Published: April 2015

ABSTRACTCurrently, theories based on acquired calcification of the stylohyoid ligament are believed to be a pathogenesis of syndromes associated with the hyoid apparatus (HA) and its variations. We studied the development of the HA from Reichert´s cartilage using serial sections of 25 human embryos and 45 fetuses. We ensured a fact that, at the initial stage, the HA appeared as two independent cartilage segments, that is, the cranial or styloid segment and the caudal or hyoid segment of Reichert's cartilage, those are connected by a mesenchymal structure. However, between 8 and 10 weeks of development, the mesenchymal connection was lost. We hypothesize that this disconnection is likely to be one of the major factors to make a descent of the hyoid bone in evolution. The stylohyoid ligament was not observed. The variations of the HA, should be considered variations of the development of Reicherts cartilage. If these variations are maintained in the adult, are likely to explain a major symptom associated with Eagle's syndrome. Anat Rec, 298:1395–1407, 2015. © 2015 Wiley Periodicals, Inc.
Photoluminescence and thermoluminescence studies of CaAl2O4:Dy3+ phosphor
Authors: Ziyauddin Mohammad , Tigga Shalinta , Brahme Nameeta , Bisen D. P. 
Published: April 2015

AbstractCalcium aluminate phosphors activated by Dy3+ have been prepared by a combustion method at a temperature of 600°C. Photoluminescence (PL) and thermoluminescence (TL) properties of gamma‐irradiated Dy‐doped calcium aluminate were investigated. The PL spectrum shows a broad peak around 488 nm and 573 nm, under 347 nm excitation. Thermoluminescence studies were performed for different concentrations of Dy. Optimum intensity of photoluminescence was found for 0.02 mol% concentration of Dy. It was found that initially the peak TL intensity increases with increasing concentration of Dy in the CaAl2O4 host, attains a maximum value for 0.05 mol% concentration and decreases with further increase in the doping concentration due to concentration quenching. Copyright © 2015 John Wiley & Sons, Ltd.
Separating chemical and excluded volume interactions of polyethylene glycols with native proteins: Comparison with PEG effects on DNA helix formation
Authors: Shkel Irina A. , Knowles D. B. , Record M. Thomas 
Published: April 2015

ABSTRACTSmall and large PEGs greatly increase chemical potentials of globular proteins (μ2), thereby favoring precipitation, crystallization, and protein–protein interactions that reduce water‐accessible protein surface and/or protein‐PEG excluded volume. To determine individual contributions of PEG‐protein chemical and excluded volume interactions to μ2 as functions of PEG molality m3, we analyze published chemical potential increments μ23 = dμ2/dm3 quantifying unfavorable interactions of PEG (PEG200‐PEG6000) with BSA and lysozyme. For both proteins, μ23 increases approximately linearly with the number of PEG residues (N3). A 1 molal increase in concentration of PEG ‐CH2OCH2‐ groups, for any chain‐length PEG, increases μBSA by ∼2.7 kcal/mol and μlysozyme by ∼1.0 kcal/mol. These values are similar to predicted chemical interactions of PEG ‐CH2OCH2‐ groups with these protein components (BSA ∼3.3 kcal/mol, lysozyme ∼0.7 kcal/mol), dominated by unfavorable interactions with amide and carboxylate oxygens and counterions. While these chemical effects should be dominant for small PEGs, larger PEGS are expected to exhibit unfavorable excluded volume interactions and reduced chemical interactions because of shielding of PEG residues in PEG flexible coils. We deduce that these excluded volume and chemical shielding contributions largely compensate, explaining why the dependence of μ23 on N3 is similar for both small and large PEGs. © 2015 Wiley Periodicals, Inc. Biopolymers 103: 517–527, 2015.
Proline‐poor hydrophobic domains modulate the assembly and material properties of polymeric elastin
Authors: Muiznieks Lisa D. , Reichheld Sean E. , Sitarz Eva E. , Miao Ming , Keeley Fred W. 
Published: April 2015

ABSTRACTElastin is a self‐assembling extracellular matrix protein that provides elasticity to tissues. For entropic elastomers such as elastin, conformational disorder of the monomer building block, even in the polymeric form, is essential for elastomeric recoil. The highly hydrophobic monomer employs a range of strategies for maintaining disorder and flexibility within hydrophobic domains, particularly involving a minimum compositional threshold of proline and glycine residues. However, the native sequence of hydrophobic elastin domain 30 is uncharacteristically proline‐poor and, as an isolated polypeptide, is susceptible to formation of amyloid‐like structures comprised of stacked β‐sheet. Here we investigated the biophysical and mechanical properties of multiple sets of elastin‐like polypeptides designed with different numbers of proline‐poor domain 30 from human or rat tropoelastins. We compared the contributions of these proline‐poor hydrophobic sequences to self‐assembly through characterization of phase separation, and to the tensile properties of cross‐linked, polymeric materials. We demonstrate that length of hydrophobic domains and propensity to form β‐structure, both affecting polypeptide chain flexibility and cross‐link density, play key roles in modulating elastin mechanical properties. This study advances the understanding of elastin sequence‐structure‐function relationships, and provides new insights that will directly support rational approaches to the design of biomaterials with defined suites of mechanical properties. © 2015 Wiley Periodicals, Inc. Biopolymers 103: 563–573, 2015.
Application of ATR‐FTIR spectroscopy to the study of thermally induced changes in secondary structure of protein molecules in solid state
Authors: Cruz‐Angeles Jorge , Martínez Luz María , Videa Marcelo 
Published: April 2015

ABSTRACT:FTIR spectroscopy in combination with ATR sampling technique is the most accessible analytical technique to study secondary structure of proteins both in solid and aqueous solution. Although several studies have demonstrated the applications of ATR‐FTIR to study conformational changes of solid dried proteins due to dehydration, there are no reports that demonstrate the application of ATR‐FTIR in the study of thermally induced changes of secondary structure of biomolecules directly on the solid state. In this study, four biomolecules of pharmaceutical interest, lysozyme, myoglobine, chymotripsin and human growth hormone (hGH), were studied on the solid state before and after different thermal treatments in order to relate changes of secondary structure to partial or total thermal denaturation processes. The results obtained provide experimental evidence that protein thermal denaturation in the solid state can be detected by displacement of carbonyl bands which correspond to conformational transformations between α–helix to β‐sheet or intermolecular β‐sheet; the molecules studied undergo this transformation when exposed to a temperature close to their denaturation temperature which may become irreversible depending on the extent of the heating treatment. These findings demonstrate that ATR‐FTIR is an effective and time efficient technique that allows the monitoring of the protein thermal denaturation process of solid samples without further reconstitution or prior sample preparation. © 2015 Wiley Periodicals, Inc. Biopolymers 103: 574–584, 2015.
Functional assessment of the liver with gadolinium–ethoxybenzyl-diethylenetriamine penta-acetate-enhanced MRI in living-donor liver transplantation
Authors: Ninomiya M , Shirabe K , Kayashima H , Ikegami T , Nishie A , Harimoto N , Yamashita Y , Yoshizumi T , Uchiyama H , Maehara Y 
Published: April 2015

Abstract

Background
A precise estimation of the capacity of the remnant liver following partial liver resection is important. In this study, the regional function of the liver in patients undergoing living-donor liver transplantation was evaluated by gadolinium–ethoxybenzyl-diethylenetriamine penta-acetic acid (EOB)-enhanced MRI, with special reference to the congested region.

Methods
EOB-MRI analysis was performed before hepatectomy in donors, and 7 days after surgery in the donor and recipient. In the hepatocyte phase, from images obtained 15 min after Primovist® injection, the signal intensity in each liver segment was measured and divided by the signal intensity of the erector spinae muscle (liver to muscle ratio, LMR) for standardization. Inter-regional differences in LMRs were analysed in donors and recipients.

Results
Thirty-two living donors and 31 recipients undergoing living-donor liver transplantation were enrolled. In donors, the LMRs of the remnant left lobe were almost equivalent among the liver segments. In the remnant right lobe without the middle hepatic vein, the mean(s.d.) LMR for congested segments (S5 and S8) was significantly lower than that for non-congested segments (S6 and S7): 2·60(0·52) versus 3·64(0·56) respectively (P &lt; 0·001). After surgery, values in the non-congested region were almost identical to those in the preoperative donor liver. LMR values in the left and right lobe graft were significantly lower than those in the corresponding segment before donor surgery (P &lt; 0·001).

Conclusion
The function of the congested region secondary to outflow obstruction in the remnant donor liver was approximately 70 per cent of that in the non-congested region. EOB-MRI is a promising tool to assess regional liver function, with good spatial resolution.
Guidance path scheduling using particle swarm optimization in crowd simulation
Authors: Wong Sai‐Keung , Tang Pao‐Kun , Li Fu‐Shun , Wang Zong‐Min , Yu Shih‐Ting 
Published: April 2015

AbstractIn this paper, we propose a method for using particle swarm optimization (PSO) to compute optimal guidance paths for various crowd densities in an agent‐based crowd simulation. The inputs of our system are guidance paths that provide hints for the movement directions of agents. Input guidance paths may not be located correctly (e.g., leading to congestion or high traveling cost); therefore, our method adjusts the guidance paths by using PSO. We consider several factors for evaluating the quality of a guidance path, including the average traveling time and interaction distance between agents. We apply our method in several examples. Experimental results show that our method can compute adaptive guidance paths for various crowd densities. Our system can simulate organized crowds that move in directions specified by the guidance paths. Copyright © 2015 John Wiley & Sons, Ltd.
Giant soap bubble creation model
Authors: Kim Namjung , Oh SaeWoon , Park Kyoungju 
Published: April 2015

AbstractWe present a simple and real‐time technique for animating giant realistic looking soap bubbles. Unlike small spherical soap bubbles, giant soap bubbles stretch significantly and undergo globally varying and locally consistent deformations because of time‐varying surface tensions. For physically plausible surface tensions, we introduce and combine a variable‐length mass spring system and Gibbs elasticity and Marangoni elasticity. Using a proposed framework, we deform our models because of general forces from surface tensions, winds, and excessive pressures. Our framework effectively generates a physically plausible animation of giant soap bubbles, differing in shape according to the user's design; generates capillary waves and vibrations while floating in the air; and shows vivid iridescent colors corresponding to the deformations, all of which have been difficult to achieve using previous soap bubble animation methods. Copyright © 2015 John Wiley & Sons, Ltd.
Hybrid‐based snow simulation and snow rendering with shell textures
Authors: Wong Sai‐Keung , Fu I‐Ting 
Published: April 2015

AbstractIn this study, we develop a system for interactive snow simulation and rendering. Snow is modeled as a hybrid structure that handles movable snow and static snow separately. We develop a simple approach to convert between these two types of snow. Movable snow is represented by a set of particles, whereas static snow is modeled as grid cells. For a piece of movable snow (e.g., snowflake), the particles are connected using springs. Thus, we can model snow as a type of brittle material, such as a snow pile split into chunks of smaller snow pieces after a collision. To render the snow, we adopt a shell structure that has a series of concentric, semitransparent, textured shells. We applied our system to several examples, with the rendered snow appearing similar to real snow. Copyright © 2015 John Wiley & Sons, Ltd.
SpaceTime: adaptive control of the teleported avatar for improved AR tele‐conference experience
Authors: Jo Dongsik , Kim Ki‐Hong , Kim Gerard Jounghyun 
Published: April 2015

AbstractWith the continued technology innovation in object sensing and human motion tracking, the traditional two‐dimensional video‐based tele‐conference systems are projected to evolve into the three‐dimensional immersive and augmented reality (AR) based on which one can communicate with the teleported remote other as if present, moving and interacting naturally in the same location. One technical hurdle to this vision is the need to resolve the environmental differences and the resulting teleported avatar motion anomaly between the remote and local sites. This paper presents a novel method to first establish a spatial and object‐level match between the remote and local sites and adapts the position and motion of the teleported avatar into the local AR space according to the matched information. This results in a natural looking and spatially correct rendering of the remote user in the local augmented space and a significantly improved tele‐conference experience and communication performance. Copyright © 2015 John Wiley & Sons, Ltd.
Advanced ordinary differential equation based head modelling for Chinese marionette art preservation
Authors: Liang Hui , Chang Jian , Yang Xiaosong , You Lihua , Bian Shaojun , Zhang Jian Jun 
Published: April 2015

AbstractPuppetry has been a popular art form for many centuries in different cultures, which becomes a valuable and fascinating heritage assert. Traditional Chinese marionette art with over 2000 years history is one of the most representative forms offering a mixture of stage performance of singing, dancing, music, poetry, opera, story narrative and action. Apart from a set of string rules, which controls the dynamics, head carving skill is another important pillar in this art form.This paper addresses the heritage preservation of the marionette head carving by digitalizing the head models with a novel modelling technique using ordinary differential equations (ODEs). The technique has been specially tailored to suit the modelling complexity and the need of accurate description of shapes. It offers smoothly sewing ODE swept patches to represent the distinct features of a marionette head with sharp variance of local geometry. Such features otherwise are difficult to model and capture accurately, which may require a great effort and tedious handcrafting of an experienced modeller, when using other representation forms like polygons. Copyright © 2015 John Wiley & Sons, Ltd.
Environment optimization for crowd evacuation
Authors: Berseth Glen , Usman Muhammad , Haworth Brandon , Kapadia Mubbasir , Faloutsos Petros 
Published: April 2015

AbstractThe layout of a building, real or virtual, affects the flow patterns of its intended users. It is well established, for example, that the placement of pillars at proper locations can often facilitate pedestrian flow during the evacuation of a building. Such considerations are therefore important for architects, game level developers, and others whose domains involve agents navigating through buildings. In this paper, we take the first steps towards developing a simulation framework that can be used to study the optimal placement of architectural elements, such as pillars or doors, for the purposes of facilitating dense pedestrian flow during the evacuation of a building. In particular, we show that the steering algorithms used to model the local navigation abilities of the agents significantly affect the results, which motivates the need for a statistically valid approach and further study. Copyright © 2015 John Wiley & Sons, Ltd.
Skill learning based catching motion control
Authors: Çimen Gökçen , Kavafoǧlu Zümra , Kavafoǧlu Ersan , Çapın Tolga , Gürcay Haşmet 
Published: April 2015

AbstractLearned biomechanical strategies prepare the human body in kinematics and kinetics terms during interception tasks, such as throwing and catching, in real world. Based on this, we present a real‐time physics‐based approach that generates natural and physically plausible motions for a highly complex task ball catching. We showed that ball catching behavior could be achieved with the proper combination of rather simple motor skills, such as standing, walking, and reaching. The character learns some policies to know how and when to react by using reinforcement learning in order to use time accurately. We demonstrate the effectiveness of our method with some of the catching animation results in different catching strategies. Copyright © 2015 John Wiley & Sons, Ltd.
Skin lesions and neutrophilic leukemoid reaction in a patient with angioimmunoblastic T‐cell lymphoma: a case report and review of the literature
Authors: He Jianming , Liang Houjie 
Published: April 2015

Key Clinical MessageHere, we present a 53‐year‐old man with angioimmunoblastic T‐cell lymphoma accompanied by skin lesions (vesicles, papulovesicles, and miliary papules symmetrically distributed on extremities and trunk, with more distal lesions increasing in severity). Routine blood tests showed a white blood cell count of 58.97 × 109/L (Neutrophils% 91.64%).
A New Type of Lewis Acid–Base Bifunctional M(salphen) (M=Zn, Cu and Ni) Catalysts for CO2 Fixation
Authors: Ren Yanwei , Chen Jungui , Qi Chaorong , Jiang Huanfeng 
Published: April 2015

AbstractA new type of Lewis acid–base bifunctional M(salphen) complexes (M=ZnII, CuII, and NiII) pending two N‐methylhomo‐ piperazine groups as nucleophiles were prepared by a one‐pot method. The Zn(salphen) complexes proved to be efficient and recyclable homogeneous catalysts towards the solvent‐free synthesis of cyclic carbonates from epoxides and CO2 in the absence of a co‐catalyst. The catalysts can be easily recovered and five times reused without significant loss of activity and selectivity.
Tetrakis(dimethoxyphenyl)adamantane (TDA) and Its Inclusion Complexes in the Crystalline State: A Versatile Carrier for Small Molecules
Authors: Schwenger Alexander , Frey Wolfgang , Richert Clemens 
Published: April 2015

AbstractMolecular storage solutions for incorporating small molecules in crystalline matrices are of interest in the context of structure elucidation, decontamination, and slow release of active ingredients. Here we report the syntheses of 1,3,5,7‐tetrakis(2,4‐dimethoxyphenyl)adamantane, 1,3,5,7‐tetrakis(4‐methoxyphenyl)adamantane, 1,3,5,7‐tetrakis(4‐methoxy‐2‐methylphenyl)adamantane, and 1,3,5,7‐tetrakis(4‐methoxy‐2‐ethylphenyl)adamantane, together with their X‐ray crystal structures. All four compounds crystallize readily. Only the octaether shows an unusual level of (pseudo)polymorphism in its crystalline state, combined with the ability to include a number of different small molecules in its crystal lattices. A total of 20 different inclusion complexes with guest molecules as different as ethanol or trifluorobenzene were found. For nitromethane and benzene, schemes for uptake and release are presented.
Intramolecular Communication in Anionic Oxidized Phosphanes through a Chelated Proton
Authors: Popescu A. R. , Rojo I. , Teixidor F. , Sillanpää R. , Viñas C. 
Published: April 2015

AbstractOxidation of the 1,2‐(PR2)2‐1,2‐closo‐C2B10H10 (R=Ph, iPr) platform with hydrogen peroxide in acetone is a two‐step procedure in which partial deboronation of the closo cluster and oxidation of the phosphorus atoms occur. Based on NMR spectroscopic and kinetic data, we demonstrate that the phosphorus atoms are oxidized in the first step, followed by cluster deboronation. DFT calculations and natural‐bond orbital (NBO) analysis were used to obtain insight into the electronic structures of diphosphane ortho‐carborane derivatives.