bluuebunny/crossref_metadata_2025 huggingface dataset:
Epidemic risk from friendship network data: an equivalence with a non-uniform sampling of contact networks
Authors: Fournet Julie , Barrat Alain
Published: April 2016

Contacts between individuals play an important role in determining how infectious diseases spread. Various methods to gather data on such contacts co-exist, from surveys to wearable sensors. Comparisons of data obtained by different methods in the same context are however scarce, in particular with respect to their use in data-driven models of spreading processes. Here, we use a combined data set describing contacts registered by sensors and friendship relations in the same population to address this issue in a case study. We investigate if the use of the friendship network is equivalent to a sampling procedure performed on the sensor contact network with respect to the outcome of simulations of spreading processes: such an equivalence might indeed give hints on ways to compensate for the incompleteness of contact data deduced from surveys. We show that this is indeed the case for these data, for a specifically designed sampling procedure, in which respondents report their neighbors with a probability depending on their contact time. We study the impact of this specific sampling procedure on several data sets, discuss limitations of our approach and its possible applications in the use of data sets of various origins in data-driven simulations of epidemic processes.
Solvatochromism of dye-labeled dendronized polymers of generation numbers 1–4: comparison to dendrimers
Authors: Gstrein Chiara , Zhang Baozhong , Abdel-Rahman Mona Ahmed , Bertran Oscar , Alemán Carlos , Wegner Gerhard , Schlüter A. Dieter
Published: April 2016

Two series of dendronized polymers (DPs) of generationsg= 1–4 with different levels of dendritic substitution (low and high) and a solvatochromic probe atg= 1 level are used to study their swelling behavior in a collection of solvents.
Bone-marrow mimicking biomaterial niches for studying hematopoietic stem and progenitor cells
Authors: Nelson Michael R. , Roy Krishnendu
Published: April 2016

This review discusses the considerations and approaches that have been employed for designing biomaterial based cultures for replicating the hematopoietic stem and progenitor cell niche.
Correction: Shell-isolated nanoparticle-enhanced Raman spectroscopy study of the adsorption behaviour of DNA bases on Au(111) electrode surfaces
Authors: Wen Bao-Ying , Jin Xi , Li Yue , Wang Ya-Hao , Li Chao-Yu , Liang Miao-Miao , Panneerselvam Rajapandiyan , Xu Qing-Chi , Wu De-Yin , Yang Zhi-Lin , Li Jian-Feng , Tian Zhong-Qun
Published: April 2016

Correction for ‘Shell-isolated nanoparticle-enhanced Raman spectroscopy study of the adsorption behaviour of DNA bases on Au(111) electrode surfaces’ by Bao-Ying Wen et al., Analyst, 2016, DOI: 10.1039/c6an00180g.
Determination of trace phenolic acids in fruit juice samples using multiple monolithic fiber solid-phase microextraction coupled with high-performance liquid chromatography
Authors: Pei Miao , Huang Xiaojia
Published: April 2016

A simple and sensitive analytical approach of MMF/SPME-LD-HPLC/DAD was proposed for the determination of trace level of phenolic acids in fruit juice samples.
Stability of solution-processed MAPbI3 and FAPbI3 layers
Authors: Smecca Emanuele , Numata Youhei , Deretzis Ioannis , Pellegrino Giovanna , Boninelli Simona , Miyasaka Tsutomu , La Magna Antonino , Alberti Alessandra
Published: April 2016

Left panel: representation of our model with the associated experimental activation energies for MAPbI3 stability; right panel: the effect of replacing MA+ with FA+ ions on the material stability measured by their half-life time at high working temperatures in air.
Correction: Effects of p-substituents on electrochemical CO oxidation by Rh porphyrin-based catalysts
Authors: Yamazaki Shin-ichi , Yamada Yusuke , Takeda Sahori , Goto Midori , Ioroi Tsutomu , Siroma Zyun , Yasuda Kazuaki
Published: April 2016

Correction for ‘Effects of p-substituents on electrochemical CO oxidation by Rh porphyrin-based catalysts’ by Shin-ichi Yamazaki et al., Phys. Chem. Chem. Phys., 2010, 12, 8968–8976.
Protein self-assembly via supramolecular strategies
Authors: Bai Yushi , Luo Quan , Liu Junqiu
Published: April 2016

This review provides a panoramic sketch of the emergent researching field of building protein self-assembly systems based on supramolecular strategies.
Heterogeneous photoredox synthesis of N-hydroxy-oxazolidinones catalysed by metal–organic frameworks
Authors: Logan Matthew W. , Lau Yuen A. , Zheng Yongsheng , Hall Elizabeth A. , Hettinger Michelle A. , Marks Randal P. , Hosler Matthew L. , Rossi Francis M. , Yuan Yu , Uribe-Romo Fernando J.
Published: April 2016

The photocatalytic conversion ofN-hydroxy-carbamates toN-hydroxy-oxazolidinones using metal–organic frameworks is reported herein.
Synthesis of tetraphosphine macrocycles using copper(i) templates
Authors: Nell Bryan P. , Swor Charles D. , Henle E. Adrian , Zakharov Lev N. , Rinehart N. Ian , Nathan Aditya , Tyler David R.
Published: April 2016

Two general synthetic routes to tetradentate phosphine macrocycles using a templating metal (Cu(i)) that can be removed without decomposing the ligand were investigated.
A multi-step solvent-free mechanochemical route to indium(iii) complexes
Authors: Wang Jingyi , Ganguly Rakesh , Yongxin Li , Díaz Jesus , Soo Han Sen , García Felipe
Published: April 2016

Indium complexes bearing bis(imino)acenaphthene (BIAN) ligands have been synthesized using “solvent-free”, facile mechanochemistry and can potentially be used as photosensitizers.
Significance of different carbon forms and carbonic anhydrase activity in monitoring and prediction of algal blooms in the urban section of Jialing River, Chongqing, China
Authors: Nie Yudong , Zhang Zhi , Shen Qian , Gao Wenjin , Li Yingfan
Published: April 2016

The relationships among carbonic anhydrase activity, algal cell density, and other environmental parameters have been investigated in Jialing River, which provide a new method of monitoring algal cell density and predicting algal blooms.
On the use of molecular-based thermodynamic models to assess the performance of solvents for CO2 capture processes: monoethanolamine solutions
Authors: Brand Charles V. , Graham Edward , Rodríguez Javier , Galindo Amparo , Jackson George , Adjiman Claire S.
Published: April 2016

Predictive models play an important role in the design of post-combustion processes for the capture of carbon dioxide (CO2) emitted from power plants. A rate-based absorber model is presented to investigate the reactive capture of CO2 using aqueous monoethanolamine (MEA) as a solvent, integrating a predictive molecular-based equation of state: SAFT-VR SW (Statistical Associating Fluid Theory-Variable Range, Square Well). A distinctive physical approach is adopted to model the chemical equilibria inherent in the process. This eliminates the need to consider reaction products explicitly and greatly reduces the amount of experimental data required to model the absorber compared to the more commonly employed chemical approaches. The predictive capabilities of the absorber model are analyzed for profiles from 10 pilot plant runs by considering two scenarios: (i) no pilot-plant data are used in the model development; (ii) only a limited set of pilot-plant data are used. Within the first scenario, the mass fraction of CO2 in the clean gas is underestimated in all but one of the cases, indicating that a best-case performance of the solvent can be obtained with this predictive approach. Within the second scenario a single parameter is estimated based on data from a single pilot plant run to correct for the dramatic changes in the diffusivity of CO2 in the reactive solvent. This parameter is found to be transferable for a broad range of operating conditions. A sensitivity analysis is then conducted, and the liquid viscosity and diffusivity are found to be key properties for the prediction of the composition profiles. The temperature and composition profiles are sensitive to thermodynamic properties that correspond to major sources of heat generation or dissipation. The proposed modelling framework can be used as an early assessment of solvents to aid in narrowing the search space, and can help in determining target solvents for experiments and more detailed modelling.
Development of GSK's NMR guides – a tool to encourage the use of more sustainable solvents
Authors: Gottlieb Hugo E. , Graczyk-Millbrandt Grazyna , Inglis Graham G. A. , Nudelman Abraham , Perez David , Qian Yanqiu , Shuster Leanna E. , Sneddon Helen F. , Upton Richard J.
Published: April 2016

Updated guide to NMR chemical shifts of solvents as trace impurities, combining new greener solvent data with previously reported information.
Fully automated and colorimetric foodborne pathogen detection on an integrated centrifugal microfluidic device
Authors: Oh Seung Jun , Park Byung Hyun , Choi Goro , Seo Ji Hyun , Jung Jae Hwan , Choi Jong Seob , Kim Do Hyun , Seo Tae Seok
Published: April 2016

This work describes fully automated and colorimetric foodborne pathogen detection on an integrated centrifugal microfluidic device, which is called a lab-on-a-disc.
Polyoxomolybdate-stabilized Cu2O nanoparticles as an efficient catalyst for the azide–alkyne cycloaddition
Authors: Amini Mojtaba , Naslhajian Hadi , F. Farnia S. Morteza , Kyoung Kang Hee , Gautam Sanjeev , Chae Keun Hwa
Published: April 2016

A Cu2O@{Mo36} composite has been utilized as a recyclable catalyst for the Huisgen 1,3-dipolar cycloaddition reaction.
PIDA–I2 mediated direct vicinal difunctionalization of olefins: iodoazidation, iodoetherification and iodoacyloxylation
Authors: Achar Tapas Kumar , Maiti Saikat , Mal Prasenjit
Published: April 2016

I+ (IOAc) was produced from the combination of phenyliodine diacetate (PIDA) and iodine.
The total synthesis and functional evaluation of fourteen stereoisomers of yaku'amide B. The importance of stereochemistry for hydrophobicity and cytotoxicity
Authors: Mutoh Hiroyuki , Sesoko Yusuke , Kuranaga Takefumi , Itoh Hiroaki , Inoue Masayuki
Published: April 2016

Yaku'amide B is a highly unsaturated linear tridecapeptide and an extremely potent cytotoxin.
Fabrication of ultra-high energy and power asymmetric supercapacitors based on hybrid 2D MoS2/graphene oxide composite electrodes: a binder-free approach
Authors: Patil Umakant M. , Nam Min Sik , Kang Seokwon , Sohn Ji Soo , Sim Heung Bo , Kang Shinill , Jun Seong Chan
Published: April 2016

Two-dimensional (2D) materials, graphene oxide (GO) and layered molybdenum disulfide (MoS2) nanosheets composite have been potentially investigated as novel energy storage materials due to their unique physicochemical properties.
Preparation and characterization of magnetic nanoparticles and their impact on anticancer drug binding and release processes moderated through a 1sttier dendrimer
Authors: Pandya Shivani R. , Singh Man
Published: April 2016

MNPs show superparamagnetic character which moderates the structural ability of TTDMM to bind silibinin (SB) and methotrexate (MTX) anticancer drugs for their potential use in drug delivery systems.
Synthesis of a new Pd(0)-complex supported on boehmite nanoparticles and study of its catalytic activity for Suzuki and Heck reactions in H2O or PEG
Authors: Ghorbani-Choghamarani Arash , Tahmasbi Bahman , Moradi Parisa
Published: April 2016

Pd(0)–SMTU–boehmite was prepared using commercial materials and was applied as a moisture-and air-stable nanocatalyst for C–C couplings in H2O or PEG-400.
Synthesis and structural characterization of ZnxFe3−xO4 ferrite nanoparticles obtained by an electrochemical method
Authors: Rivero María , del Campo Adolfo , Mayoral Álvaro , Mazario Eva , Sánchez-Marcos Jorge , Muñoz-Bonilla Alexandra
Published: April 2016

A series of ferrite nanoparticles with different Zn content were synthesized following a single-step electrochemical method in aqueous medium.
Efficient antibacterial activity via protein degradation of a 3D layered double hydroxide–reduced graphene oxide nanohybrid
Authors: Komarala EswaraVara Prasadarao , Doshi Sejal , Mohammed Aslam , Bahadur Dhirendra
Published: April 2016

E. coli interaction with a LDH–rGO nanohybrid depicting step-wise antibacterial, protein degradation & oxidative stress activity.
Preparation and characterization of bark-derived phenol formaldehyde foams
Authors: Li B. , Feng S. H. , Niasar H. S. , Zhang Y. S. , Yuan Z. S. , Schmidt J. , Xu C.
Published: April 2016

Bark-derived oils produced by hydrothermal liquefaction of outer/inner white birch bark in an ethanol–water (1 : 1, w/w) mixture were utilized for the synthesis of bio-based phenol formaldehyde (BPF) foamable resole resins with different levels of phenol substitution ratios.
Functional organogelators formed by liquid-crystal carbazole-containing bis-MPA dendrimers
Authors: Gracia I. , Serrano J. L. , Barberá J. , Omenat A.
Published: April 2016

Functional organogels based on carbazole-containing liquid crystal block codendrimers that show an increased fluorescence emission and redox properties.
Large area transparent ZnO photodetectors with Au wire network electrodes
Authors: Kiruthika S. , Singh Shubra , Kulkarni Giridhar U.
Published: April 2016

A large area highly transparent UV photodetector is fabricated using Au wire networks as transparent electrodes and ZnO as the active layer.
A NiCo/NiO–CoOx ultrathin layered catalyst with strong basic sites for high-performance H2 generation from hydrous hydrazine
Authors: Wu Dandan , Wen Ming , Lin Xijian , Wu Qingsheng , Gu Chen , Chen Hanxing
Published: April 2016

The NiCo/NiO–CoOx ultra-thin layered catalyst exhibits high-performance towards H2 generation from N2H4·H2O without alkali as a catalyst promoter at 25 °C.
Single-crystal β-NiS nanorod arrays with a hollow-structured Ni3S2 framework for supercapacitor applications
Authors: Li Wei , Wang Shaolan , Xin Lipeng , Wu Ming , Lou Xiaojie
Published: April 2016

Single-crystal β-NiS nanorod arrays were in situ grown on a hollow structured Ni3S2 porous framework by a facile one-step solvothermal approach, and finally the materials with a pine twig-like structure are constructed for high-performance electrode materials in supercapacitors.
A highly efficient covalent organic framework film photocatalyst for selective solar fuel production from CO2
Authors: Yadav Rajesh K. , Kumar Abhishek , Park No-Joong , Kong Ki-Jeong , Baeg Jin-Ook
Published: April 2016

The successful development of a triazine based covalent organic framework as an inexpensive and highly efficient visible light active flexible film photocatalyst for solar fuel production from CO2is described.
Pluripotent stem cell derived hepatocytes: using materials to define cellular differentiation and tissue engineering
Authors: Lucendo-Villarin B. , Rashidi H. , Cameron K. , Hay D. C.
Published: April 2016

Pluripotent stem cell derived liver cells (hepatocytes) represent a promising alternative to primary tissue for biological and clinical applications.
Hysteretic magnetoelectric behavior of CoFe2O4–BaTiO3 composites prepared by reductive sintering and reoxidation
Authors: Walther Till , Straube Ulrich , Köferstein Roberto , Ebbinghaus Stefan G.
Published: April 2016

Magnetoelectric composites (CoFe2O4)x–(BaTiO3)1−x with x = 0.1, 0.2, 0.3, 0.4 and 0.5 were prepared by a polyol mediated synthesis route followed by reactive densification.
Multi-tissue metabolic responses of goldfish (Carassius auratus) exposed to glyphosate-based herbicide
Authors: Li Ming-Hui , Xu Hua-Dong , Liu Yan , Chen Ting , Jiang Lei , Fu Yong-Hong , Wang Jun-Song
Published: April 2016

Glyphosate disturbed the metabolomic profiles of goldfish, with regard to metabolic pathways that were related with its toxicity.
Characteristics of Auditory Processing Disorders: A Systematic Review
Authors: de Wit Ellen , Visser-Bochane Margot I. , Steenbergen Bert , van Dijk Pim , van der Schans Cees P. , Luinge Margreet R.
Published: April 2016

Purpose

The purpose of this review article is to describe characteristics of auditory processing disorders (APD) by evaluating the literature in which children with suspected or diagnosed APD were compared with typically developing children and to determine whether APD must be regarded as a deficit specific to the auditory modality or as a multimodal deficit.

Method

Six electronic databases were searched for peer-reviewed studies investigating children with (suspected) APD in comparison with typically developing peers. Relevant studies were independently reviewed and appraised by 2 reviewers. Methodological quality was quantified using the American Speech-Language-Hearing Association's levels of evidence.

Results

Fifty-three relevant studies were identified. Five studies were excluded because of weak internal validity. In total, 48 studies were included, of which only 1 was classified as having strong methodological quality. Significant dissimilarities were found between children referred with listening difficulties and controls. These differences relate to auditory and visual functioning, cognition, language, reading, and physiological and neuroimaging measures.

Conclusions

Methodological quality of most of the incorporated studies was rated moderate due to the heterogeneous groups of participants, inadequate descriptions of participants, and the omission of valid and reliable measurements. The listening difficulties of children with APD may be a consequence of cognitive, language, and attention issues rather than bottom-up auditory processing.

Supplemental Material

https://doi.org/10.23641/asha.14963637
Mild Hearing Loss Can Impair Brain Function
Authors: Sanes Dan H.
Published: April 2016

The emphasis of hearing loss research has been to establish the long-term consequences of permanent, severe to profound deafness. However, auditory processing deficits can be induced by transient, mild hearing loss during childhood. These deficits in perception, speech, and language processing can persist long after normal audibility is restored. One explanation for the persistence of these deficits is that transient hearing loss causes irreversible changes to the central nervous system (CNS) cellular properties that may lead to degraded stimulus encoding. Therefore, this review evaluates the premise that mild hearing loss during development induces behavioral deficits, and that these auditory deficits are causally related to changes within the CNS.
Dynamic spectrum access for energy‐constrained CR: single channel versus switched multichannel
Authors: Agarwal Satyam , De Swades
Published: April 2016

In energy‐constrained cognitive radio networks (CRNs), the choice on single channel access versus switched multichannel access is critical for energy saving and sustainable network operation. In this study, the authors study and compare the energy efficiency of switched (probabilistic) multichannel access (pMCA) and fixed single‐channel access (SCA) in CRNs. In pMCA, a secondary user (SU) switches channel with certain probability whenever it encounters a busy channel. In SCA on the other hand, the SU stays on the same channel for its usage and waits for its availability. Via an analytical framework the authors derive the channel utilisation and energy efficiency of the two schemes. From the results the authors examine the primary user (PU) traffic dependent optimum switching probability in pMCA and the regime of PU activity dynamics where SCA outperforms pMCA.
Secure communication design for multi‐user peer‐to‐peer wireless relay networks
Authors: Gong Xiangwu , Long Hang , Dong Feihong , Yin Hao
Published: April 2016

In this study, physical layer security techniques are studied for multi‐user peer‐to‐peer relay networks using amplify‐and‐forward protocol in the presence of an eavesdropper. Two system designs are considered: the minimum achievable secrecy rate maximisation and the total transmit power minimisation. First, considering user fairness, the authors study the max–min achievable secrecy rate problem subject to a total transmit power constraint. Mathematically, the optimisation problem is non‐linear and non‐convex. They propose a polynomial time algorithm based on the bisection technique to solve it. Second, they study the total transmit power minimisation problem which aims at minimising the total transmit power at relays such that individual secrecy rate for each user is satisfied. The total power optimisation problem is also non‐convex, so they use the relaxation technique to transform it into a convex problem which can be efficiently solved by the gradient‐based algorithms. Numerical evaluation of the obtained secrecy rate and transmit power results shows that the proposed designs can significantly improve the performance of secure wireless communications.
GTCLC: leaf classification method using multiple descriptors
Authors: Kalyoncu Cem , Toygar Önsen
Published: April 2016

The authors propose Geometric, texture and color based leaf classification, a novel leaf classification method using a combination of geometric, shape, texture and colour features that are extracted from the photographic image of leaves. This method combines features that complement each other to define the leaf. A new local binary pattern (LBP) variant, namely sorted uniform LBP (LBPP,Rsu2), is also proposed for leaf texture description. The experiments show that LBPP,Rsu2 has a higher accuracy in leaf texture classification compared with classical rotation invariant LBP variants. In addition, mean and deviation of hue channel International Commission on Illumination – lightness, chroma, hue colour models – are used to describe the colour tone of the leaf. The proposed feature descriptors require a classifier that can prioritise different features. In this study, linear discriminant classifier (LDC) is employed because of its prioritisation and generalisation abilities. The results show that the proposed combination of features classified with LDC outperforms all well‐known leaf classification methods.
Mitigating anomalous measurements for indoor wireless local area network positioning
Authors: Morales Jafet , Akopian David , Agaian Sos
Published: April 2016

Indoor positioning methods using location‐sensitive features of available wireless signals can achieve high accuracy. In particular, many state‐of‐the‐art methods exploit quite unique sets of location‐dependent received signal strength (RSS) measurements from multiple wireless local area network (WLAN) access points (APs), also called as wireless fingerprints. However, reception of signals from WLAN APs is not often stable, and RSS measurements tend to be unavailable due to WLAN card or AP transient effects, limited sensitivity of WLAN cards, and fluctuating attenuation and reflection of signals due to a multipath environment, structural changes and moving objects. In certain hostile scenarios, bogus APs may be installed to disorient WLAN localisation algorithms. In this study, two approaches are proposed to mitigate the impact of faulty signal strength measurements. Performance figures are provided for both simulated and empirical environments in order to support conclusions.
Cross‐media colour gamut mapping model for the preservation of visual differentials in layer‐tinted maps
Authors: Shen Xiaoying , Ye Cheng , Liu Zhen , Wu Guangyuan
Published: April 2016

Aiming at solving the colour union, variation and loss problems during cross‐media reproduction in the layer‐tinted map, this study proposes a colour gamut mapping model for the preservation of visual differentials in layer‐tinted maps. First, many layer‐tinted maps are collected for analysis and the colouring rules are concluded. Then, the dominant and non‐dominant colours are extracted based on the colour gamut characteristics of the maps. For the mapping of dominant colours, the corresponding Munsell's three colour dimensions are calculated by establishing the transformational relation between CIELAB colour space and Munsell's colour system and then the colour gamut mapping of dominant colours is achieved in the Munsell's colour order system. On the other hand, the mapping of non‐dominant colours is achieved by hue‐angle preserving minimum ΔE clipping. The experimental results indicate that compared with the four colour gamut mapping methods recommended by the International Color Consortium, the proposed algorithm in this study can more easily distinguish the hierarchical information in the maps and perfectly remain the visual differentials among the layered colours.
Échec de la mise en place de dents retenues et
incluses
Authors: Pignoly Marion , Monnet-Corti Virginie , Le Gall Michel
Published: April 2016

La mise en place d’une dent incluse ou retenue, que ce soit chez l’enfant ou l’adulte,
est un véritable défi pour le duo de praticiens que sont l’orthodontiste et le praticien
en charge de la chirurgie de dégagement. La canine maxillaire est la dent la plus souvent
incluse dans le secteur antérieur, avec une prévalence de 2 % dans la population générale.
On comprend donc le défi fonctionnel et esthétique de la thérapeutique
chirurgico-orthodontique dont l’objectif sera de mettre en place la dent incluse ou
retenue sur l’arcade. De nombreuses erreurs devront être évitées pour obtenir un résultat
satisfaisant, tant pour le patient que pour son praticien. C’est en faisant un diagnostic
précis de la localisation de la dent, grâce à des techniques d’imagerie modernes, que nous
pourrons réaliser un acte chirurgical respectueux de la dent concernée et des structures
anatomiques qui l’entourent. Les axes et les forces de tractions seront également pensés
et réfléchis afin de déplacer la dent jusqu’à sa position finale sur l’arcade dans des
conditions optimales. Le contexte parodontal sera optimisé et contrôlé à chaque étape de
la prise en charge. En effet, le but étant d’aller au devant de l’apparition des défauts
parodontaux, sachant qu’il est plus difficile de tenter leur réparation.
Langue et ventilation : échec et mat
Authors: Nicollas Richard
Published: April 2016

Depuis les travaux de l’école fonctionnaliste (Ricketts, Linder Aronson, Gola...), la
prise en compte des fonctions, et plus particulièrement de la ventilation en ODF semble
aujourd’hui généralisée. L’intrication ventilation/croissance/fonction
linguale/malocclusions n’est plus à démontrer. Cependant, si le diagnostic ORL d’un défaut
ventilatoire et de son étiologie est désormais classique, sa prise en charge ne suffit pas
toujours à assurer un environnement fonctionnel favorable à la stabilité orthodontique
malgré une rééducation associée. Parfois même, certains traitements chirurgicaux très
invasifs aggravent la situation initiale.
Comportement du parodonte au cours du nivellement des incisives
mandibulaires : précautions à prendre
Authors: Castelli Alicia , Le Gall Michel , Monnet-Corti Virginie
Published: April 2016

La position de l’incisive mandibulaire étant l’une des clés de la réussite de nos
traitements, la plupart des techniques orthodontiques focalisent leur attention sur son
contrôle mais ne prennent pas de précautions particulières sur l’environnement parodontal.
Peut-on se fier à la seule téléradiographie de profil pour évaluer des quantités d’os
aussi fines que celles en regard des incisives mandibulaires ? Qu’en est-il réellement du
niveau osseux avant traitement et surtout après alignement/nivellement et redressement de
l’incisive ? C’est à travers une étude prospective sur trois ans de 50 patients que nous
avons évalué le comportement du parodonte des incisives mandibulaires suite à une phase de
nivellement, par une approche clinique par sondage parodontal et radiologique par mesures
des épaisseurs osseuses sur cone beam. Une perte osseuse a été mise en évidence, non
négligeable au vu de la finesse de l’os au départ. Face à cette réalité clinique, nous
devons adapter notre thérapeutique en réalisant un bilan parodontal pré-orthodontique, en
complétant le diagnostic par des examens 3D pour les cas à risques et en contrôlant l’axe
incisif dans la phase de nivellement. L’avènement du cone beam devient un outil précieux
permettant l’individualisation du traitement orthodontique et la possibilité de visualiser
l’environnement osseux et la position des racines à la fin du traitement.
Épaisseur d’os alvéolaire dans la zone du point A : savoir éviter les échecs parodontaux en regard des incisives maxillaires
Authors: Chevalier Émilie , Philip-Alliez Camille , Le Gall Michel
Published: April 2016

Nombreuses sont les études sur les relations orthodontie/parodontie mais rares sont celles qui ont bénéficié de l’apport des nouvelles techniques d’imageries 3D et qui mettent en avant les effets iatrogènes que peut avoir l’orthodontie sur le parodonte. Les risques parodontaux en terme de fenestrations, de déhiscences osseuses en regard des incisives maxillaires sont réels pendant ou après un traitement orthodontique. D’ou l’importance d’évaluer précisément la situation initiale en terme de quantité d’os dans ce secteur esthétique d’arcade. Notre étude a eu pour objectif d’évaluer la fiabilité de la téléradiographie de profil conventionnelle pour quantifier l’épaisseur d’os alvéolaire en regard des incisives maxillaires en la comparant aux données issues du scanner. L’objectif second était de mettre en évidence un profil de patient dit « à risque » en évaluant les éventuelles corrélations entre cette épaisseur et des composantes de dysmorphie. Les résultats ont révélé une erreur d’évaluation de moitié quant à l’estimation de l’épaisseur d’os et un risque accru en cas d’hyperdivergence, de classe III et de proalvéolie. Enfin, compte tenu de ces résultats, nous avons abordé les conduites à tenir cliniquement pour éviter l’apparition de tels échecs parodontaux dans ce secteur d’arcade.
Dysmorphophobie
Authors: Racy Emmanuel
Published: April 2016

Le terme dysmorphophobie est un terme psychiatrique pour définir la crainte obsédante
d’être laid ou malformé. La chirurgie orthognathique peut entraîner une modification du
visage des patients opérés avec un degré variable, mais il est classique de noter que
certains patients ont du mal à s’habituer à cette modification, soit en rapport avec
l’image que leur renvoie le miroir, soit par les remarques de leurs proches. Parfois,
l’impact psychologique de cette transformation est beaucoup plus important que la
modification réelle, c’est pour ce type de souffrance psychologique inadaptée que
s’applique le terme de dysmorphophobie. C’est le devoir des praticiens (orthodontistes et
chirurgiens) de dépister les patients qui donnent, dès les premières consultations, des
signes de fragilité psychologique afin soit de les dissuader de choisir une chirurgie avec
un potentiel de transformation important, soit de les accompagner, aidé par un
professionnel (psychologue, psychothérapeute), vers une acceptation de ces
transformations.
Les échecs relatifs au plan de traitement
Authors: Lecocq Guillaume
Published: April 2016

Qui n’a jamais eu d’échec de traitement ? Qui n’a jamais regretté de s’être embarqué dans
un plan de traitement ? Et qui ne s’est jamais promis de ne pas tomber deux fois dans le
même piège ? Chacun d’entre nous bien sûr. Ce qui nous a permis de tomber dans d’autres
pièges après nous être relevé de nos échecs précédents. Tout d’abord, considérons-nous que
le succès est l’obtention d’une classe I molaire et canine bilatérale, une normalisation
du surplomb et du recouvrement, un centrage et une coïncidence des médianes incisives ?
Alors, tous les autres plans de traitement seraient-ils des échecs ? De manière plus
réaliste, il faut considérer comme échec du plan de traitement les situations où nous
n’avons pas su atteindre les objectifs que nous nous étions fixés au début du traitement
par manque de réalisme, par optimisme...
Silicene: Recent theoretical advances
Authors: Lew Yan Voon L. C. , Zhu Jiajie , Schwingenschlögl Udo
Published: April 2016

Silicene is a two-dimensional allotrope of silicon with a puckered hexagonal structure closely related to the structure of graphene and that has been predicted to be stable. To date, it has been successfully grown in solution (functionalized) and on substrates. The goal of this review is to provide a summary of recent theoretical advances in the properties of both free-standing silicene as well as in interaction with molecules and substrates, and of proposed device applications.
Structure and dynamics of water and lipid molecules in charged anionic DMPG lipid bilayer membranes
Authors: Rønnest A. K. , Peters G. H. , Hansen F. Y. , Taub H. , Miskowiec A.
Published: April 2016

Molecular dynamics simulations have been used to investigate the influence of the valency of counter-ions on the structure of freestanding bilayer membranes of the anionic 1,2-dimyristoyl-sn-glycero-3-phosphoglycerol (DMPG) lipid at 310 K and 1 atm. At this temperature, the membrane is in the fluid phase with a monovalent counter-ion and in the gel phase with a divalent counter-ion. The diffusion constant of water as a function of its depth in the membrane has been determined from mean-square-displacement calculations. Also, calculated incoherent quasielastic neutron scattering functions have been compared to experimental results and used to determine an average diffusion constant for all water molecules in the system. On extrapolating the diffusion constants inferred experimentally to a temperature of 310 K, reasonable agreement with the simulations is obtained. However, the experiments do not have the sensitivity to confirm the diffusion of a small component of water bound to the lipids as found in the simulations. In addition, the orientation of the dipole moment of the water molecules has been determined as a function of their depth in the membrane. Previous indirect estimates of the electrostatic potential within phospholipid membranes imply an enormous electric field of 108–109 V m−1, which is likely to have great significance in controlling the conformation of translocating membrane proteins and in the transfer of ions and molecules across the membrane. We have calculated the membrane potential for DMPG bilayers and found ∼1 V (∼2 ⋅ 108 V m−1) when in the fluid phase with a monovalent counter-ion and ∼1.4 V (∼2.8 ⋅ 108 V m−1) when in the gel phase with a divalent counter-ion. The number of water molecules for a fully hydrated DMPG membrane has been estimated to be 9.7 molecules per lipid in the gel phase and 17.5 molecules in the fluid phase, considerably smaller than inferred experimentally for 1,2-dimyristoyl-sn-glycero-3-phosphorylcholine (DMPC) membranes but comparable to the number inferred for 1,2-dilauroyl-sn-glycero-3-phosphoethanolamine (DLPE) membranes. Some of the properties of the DMPG membrane are compared with those of the neutral zwitterionic DMPC bilayer membrane at 303 K and 1 atm, which is the same reduced temperature with respect to the gel-to-fluid transition temperature as 310 K is for the DMPG bilayer membrane.
Towards a spectroscopically accurate set of potentials for heavy hydride laser cooling candidates: Effective core potential calculations of BaH
Authors: Moore Keith , McLaughlin Brendan M. , Lane Ian C.
Published: April 2016

BaH (and its isotopomers) is an attractive molecular candidate for laser cooling to ultracold temperatures and a potential precursor for the production of ultracold gases of hydrogen and deuterium. The theoretical challenge is to simulate the laser cooling cycle as reliably as possible and this paper addresses the generation of a highly accurate ab initio 2Σ+ potential for such studies. The performance of various basis sets within the multi-reference configuration-interaction (MRCI) approximation with the Davidson correction is tested and taken to the Complete Basis Set (CBS) limit. It is shown that the calculated molecular constants using a 46 electron effective core-potential and even-tempered augmented polarized core-valence basis sets (aug-pCVnZ-PP, n = 4 and 5) but only including three active electrons in the MRCI calculation are in excellent agreement with the available experimental values. The predicted dissociation energy De for the X2Σ+ state (extrapolated to the CBS limit) is 16 895.12 cm−1 (2.094 eV), which agrees within 0.1% of a revised experimental value of <16 910.6 cm−1, while the calculated re is within 0.03 pm of the experimental result.
Excited S-symmetry states of positronic lithium and beryllium
Authors: Strasburger Krzysztof
Published: April 2016

The possibility of the existence of excited S-symmetry states of positronic lithium and beryllium, resulting from the positron attachment to high-spin P parent atomic states, is examined and confirmed with variational calculations in the basis of explicitly correlated Gaussian functions. The unexpectedly different order of the energies of the S and P states is explained by the formation of the positronium cluster structure and associated disappearance of the destabilizing centrifugal force. The annihilation properties of newly discovered states are discussed in the context of prospective experimental detection.
Drift of charge carriers in crystalline organic semiconductors
Authors: Dong Jingjuan , Si Wei , Wu Chang-Qin
Published: April 2016

We investigate the direct-current response of crystalline organic semiconductors in the presence of finite external electric fields by the quantum-classical Ehrenfest dynamics complemented with instantaneous decoherence corrections (IDC). The IDC is carried out in the real-space representation with the energy-dependent reweighing factors to account for both intermolecular decoherence and energy relaxation by which conduction occurs. In this way, both the diffusion and drift motion of charge carriers are described in a unified framework. Based on an off-diagonal electron-phonon coupling model for pentacene, we find that the drift velocity initially increases with the electric field and then decreases at higher fields due to the Wannier-Stark localization, and a negative electric-field dependence of mobility is observed. The Einstein relation, which is a manifestation of the fluctuation-dissipation theorem, is found to be restored in electric fields up to ∼105 V/cm for a wide temperature region studied. Furthermore, we show that the incorporated decoherence and energy relaxation could explain the large discrepancy between the mobilities calculated by the Ehrenfest dynamics and the full quantum methods, which proves the effectiveness of our approach to take back these missing processes.
A versatile dual-species Zeeman slower for caesium and ytterbium
Authors: Hopkins S. A. , Butler K. , Guttridge A. , Kemp S. , Freytag R. , Hinds E. A. , Tarbutt M. R. , Cornish S. L.
Published: April 2016

We describe the design, construction, and operation of a versatile dual-species Zeeman slower for both Cs and Yb, which is easily adaptable for use with other alkali metals and alkaline earths. With the aid of analytic models and numerical simulation of decelerator action, we highlight several real-world problems affecting the performance of a slower and discuss effective solutions. To capture Yb into a magneto-optical trap (MOT), we use the broad 1S0 to 1P1 transition at 399 nm for the slower and the narrow 1S0 to 3P1 intercombination line at 556 nm for the MOT. The Cs MOT and slower both use the D2 line (62S1/2 to 62P3/2) at 852 nm. The slower can be switched between loading Yb or Cs in under 0.1 s. We demonstrate that within a few seconds the Zeeman slower loads more than 109 Yb atoms and 108 Cs atoms into their respective MOTs. These are ideal starting numbers for further experiments on ultracold mixtures and molecules.
Effect of lateral size and thickness on the electronic structure and optical properties of quasi two-dimensional CdSe and CdS nanoplatelets
Authors: Bose Sumanta , Song Zhigang , Fan W. J. , Zhang D. H.
Published: April 2016

The effect of lateral size and vertical thickness of CdSe and CdS nanoplatelets (NPLs) on their electronic structure and optical properties are investigated using an effective-mass envelope function theory based on the 8-band k ⋅ p model with valence force field considerations. Volumetrically larger NPLs have lower photon emission energy due to limited quantum confinement, but a greater transition matrix element (TME) due to larger electron-hole wavefunction overlap. The optical gain characteristics depend on several factors such as TME, Fermi factor, carrier density, NPL dimensions, material composition, and dephasing rate. There is a red shift in the peak position, more so with an increase in thickness than lateral size. For an increasing carrier density, the gain spectrum undergoes a slight blue shift due to band filling effect. For a fixed carrier density, the Fermi factor is higher for volumetrically larger NPLs and so is the difference between the quasi-Fermi level separation and the effective bandgap. The transparency injection carrier density (and thus input current density threshold) is dimension dependent and falls for volumetrically larger NPLs, as they can attain the requisite exciton count for transparency with a relatively lower density. Between CdSe and CdS, CdSe has lower emission energy due to smaller bandgap, but a higher TME due to lower effective mass. CdS, however, has a higher so hole contribution due to a lower spin-orbit splitting energy. Both CdSe and CdS NPLs are suitable candidates for short-wavelength LEDs and lasers in the visible spectrum, but CdSe is expected to exhibit better optical performance.
A unified relation for the solid-liquid interface free energy of pure FCC, BCC, and HCP metals
Authors: Wilson S. R. , Mendelev M. I.
Published: April 2016

We study correlations between the solid-liquid interface (SLI) free energy and bulk material properties (melting temperature, latent heat, and liquid structure) through the determination of SLI free energies for bcc and hcp metals from molecular dynamics (MD) simulation. Values obtained for the bcc metals in this study were compared to values predicted by the Turnbull, Laird, and Ewing relations on the basis of previously published MD simulation data. We found that of these three empirical relations, the Ewing relation better describes the MD simulation data. Moreover, whereas the original Ewing relation contains two constants for a particular crystal structure, we found that the first coefficient in the Ewing relation does not depend on crystal structure, taking a common value for all three phases, at least for the class of the systems described by embedded-atom method potentials (which are considered to provide a reasonable approximation for metals).
Coupled electrostatic and material surface stresses yield anomalous particle interactions and deformation
Authors: Kemp B. A. , Nikolayev I. , Sheppard C. J.
Published: April 2016

Like-charges repel, and opposite charges attract. This fundamental tenet is a result of Coulomb's law. However, the electrostatic interactions between dielectric particles remain topical due to observations of like-charged particle attraction and the self-assembly of colloidal systems. Here, we show, using both an approximate description and an exact solution of Maxwell's equations, that nonlinear charged particle forces result even for linear material systems and can be responsible for anomalous electrostatic interactions such as like-charged particle attraction and oppositely charged particle repulsion. Furthermore, these electrostatic interactions and the deformation of such particles have fundamental implications for our understanding of macroscopic electrodynamics.
Structure, ferroelectric ordering, and semiempirical quantum calculations of lanthanide based metal-organic framework: [Nd(C4H5O6)(C4H4O6)][3H2O]
Authors: Ahmad Bhat Zahoor , Want Basharat
Published: April 2016

We investigate the structure and ferroelectric behavior of a lanthanide based metal-organic framework (MOF), [Nd(C4H5O6)(C4H4O6)][3H2O]. X-ray crystal structure analyses reveal that it crystallizes in the P41212 space group with Nd centres, coordinated by nine oxygen atoms, forming a distorted capped square antiprismatic geometry. The molecules, bridged by tartrate ligands, form a 2D chiral structure. The 2D sheets are further linked into a 3D porous framework via strong hydrogen-bonding scheme (O-H…O ≈ 2.113 Å). Dielectric studies reveal two anomalies at 295 K and 185 K. The former is a paraelectric-ferroelectric transition, and the later is attributed to the freezing down of the motion of the hydroxyl groups. The phase transition is of second order, and the spontaneous polarization in low temperature phase is attributed to the ordering of protons of hydroxyl groups. The dielectric nonlinearity parameters have been calculated using Landau– Devonshire phenomenological theory. In addition, the most recent semiempirical models, Sparkle/PM7, Sparkle/RM1, and Sparkle/AM1, are tested on the present system to assay the accuracy of semiempirical quantum approaches to predict the geometries of solid MOFs. Our results show that Sparkle/PM7 model is the most accurate to predict the unit cell structure and coordination polyhedron geometry. The semiempirical methods are also used to calculate different ground state molecular properties.
Reducing the capacitance of piezoelectric film sensors
Authors: González Martín G. , Sorichetti Patricio A. , Santiago Guillermo D.
Published: April 2016

We present a novel design for large area, wideband, polymer piezoelectric sensor with low capacitance. The large area allows better spatial resolution in applications such as photoacoustic tomography and the reduced capacitance eases the design of fast transimpedance amplifiers. The metalized piezoelectric polymer thin film is segmented into N sections, electrically connected in series. In this way, the total capacitance is reduced by a factor 1/N2, whereas the mechanical response and the active area of the sensor are not modified. We show the construction details for a two-section sensor, together with the impedance spectroscopy and impulse response experimental results that validate the design.
Cooperative protein structural dynamics of homodimeric hemoglobin linked to water cluster at subunit interface revealed by time-resolved X-ray solution scattering
Authors: Kim Jong Goo , Muniyappan Srinivasan , Oang Key Young , Kim Tae Wu , Yang Cheolhee , Kim Kyung Hwan , Kim Jeongho , Ihee Hyotcherl
Published: April 2016

Homodimeric hemoglobin (HbI) consisting of two subunits is a good model system for investigating the allosteric structural transition as it exhibits cooperativity in ligand binding. In this work, as an effort to extend our previous study on wild-type and F97Y mutant HbI, we investigate structural dynamics of a mutant HbI in solution to examine the role of well-organized interfacial water cluster, which has been known to mediate intersubunit communication in HbI. In the T72V mutant of HbI, the interfacial water cluster in the T state is perturbed due to the lack of Thr72, resulting in two less interfacial water molecules than in wild-type HbI. By performing picosecond time-resolved X-ray solution scattering experiment and kinetic analysis on the T72V mutant, we identify three structurally distinct intermediates (I1, I2, and I3) and show that the kinetics of the T72V mutant are well described by the same kinetic model used for wild-type and F97Y HbI, which involves biphasic kinetics, geminate recombination, and bimolecular CO recombination. The optimized kinetic model shows that the R-T transition and bimolecular CO recombination are faster in the T72V mutant than in the wild type. From structural analysis using species-associated difference scattering curves for the intermediates, we find that the T-like deoxy I3 intermediate in solution has a different structure from deoxy HbI in crystal. In addition, we extract detailed structural parameters of the intermediates such as E-F distance, intersubunit rotation angle, and heme-heme distance. By comparing the structures of protein intermediates in wild-type HbI and the T72V mutant, we reveal how the perturbation in the interfacial water cluster affects the kinetics and structures of reaction intermediates of HbI.