bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cross‐platform management of intelligent objects behaviors in serious virtual environments
Authors: Rodriguez Inmaculada , Puig Anna , Esteva Marc 
Published: January 2013

ABSTRACTIn this paper, we present a generic interaction framework that controls intelligent objects' actions in different virtual world (VW) platforms. These actions are based on the state of external platform‐independent artificial intelligence‐based systems such as multi‐agent and rule‐based systems. We have evaluated the proposed framework by means of two intelligent objects, a door and a noticeboard, incorporating them in Second Life and OpenWonderland VWs. These objects allow to work along three advanced aspects of a serious virtual environment: it is a dynamic space where participants are synchronously informed about activities evolution inside the virtual space, it can integrate processes and information coming from the real world, and it needs norms to organize participants actions, to define actions consequences, and to prevent undesired participants behaviors. Copyright © 2011 John Wiley & Sons, Ltd.
Electronic Properties of p‐Xylylene and p‐Phenylene Chains Subjected to Finite Bias Voltages: A New Highly Conducting Oligophenyl Structure
Authors: Ramos‐Berdullas Nicolas , Mandado Marcos 
Published: January 2013

AbstractRecently, experimental and theoretical determination of electric currents induced by finite bias voltages in p‐xylylene chains attached to gold contacts revealed higher conductance of these systems in comparison with p‐phenylene homologous chains. To gain more insight into the conducting properties of these oligophenyl structures, ab initio studies were carried out on the electronic properties of two different p‐xylylene‐like chains (pX1 and pX2) and the p‐phenylene (pP) chain attached to gold contacts, with molecular formulas AuCH2(C6H4)nCH2Au (n=1–5), Au2C(C6H4)nCAu2 (n=1–5), and Au(C6H4)nAu (n=1–5), respectively. The molecules were subjected to finite bias voltages ranging from 0 to 5 V. Analysis of the intramolecular electron transfer and electron delocalization revealed a completely opposite response to electric perturbation of pX2 in comparison with pX1 and pP. Thus, in pX2 the applied voltage causes an increase in the electron delocalization within the rings together with a large electron transfer and energetic stabilization. On the contrary, the same voltages partially destroy the electron delocalization in pX1 and pP, produce a large local electron polarization in the benzene rings, and a smaller energetic stabilization. These differences can be rationalized in terms of the role played by polarized valence bond structures in the total wave function. Theoretical estimation of the I/V profiles indicates that pX2 chains are much better electronic conductors than pX1 and pP.
A pH‐Sensitive Lasso‐Based Rotaxane Molecular Switch
Authors: Clavel Caroline , Romuald Camille , Brabet Emile , Coutrot Frédéric 
Published: January 2013

AbstractThe synthesis of a pH‐sensitive two‐station [1]rotaxane molecular switch by self‐entanglement of a non‐interlocked hermaphrodite molecule, containing an anilinium and triazole moieties, is reported. The anilinium was chosen as the best template for the macrocycle benzometaphenylene[25]crown‐8 (BMP25C8) and allowed the self‐entanglement of the molecule. The equilibrium between the hermaphrodite molecule and the pseudo[1]rotaxane was studied by 1H NMR spectroscopy: the best conditions of self‐entanglement were found in the less polar solvent CD2Cl2 and at high dilution. The triazole moiety was then benzylated to afford a benzyltriazolium moiety, which then played a dual role. On one hand, it acts as a bulky gate to trap the BMP25C8, thus to avoid any self‐disentanglement of the molecular architecture. On another hand, it acts as a second molecular station for the macrocycle. At acidic pH, the BMP25C8 resides around the best anilinium molecular station, displaying the lasso [1]rotaxane in a loosened conformation. The deprotonation of the anilinium molecular station triggers the shuttling of the BMP25C8 around the triazolium moiety, therefore tightening the lasso.
Graphene Nanoplatelets: Electrochemical Properties and Applications for Oxidation of Endocrine‐Disrupting Chemicals
Authors: Wan Qijin , Cai Hui , Liu Yi , Song Hongtu , Liao Hualing , Liu Shantang , Yang Nianjun 
Published: January 2013

AbstractIn most graphene‐based electrochemical applications, graphene nanoplatelets (GNPs) have been applied. Now, for the first time, electrochemical properties of GNPs, namely, its electrochemical activity, potential window, and double‐layer capacitance, have been investigated. These properties are compared with those of carbon nanotubes (CNTs). GNP‐ and CNT‐coated electrodes were then applied for electrochemical oxidation of endocrine‐disrupting chemicals. The GNP‐coated electrode was characterized by atomic force microscopy and electrochemical techniques. Compared with the CNT‐coated electrode, higher peak current for the oxidation of 4‐nonylphenol is achieved on the GNP‐coated electrode, together with lower capacitive current. Electrochemical oxidation of 2,4‐dichlorophenol, bisphenol A, and octylphenol in the absence or presence of 4‐nonylphenol was studied on the GNP‐coated electrode. The results suggest that GNPs have better electrochemical performance than CNTs and are thus more promising for electrochemical applications, for example, electrochemical detection and removal of endocrine‐disrupting chemicals.
Size‐Selective Encapsulation of Hydrophobic Guests by Self‐Assembled M4L6 Cobalt and Nickel Cages
Authors: Ronson Tanya K. , Giri Chandan , Kodiah Beyeh N. , Minkkinen Antti , Topić Filip , Holstein Julian J. , Rissanen Kari , Nitschke Jonathan R. 
Published: January 2013

AbstractSubtle differences in metal–ligand bond lengths between a series of [M4L6]4− tetrahedral cages, where M=FeII, CoII, or NiII, were observed to result in substantial differences in affinity for hydrophobic guests in water. Changing the metal ion from iron(II) to cobalt(II) or nickel(II) increases the size of the interior cavity of the cage and allows encapsulation of larger guest molecules. NMR spectroscopy was used to study the recognition properties of the iron(II) and cobalt(II) cages towards small hydrophobic guests in water, and single‐crystal X‐ray diffraction was used to study the solid‐state complexes of the iron(II) and nickel(II) cages.
The Boron Conundrum: Which Principles Underlie the Formation of Large Hollow Boron Cages?
Authors: Muya Jules Tshishimbi , Lijnen Erwin , Nguyen Minh Tho , Ceulemans Arnout 
Published: January 2013

AbstractExtensive optimisation calculations are performed for the B80 isomers in order to find out which principles underlie the formation of large hollow boron cages. Our analysis shows that the most stable isomers contain triangular B10 or rhombohedral B16 building blocks. The lowest‐energy isomer has C3v symmetry and is characterised by a belt of three interconnected B16 units and two separate B10 units. At the B3LYP/6‐31G(d) level of theory, this newly discovered isomer is 2.29, 1.48, and 0.54 eV below the leapfrog B80 of Szwacki et al., the Th‐B80 of Wang, and the D3d‐B80 of Pochet et al., respectively. Our C3v isomer is therefore identified as the most stable hollow cage isomer of B80 presently known. Its HOMO–LUMO gap of 1.6 eV approaches that of the leapfrog B80. The leapfrog principle still remains a reliable scheme for producing boron cages with larger HOMO–LUMO gaps, whereas the thermodynamically most stable B80 cages are formed when all pentagonal faces are capped. We show that large hollow cages of boron retain a preference for fullerene frames. The additional capping is in accordance with the following rules: preference for capping of pentagonal faces, formation of B10 and/or B16 units, homogeneous distribution of the hexagonal caps, and hole density approaching 1/9. Although our most stable B80 isomer still remains higher in energy than the B80 core–shell structure, we show that by applying the bonding principles to larger structures it is possible to construct boron cages with higher stabilisation energy per boron atom than the core–shell structure; a prototypical example is B160. This clearly shows the continuous competition between the two suggested construction schemes, namely, the formation of multiple‐shell structures and hollow cages.
Microlens for uncooled infrared array sensor
Authors: Yamazaki Ryo , Obana Akimitsu , Kimata Masafumi 
Published: January 2013

AbstractThe paper describes the design and fabrication of a microlens for improvement of the sensitivity of uncooled infrared array sensors. We improved the sensitivity by focusing infrared rays on the detector. The microlens is made of silicon, which is a typical substrate for MEMS technology. We fabricated it by photolithography technology using a gray scale mask and an etch‐back process by selectivity‐controlled dry etching. This process enables us to fabricate a 43‐µm‐high silicon microlens from only a 2‐ to 3‐µm‐high photoresist structure. To confirm the usefulness of the microlens, we developed a small infrared array sensor with microlens. Evaluation results show that the microlens improved the sensitivity by 4.2 times, thereby suggesting that microlens is a promising technology for sensitivity improvement. © 2013 Wiley Periodicals, Inc. Electron Comm Jpn, 96(2): 1–8, 2013; Published online in Wiley Online Library (wileyonlinelibrary.com). DOI 10.1002/ecj.11453
X‐ray Crystallographic and First‐Principles Theoretical Studies of K2[TcOCl5] and UV/Vis Investigation of the [TcOCl5]2– and [TcOCl4]– Ions
Authors: Johnstone Erik V. , Weck Philippe F. , Poineau Frederic , Kim Eunja , Forster Paul M. , Sattelberger Alfred P. , Czerwinski Kenneth R. 
Published: January 2013

AbstractDipotassium pentachloridooxidotechnetate, K2[TcOCl5], has been isolated as green single crystals by the dissolution of (NH4)TcO4 in 12 M HCl at 0 °C and careful precipitation with KCl. The structure of this compound was determined by single‐crystal X‐ray diffraction analysis [a = 13.0815(9), b = 9.8982(6), c = 6.7623(4) Å; V = 875.605 Å3, orthorhombic, Pnma, Z = 4] and compared with the corresponding molybdenum and rhenium analogues. The structure of K2[TcOCl5] was also investigated by density functional theory, and the results are in agreement with the crystallographic data. The oscillator strengths of the electronic transitions in the C4v complex anions [TcOCl5]2– and [TcOCl4]– were also calculated by using time‐dependent density functional theory and compared with the experimental UV/Vis spectra.
Aptamer‐Assisted Gold Nanoparticles/PEDOT Platform for Ultrasensitive Detection of LPS
Authors: Su Wenqiong , Cho MiSuk , Nam Jae‐Do , Choe Woo‐Seok , Lee Youngkwan 
Published: January 2013

AbstractNeatly arranged gold nanoparticles (AuNPs) were directly electrodeposited on an electrochemically polymerized self‐assembled monolayer (SAM) of thiol‐functionalized 3,4‐ethylenedioxythiophene (EDOT) derivative, EDTMSHA. A thiolated single‐stranded DNA (ssDNA) aptamer with high specificity to LPS was immobilized on the AuNPs/conducting polymer composite film, serving as sensing platform for LPS detection. Electrochemical impedance spectroscopy (EIS), cyclic voltammetry (CV), scanning electron microscope (SEM), and atomic force microscopy (AFM) were utilized to characterize the modification and detection processes. The electron transfer resistance was found to have a linear relationship with LPS concentration from 0.1 pg/mL to 1 ng/mL.
The usefulness of hydrazine derivatives for mass spectrometric analysis of carbohydrates
Authors: Lattová Erika , Perreault Hélène 
Published: January 2013

AbstractOver the last years, extensive studies have evaluated glycans from different biological samples and validated the importance of glycosylation as one of the most important post‐translational modifications of proteins. Although a number of new methods for carbohydrate analysis have been published and there has been significant progress in their identification, the development of new approaches to study these biomolecules and understand their role in living systems are still vivid challenges that intrigue glycobiologists. In the last decade, the success in analyses of oligosaccharides has been driven mainly by the development of innovative, highly sensitive mass spectrometry techniques. For enhanced mass spectrometry detection, carbohydrate molecules are often derivatized. Besides, the type of labeling can influence the fragmentation pattern and make the structural analysis less complicated. In this regard, in 2003 we introduced the low scale, simple non‐reductive tagging of glycans employing phenylhydrazine (PHN) as the derivatizing reagent. PHN‐labeled glycans showed increased detection and as reported previously they can be analyzed by HPLC, ESI, or MALDI immediately after derivatization. Under tandem mass spectrometry conditions, PHN‐derivatives produced useful data for the structural elucidation of oligosaccharides. This approach of analysis has helped to reveal new isomeric structures for glycans of known/unknown composition and has been successfully applied for the profiling of N‐glycans obtained from serum samples and cancer cells. The efficacy of this labeling has also been evaluated for different substituted hydrazine reagents. This review summarizes all types of reducing‐end labeling based on hydrazone‐linkage that have been used for mass spectrometric analyses of oligosaccharides. This review is also aimed at correcting some past misconceptions or interpretations reported in the literature. © 2013 Wiley Periodicals, Inc. Rapid Commun. Mass Spectrom. 32: 366–385, 2013.
The telomere/telomerase binding factor PinX1 is a new target to improve the radiotherapy effect of oesophageal squamous cell carcinomas
Authors: Qian Dong , Zhang Bin , He Li‐Ru , Cai Mu‐Yan , Mai Shi‐Juan , Liao Yi‐Ji , Liu Yan‐Hui , Lin Marie C , Bian Xiu‐Wu , Zeng Yi‐Xin , Huang Jun‐Jian , Kung Hsiang‐Fu , Xie Dan 
Published: January 2013

AbstractChemoradiotherapy (CRT) is a standard treatment for oesophageal squamous cell carcinoma (ESCC) in its advanced stages. The telomerase/telomere interacting protein PinX1 contributes to telomere maintenance, tumourigenicity, and influences the DNA damage agent‐induced apoptotic response in telomerase‐positive cancer cells. However, the clinical and biological significance of PinX1 in human ESCCs remains unclear. We examined the expression dynamics of PinX1 by immunohistochemistry in a learning cohort (n = 98) and a validation cohort (n = 59) of ESCC patients treated with definite chemoradiotherapy (CRT). A series of in vivo and in vitro assays were performed to elucidate the effect of PinX1 on ESCC cells' CRT response and underlying mechanisms. Knockdown of PinX1 did not affect ESCC cells' chemosensitivities to 5‐fluorouracil and cisplatin, but substantially increased ESCC cells' therapeutic efficacy of radiation both in vitro and in vivo. Ectopic overexpression of PinX1 dramatically enhanced ESCC cells' resistance to radiotherapy. Furthermore, we demonstrated that PinX1 resistance to radiotherapy (RT) was attributed to PinX1 maintaining telomere stability, reducing ESCC cell death by RT‐induced mitosis catastrophe (MC). High expression of Pinx1 correlated positively with ESCC's resistance to CRT, and was a strong and independent predictor for short disease‐specific survival (DSS) of ESCC patients. Our data suggest that PinX1 could serve as a novel predictor for a CRT response to ESCC patients, and the pathway of PinX1‐mediated telomere stability might represent a new target to improve the RT effect of ESCC. Copyright © 2013 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.
Decitabine represses translocated MYC oncogene in Burkitt lymphoma
Authors: Guan Hanfeng , Xie Linka , Klapproth Kay , Weitzer Clarissa D , Wirth Thomas , Ushmorov Alexey 
Published: January 2013

AbstractBurkitt lymphoma (BL) is caused by translocation of the MYC gene to an immunoglobulin locus resulting in its constitutive expression depending on the activity of the immunoglobulin (Ig) enhancer elements. Treatment of BL cell lines with epigenetic modifiers is known to repress B‐cell‐specific genes and to up‐regulate B‐cell‐inappropriate genes including the transcription repressor ID2 expression. We found that the DNA methyltransferase inhibitor decitabine/5‐aza‐2‐deoxycytidine (5‐aza‐dC) represses the MYC oncogene on RNA and protein levels by inducing ID2. Down‐regulation of MYC was associated with repression of transcriptional activity of the Ig locus and with inhibition of proliferation. The induction of ID2 can be in part explained by activation of the transcription factor NF‐κB. We conclude that up‐regulation of ID2 contributes to anti‐tumour activity of 5‐aza‐dC via repression of Ig locus activity and consequently MYC expression. Copyright © 2013 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.
Blocking and Removing Illegal Child Sexual Content: Analysis from a Technical and Legal Perspective
Authors: Demeyer Karel , Lievens Eva , Dumortier Jos 
Published: January 2013

AbstractIn 2011, the Directive of the European Parliament and of the Council on Combating the Sexual Abuse, Sexual Exploitation of Children and Child Pornography was adopted, repealing and updating the 2004 Framework Decision on this topic. The much debated Article 25 of this proposal requires Member States to ensure the prompt removal of child pornography websites hosted in their territory and to endeavor to obtain the removal of such websites hosted outside their territory. It also leaves the option for Member States, subject to several safeguards, to block access to such websites to users within their territory. Both these policy choices are highly controversial and much debated, both at the level of the European Union and within Member States. This article analyzes both mechanisms, describing them from a technical as well as a legal point of view, in order to provide more clarity as to the advantages and drawbacks of these policy options.
Evolutionary conservation of the polyproline II conformation surrounding intrinsically disordered phosphorylation sites
Authors: Austin Elam W. , Schrank Travis P. , Campagnolo Andrew J. , Hilser Vincent J. 
Published: January 2013

AbstractIntrinsically disordered (ID) proteins function in the absence of a unique stable structure and appear to challenge the classic structure‐function paradigm. The extent to which ID proteins take advantage of subtle conformational biases to perform functions, and whether signals for such mechanism can be identified in proteome‐wide studies is not well understood. Of particular interest is the polyproline II (PII) conformation, suggested to be highly populated in unfolded proteins. We experimentally determine a complete calorimetric propensity scale for the PII conformation. Projection of the scale into representative eukaryotic proteomes reveals significant PII bias in regions coding for ID proteins. Importantly, enrichment of PII in ID proteins, or protein segments, is also captured by other PII scales, indicating that this enrichment is robustly encoded and universally detectable regardless of the method of PII propensity determination. Gene ontology (GO) terms obtained using our PII scale and other scales demonstrate a consensus for molecular functions performed by high PII proteins across the proteome. Perhaps the most striking result of the GO analysis is conserved enrichment (P < 10−8) of phosphorylation sites in high PII regions found by all PII scales. Subsequent conformational analysis reveals a phosphorylation‐dependent modulation of PII, suggestive of a conserved “tunability” within these regions. In summary, the application of an experimentally determined polyproline II (PII) propensity scale to proteome‐wide sequence analysis and gene ontology reveals an enrichment of PII bias near disordered phosphorylation sites that is conserved throughout eukaryotes.
Biosafety and Bioapplication of Nanomaterials by Designing Protein–Nanoparticle Interactions
Authors: Yang Sheng‐Tao , Liu Ying , Wang Yan‐Wen , Cao Aoneng 
Published: January 2013

AbstractThe protein–nanoparticle (NP) interface is a current frontier of multiple disciplines, full of challenges and opportunities. The unique behaviors of nanomaterials (NMs) bring many exciting applications, and also raise safety concerns. Beyond bioapplications, various NMs could also enter human bodies from the environment. When entering human bodies, NPs interact with various biomolecules, especially proteins, forming a protein corona. This protein–NP complex is what the biosystems 'see' and 'respond to'. Therefore, understanding how NPs interact with proteins is crucial for both bioapplications and the biosafety of NMs. In this review, the current understanding of protein–NP interactions is summarized, including the theoretical background, experimental results, and computational progresses. Guidelines for improving bioapplication performance and reducing the potential biosafety hazard of NMs by designing the protein–NP interactions are discussed, along with future directions and challenges in this exciting field.
Sharpening the Thermal Release of DNA from Nanoparticles: Towards a Sequential Release Strategy
Authors: Díaz Julián A. , Gibbs‐Davis Julianne M. 
Published: January 2013

AbstractUnlike the sharp melting behavior of DNA‐linked nanoparticle aggregates, the melting of DNA strands from individual gold nanoparticles is broad despite the high surface density of bound DNA. Here, it is demonstrated how sharpened melting can be achieved in colloidal nanoparticle systems using branched DNA–doubler structures hybridized with complementary DNA‐doublers bound to the gold nanoparticle. Moreover, sharpened transitions are observed when DNA‐doublers are hybridized with linear DNA‐modified gold nanoparticles. This result suggests that the DNA density on nanoparticles is intrinsically great enough to form cooperative structures with the DNA‐doublers. Finally, by introducing abasic destabilizing groups, the melting temperature of these DNA‐doublers decreases without decreasing the sharpness. Consequently, by varying the temperature, two DNA‐doublers with different stabilities dissociate sequentially from the gold nanoparticle surface, without overlapping and within a narrow temperature window. Owing to the excellent thermal selectivities exhibited by this system, the implementation of DNA‐doublers in sequential photothermal therapies and with other nanomedicine delivery agents that rely on DNA dissociation as the mechanism of selective release is anticipated.
Direct displacement‐based design of steel‐braced reinforced concrete frames
Authors: Malekpour Saleh , Ghaffarzadeh Hosein , Dashti Farhad 
Published: January 2013

SUMMARYThis study investigates a direct displacement‐based design procedure for dual system structures composed of reinforced concrete frames and steel bracings. In this procedure, in order to establish the design displacement profile before any analysis, strength proportions between bracings and frames are assigned. By using the displacement profile and damping characteristics of the structural components, the structure can be represented as an equivalent single‐degree‐of‐freedom system. The effective period and secant stiffness of the structure are then calculated, and finally, after the base shear was computed, the design process can be implemented. Structures with 4, 8 and 12 stories have been designed using this methodology, and in order to validate it, seven accelerograms have been used for nonlinear time‐history analysis of the above structures. The results demonstrate the efficiency of this procedure. Copyright © 2012 John Wiley & Sons, Ltd.