bluuebunny/crossref_metadata_2025_split huggingface dataset:
Probing Absolute Electronic Energy Levels in Hg‐Doped CdTe Semiconductor Nanocrystals by Electrochemistry and Density Functional Theory
Authors: Ingole Pravin P. , Lesnyak Vladimir , Tatikondewar Laxman , Leubner Susanne , Gaponik Nikolai , Kshirsagar Anjali , Eychmüller Alexander 
Published: November 2015

AbstractThe absolute electronic energy levels in Hg‐doped CdTe semiconductor nanocrystals (CdHgTe NCs) with varying sizes/volumes and Hg contents are determined by using cyclic voltammetry (CV) measurements and density functional theory (DFT) ‐based calculations. The electrochemical measurements demonstrate several distinct characteristic features in the form of oxidation and reduction peaks in the voltammograms, where the peak positions are dependent on the volume of CdHgTe NCs as well as on their composition. The estimated absolute electronic energy levels for three different volumes, namely 22, 119 and 187 nm3 with 2.7±0.3 % of Hg content, show strong volume dependence. The volume‐dependent shift in the characteristic reduction and oxidation peak potential scan can be attributed to the alteration in the energetic band positions owing to the quantum confinement effect. Moreover, the composition (Cd/Hg=98.3/1.7 and 97.0/3.0) ‐dependent alteration in the electronic energy levels of CdHgTe NCs for two different samples with similar volumes (ca. 124±5 nm3) are shown. Thus obtained electronic energy level values of CdHgTe NCs as a function of volume and composition demonstrate good congruence with the corresponding absorption and emission spectral data, as well as with DFT‐based calculations. DFT calculations reveal that incorporation of Hg into CdTe NCs mostly affects the energy levels of conduction band edge, whereas the valence band edge remains almost unaltered.
Ring‐Opening of Pyridines with Acyl­acetylenes and Water: Straightforward Access to 5‐[(Z)‐Acylethenyl]amino‐2,4‐pentadienals
Authors: Trofimov Boris A. , Andriyankova Ludmila V. , Belyaeva Kseniya V. , Nikitina Lina P. , Afonin Andrei V. , Mal'kina Anastasiya G. 
Published: November 2015

AbstractPyridines undergo exceptionally facile ring opening under the action of acylacetylenes (e.g., benzoylphenylacetylene, furoylphenylacetylene, and thenoylphenylacetylene) and water (r.t., with or without KOH) to afford 5‐[(Z)‐acylethenyl]amino‐2,4‐pentadienals in 84–92 % yield. The reaction is stereoselective: only the Z configuration for ethenyl substituents and preferentially (85–95 %) the E,E configuration for the 2,4‐pentadienal moiety were observed (the second configuration being E,Z). In the cases of 3‐methylpyridine and benzoylphenylacetylene, two regioisomers, namely, the corresponding 2‐methyl‐ and 4‐methylaminopentadienals, were formed in a 7:3 ratio.
Radiation‐induced temporo‐mandibular joint disorder in post‐radiotherapy nasopharyngeal carcinoma patients: assessment and treatment
Authors: Wu Vincent W. C. , Lam Ying‐Na 
Published: November 2015

AbstractNasopharyngeal carcinoma (NPC) is endemic in southern China, and its incidence in Hong Kong is relatively high. Radiotherapy is the mainstay treatment for NPC due to its relatively high radiosensitivity and deep‐seated anatomical position, which is not readily accessible by surgery. Although the technique of radiotherapy in NPC has been advancing and offers promising treatment outcome, complications around the irradiation areas are inevitable and the quality of life of the post‐radiotherapy patients is often compromised. Trismus, which is defined as the restricted mouth opening or jaw movement due to the disorder of temporo‐mandibular joint (TMJ), is one of the possible late complications for radiotherapy of NPC and is found in 5–17% of the post‐radiotherapy (post‐RT) patients. Trismus at early stage may only affect the speech, but in severe cases nutritional intake and oral hygiene condition may deteriorate seriously. This article reviewed the possible causes of radiation‐induced TMJ damage, the various assessments including imaging modalities and possible treatments. The conclusion is that the availability of simple, yet effective examinations for trismus is essential for delaying the progression and restoring TMJ functions. Although there is no absolutely effective treatment for trismus, many supportive, restorative and palliative management are possible under different clinical situations.
Influence of milk protein cross‐linking by transglutaminase on the rennet coagulation time and the gel properties
Authors: Domagała Jacek , Najgebauer‐Lejko Dorota , Wieteska‐Śliwa Ilona , Sady Marek , Wszołek Monika , Bonczar Genowefa , Filipczak‐Fiutak Magda 
Published: November 2015

AbstractBACKGROUNDTransglutaminase (TGase) modifies milk proteins by cross‐linking of caseins, with increased cheese yield being the main technological benefit. In the present work the influence of TGase addition in different concentrations (0, 1, 2 and 3 U g−1 protein in the system) and under different incubation conditions (0 h, 40 °C/2 h, 25 °C/4 h and 5 °C/16 h) on the rennet coagulation time (RCT) and the comprehensive rennet gel properties were investigated.RESULTSModification of milk proteins by TGase in a concentration‐dependent manner caused longer RCT and lower gel firmness. The highest TGase concentration and incubation at 40 °C for 2 h resulted in the longest RCT and the lowest gel firmness. Rennet gels obtained from TGase modified milk were characterised by significantly lower values of texture parameters, lower syneresis and were composed of smaller casein micelles, thinner chains and smaller clusters than those obtained from the control milk. The content of whey proteins in the gel from modified milk was higher and the content of individual casein fractions in the milk samples and rennet gels decreased upon TGase modification.CONCLUSIONRennet cheese with modified textural and nutritional properties and improved yield can be obtained upon TGase modification but simultaneous addition of rennet and TGase is recommended. © 2015 Society of Chemical Industry
An automated monitoring and control system for flow‐through co‐cycling hypoxia and pH experiments
Authors: Burrell Rebecca B. , Keppel Andrew G. , Clark Virginia M. , Breitburg Denise L. 
Published: November 2015

AbstractAcidification research has exploded in recent years, however, experiments testing effects of co‐cycling hypoxia and pH on ecological and physiological processes are rare, despite the pervasiveness and potential importance of co‐varying fluctuations in these parameters. Co‐cycling dissolved oxygen (DO) and pH are difficult to precisely control, as gases used for manipulation influence both parameters. We successfully developed a LabVIEW™‐based system capable of monitoring and controlling co‐varying DO and pH in raw seawater flow‐through aquaria. Using feedback from Oxyguard DO probes and Honeywell ion sensitive field effect transistor Durafet pH sensors, our system controls ratios of nitrogen, oxygen, carbon dioxide, atmospheric air, and CO2‐stripped air within a total gas flow rate through mass flow controllers, to achieve target co‐cycling DO and pH values in five treatments. Our system performed well in two long‐term experiments investigating effects of diel‐cycling hypoxia and pH on eastern oyster (Crassostrea virginica) feeding, growth, fecundity, Perkinsus sp. (Dermo) infection dynamics and immune response. In our 2013 adult oyster experiment, the severe low DO treatment averaged only 0.04 mg L−1 higher than the 0.50 mg L−1 target, and the moderate hypoxia averaged only 0.05 mg L−1 higher than the 1.30 mg L−1 target over 48 d of cycles. Mean pH for the hypercapnia plateau was within 0.02 above the 7.00 target. In our 2013 spat experiment, daily minimum DO in the severe and moderate hypoxia treatments were both within 0.06 mg L−1 of the 0.50 and 1.3 mg L−1 targets, respectively; hypercapnia plateau pH values were within 0.01 of our 7.00 target.
Laser cellulite treatment and laser‐assisted lipoplasty of the thighs and buttocks: Combined modalities for single stage contouring of the lower body
Authors: Petti Christine , Stoneburner Jacqueline , McLaughlin Laura 
Published: November 2015

Background and ObjectivesCellulite and lipodystrophy are often found together, especially in areas of the buttocks and thighs, causing skin surface irregularities. Each of these conditions is currently treated independently as two separate surgical procedures. In our practice, we developed a novel combined approach for the simultaneous treatment of cellulite and lipodystrophy, as a single stage procedure in the same anatomic area. For the treatment of cellulite, we used the Nd:YAG laser at a wavelength of 1,440‐nm, along with an innovative 1,000‐micron directional side‐firing fiber optic laser system. For the treatment of lipodystrophy, the Nd:YAG laser with a 1,440 nm wavelength, along with a fiber optic laser system was used. The objective of this study is to determine the efficacy and safety of a combined approach for the simultaneous treatment of cellulite and lipodystrophy.Study Design, Patients and MethodsIn 2012, 16 subjects with noticeable cellulite, Grade II and Grade III, accompanied by mild‐to‐moderate lipodystrophy of the lower body received single treatments of the Nd:YAG laser at a wavelength of 1,440‐nm along with the 1,000‐micron side‐firing fiber optic laser system for simultaneous treatments of both cellulite and lipodystrophy. Patients were assessed at baseline and 3–6 months post‐treatment by a modified Nurnberger–Muller scale utilized to quantify the cellulite severity. Additionally, patient satisfaction and a global aesthetic improvement scale were used to measure the improvement in lipodystrophy.ResultsBlinded reviewers identified the correct baseline photographs 97% of the time when presented with a set of photographs. The median modified Nurnberger–Muller scale score at baseline was 4.75 ± 1.2 and the average improvement was 2.0 ± 1.2. Global aesthetic improvement scores ranged from 1 to 3 with an average of 1.58 indicating a much‐improved overall appearance. Satisfaction was high for both physicians and patients with scores corresponding to extremely satisfied/satisfied.ConclusionPrecise, effective delivery of laser energy to the dermal‐adipose tissue, as well as the deep adipose lipodystrophy is feasible as a safe modality for the simultaneous treatment of cellulite and lipodystrophy in the buttocks and thighs, as a single stage procedure. Lasers Surg. Med. 48:14–22, 2016. © 2015 Wiley Periodicals, Inc.
Polydiacetylene Nanotubes in Heterogeneous Catalysis: Application to the Gold‐Mediated Oxidation of Silanes
Authors: Villemin Elise , Gravel Edmond , Jawale Dhanaji V. , Prakash Praveen , Namboothiri Irishi N. N. , Doris Eric 
Published: November 2015

A layer‐by‐layer approach is used to anchor small gold nanoparticles onto organic nanotubes resulting from the self‐assembly and polymerization of diacetylene‐containing nitrilotriacetic amphiphiles. The obtained nanotube–gold hybrid is used as a catalyst for the aerobic oxidation of various silanes. With minimal gold loading (0.05 mol%), all substrates are converted into the corresponding silanols with hydrogen gas as the only by‐product. The catalyst operates under mild conditions and can be easily recycled, losing neither activity nor selectivity.
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A complete TSDC description of molecular mobilities in polylactide/starch blends from local to normal modes: Effect of composition, moisture, and crystallinity
Authors: Laredo Estrella , Newman Dinorah , Pezzoli Romina , Müller Alejandro J. , Bello Alfredo 
Published: November 2015

ABSTRACTThermally stimulated depolarization current is applied to study the dielectric relaxations coexisting from 80 to 380 K in the PLLA/starch, immiscible biodegradable blend system. The relaxation parameters are determined for chain mobilities at different ranges, whether in the amorphous or cold‐crystallized state for PLLA, and totally amorphous one for starch as demonstrated by wide‐angle X‐ray scattering experiments. The PLLA crystallization is favored by the presence of starch, in both the crystallinity degree reached and the crystallization time. The effect of moisture is followed for both the local modes and the segmental mobilities, where a bimodal relaxation for starch sweeps the temperature range, thus evidencing the heterogeneities existing in the starch disordered phase. The moisture plasticization effect is estimated and shows differences in the water absorption in starch either neat or as a minority component. The onset of the segmental mobility in PLLA is independent of composition or crystallinity, but the large intensity decrease observed when PLLA cold‐crystallizes evidences the simultaneous formation of a rigid amorphous fraction and the crystallites. The normal relaxation mode is recorded in amorphous PLLA whether neat or blended, which again demonstrates the absence of interactions among the blend components. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2016, 54, 680–691
Gas phase silanization for silicon nanowire sensors and other lab‐on‐a‐chip systems
Authors: Steinbach Annina M. , Sandner Tanja , Mizaikoff Boris , Strehle Steffen 
Published: November 2015

AbstractDesigning a microfabrication process for lab‐on‐a‐chip systems can at times be challenging, and the need to integrate a chemical surface modification reaction into this process can limit the options. Therefore, a robust set‐up and protocol for the gas phase modification has been developed that can be variably integrated into microfabrication processes. The main improvement compared to similar methods is, besides easy and versatile sample handling, the integration of a continuous argon flow percolating through the liquid organosilane, and impinging directly the surface tobe modified. This measure reduces the argon consumption drastically compared to current reaction schemes, while keeping short reaction periods.Silicon substrates were modified using 3‐mercaptopropyltrimethoxysilane (MPTMS) and 3‐aminopropyltrimethoxysilane (APTMS), thoroughly studied for different reaction stages, and compared to surfaces modified via a common solvent‐based procedure from isopropanolic solution. Water contact angle measurements, infrared spectroscopy, X‐ray photoelectron spectroscopy, and atomic force microscopy verified the successful deposition of the alkylsilane. Additionally, silicon nanowires were assembled, exemplary for a lab‐on‐a‐chip system, in a liquid gate field‐effect‐transistor configuration, and electrically characterized. The devices showed the expected response to applied liquid gate potentials before and after the modification and exhibited characteristic changes in the transconductance curve. (© 2016 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
An energy‐conserving restoration scheme for the shallow‐water equations
Authors: Kent James , Jablonowski Christiane , Thuburn John , Wood Nigel 
Published: November 2015

The numerical methods that solve the governing equations in an atmospheric dynamical core are designed to dissipate potential enstrophy and prevent the build‐up of kinetic energy at the grid scale. A side‐effect of this is the dissipation of total energy which should be conserved. Energy fixers are used in climate models to replace the dissipated energy by modifying the temperature in the thermodynamic equation, and stochastic backscatter schemes have also been developed for use in weather prediction models. Here, we present the first steps towards designing a deterministic energy‐conserving restoration scheme that considers the conversion of kinetic energy to heat, replacing kinetic energy lost due to model error, and the backscatter of kinetic energy.The energy‐conserving restoration scheme (ECRS) is presented in the context of the shallow‐water equations on the sphere. It is designed to be used with any existing shallow‐water equation scheme (called the preliminary scheme) which can adequately dissipate potential enstrophy, and in this article we use a semi‐implicit semi‐Lagrangian (SISL) scheme. For each prognostic variable, a spatial pattern is chosen; this is added to the preliminary scheme solution, and the amount added is calculated to ensure energy conservation. Results from short‐term test cases show that ECRS and SISL have very similar error norms. For long‐term simulations, ECRS conserves energy to a good approximation whereas SISL dissipates energy.
Improvement of a stochastic backscatter model and application to large‐eddy simulation of street canyon flow
Authors: O'Neill J. J. , Cai X.‐M. , Kinnersley R. 
Published: November 2015

A stochastic backscatter (SB) subgrid‐scale (SGS) model is applied, for the first time, to large‐eddy simulation (LES) of street canyon flow. We model a ‘skimming flow’ regime under a neutrally stratified atmosphere, in which the approaching wind is perpendicular to the along‐street axis of a street canyon of unity aspect ratio. Previous LESs of this type have shown an under‐prediction of the intensity of the primary eddy (PE) that forms within the street canyon, indicating a lack of momentum transfer across the roof‐level shear layer. The SB model, however, acts to increase this momentum transfer, bringing the simulated PE intensity significantly closer towards that observed in a corresponding wind‐tunnel experiment. A metric for the PE intensity, ωPE, based on the two‐dimensional vorticity field, is increased from around 70% of the wind‐tunnel ωPE value (with the Smagorinsky SGS model) to as much as 90% (with the SB model). Calculation of the air exchange rate at roof‐level confirms that the rate of entrainment into the street canyon is increased with the inclusion of backscatter.We also outline an improvement to the SB model prior to its application. In its previous version, a constraint on the magnitude of the backscatter acceleration variances ensured a theoretically appropriate level of additional grid‐scale (backscattered) energy. Here, a further constraint on the magnitude of the main covariance term also facilitates a better representation of grid‐scale vertical momentum flux. This new constraint alone can help to increase the simulated ωPE value by as much as 10% of the wind‐tunnel ωPE value, and requires almost no additional computational effort. The effect of varying the magnitude and length‐scale of the imposed backscatter (via the backscatter coefficient and length of the filter used to generate the backscatter acceleration fields, respectively) is also investigated.
Software processes for a changing world
Authors: Ryan Kevin T. 
Published: November 2015

AbstractThree key drivers of change in the world of software are identified, and their impact on a range of software engineering research is assessed. The rise of agile approaches to software development adds further pressure for software process research to develop and evolve processes that are supportive of change while meeting the most stringent needs of society. Two examples of successful process evolution, aimed at highly regulated industries, are outlined as pointers to the future direction of Software Process Research. Copyright © 2015 John Wiley & Sons, Ltd.
Genetic profiling of tumours using both circulating free DNA and circulating tumour cells isolated from the same preserved whole blood sample
Authors: Rothwell Dominic G. , Smith Nigel , Morris Daniel , Leong Hui Sun , Li Yaoyong , Hollebecque Antoine , Ayub Mahmood , Carter Louise , Antonello Jenny , Franklin Lynsey , Miller Crispin , Blackhall Fiona , Dive Caroline , Brady Ged 
Published: November 2015

Molecular information obtained from cancer patients' blood is an emerging and powerful research tool with immense potential as a companion diagnostic for patient stratification and monitoring. Blood, which can be sampled routinely, provides a means of inferring the current genetic status of patients' tumours via analysis of circulating tumour cells (CTCs) or circulating tumour DNA (ctDNA). However, accurate assessment of both CTCs and ctDNA requires all blood cells to be maintained intact until samples are processed. This dictates for ctDNA analysis EDTA blood samples must be processed with 4 h of draw, severely limiting the use of ctDNA in multi‐site trials. Here we describe a blood collection protocol that is amenable for analysis of both CTCs and ctDNA up to four days after blood collection. We demonstrate that yields of circulating free DNA (cfDNA) obtained from whole blood CellSave samples are equivalent to those obtained from conventional EDTA plasma processed within 4 h of blood draw. Targeted and genome‐wide NGS revealed comparable DNA quality and resultant sequence information from cfDNA within CellSave and EDTA samples. We also demonstrate that CTCs and ctDNA can be isolated from the same patient blood sample, and give the same patterns of CNA enabling direct analysis of the genetic status of patients' tumours.In summary, our results demonstrate the utility of a simple approach that enabling robust molecular analysis of CTCs and cfDNA for genotype‐directed therapies in multi‐site clinical trials and represent a significant methodological improvement for clinical benefit.
How Partners Experience Personality Change After Traumatic Brain Injury – Its Impact on Their Emotions and their Relationship
Authors: Bodley-Scott Sarah E. M. , Riley Gerard A. 
Published: November 2015

Objective: The aim of this qualitative study was to explore how spouses/partners experience social, emotional and behavioural changes in persons following traumatic brain injury (TBI), with a particular focus on their emotional impact and the effect on the couple relationship.Method: Interpretative phenomenological analysis (IPA) of interview data explored five women's experiences of these changes in their partners following TBI.Results: Themes describe the direct emotional impact of living with the changes as well as the emotional impact of attempts to manage and make sense of the changes (identity change, managing the changes and making sense of the changes). The impact on the couple relationship is described under the themes of feeling love and receiving love. Changes led three of the participants to experience their partner as having been replaced by a new person; they actively disliked this new person; they felt unable to love the new person in the same way as the old person; and their love was defined in terms of a caring relationship, rather than a spousal relationship.Conclusions: The study provides insight into why social, emotional and behavioural changes might be so consistently associated with reduced emotional wellbeing and lower levels of relationship quality and satisfaction.