bluuebunny/crossref_metadata_2025 huggingface dataset:
Hydrothermal Synthesis of Stable 1T‐WS2 and Single‐Walled Carbon Nanotube Hybrid Flexible Thin Films with Enhanced Thermoelectric Performance
Authors: Piao Mingxing , Li Chaolong , Joo Min‐Kyu , Chu Jin , Wang Xiao , Chi Yao , Zhang Heng , Shi Haofei
Published: February 2018

Two‐dimensional stable metallic 1T phase of transitional metal dichalcogenide (TMDC) nanosheets have attracted attention as promising, flexible, thermoelectric (TE) materials. Here, 1T phase tungsten disulfide/single walled carbon nanotube (1T‐WS2/SWCNT) hybrid composites with excellent TE performance are prepared using a hydrothermal method, and they are demonstrated to have a unique 3D architecture interweaving between the SWCNT bundles and WS2 nanosheets. Flexible thin films are fabricated using a facile vacuum filtration technique. Under the optimal conditions, the maximum electrical conductivity reached 318 S cm−1 with a Seebeck coefficient of 43.2 μV K−1 at room temperature, leading to an impressive power factor of 61.70 μW m−1 K−2. The introduction of SWCNTs into 1T‐WS2 may significantly improve the TE performance by simultaneously enhancing the electrical conductivity and Seebeck coefficient due to the synergistic effect of the conductive paths and interfacial interaction. Furthermore, the TE properties were stable for at least half one year in the ambient environment because of the high stability of 1T‐WS2 synthesized through hydrothermal method. This novel strategy demonstrates an effective way to optimize the TE performance of metallic 1T phase TMDCs and a variety of TMDC‐based hybrid composites have great potential for future TE applications.
Simulation of orthogonal horizontal components of near‐fault ground motion for specified earthquake source and site characteristics
Authors: Dabaghi Mayssa , Der Kiureghian Armen
Published: February 2018

A procedure to generate horizontal pairs of synthetic near‐fault ground motion components for specified earthquake source and site characteristics is presented. Some near‐fault ground motions contain a forward directivity pulse; others do not, even when the conditions for such a pulse are favorable. The proposed procedure generates pulse‐like and non‐pulse‐like motions in appropriate proportions. We use our recent stochastic models of pulse‐like and non‐pulse‐like near‐fault ground motions that are formulated in terms of physically meaningful parameters. The parameters of these models are fitted to databases of recorded pulse‐like and non‐pulse‐like motions. Using these empirical “observations,” predictive relations are developed for the model parameters in terms of the earthquake source and site characteristics (type of faulting, earthquake magnitude, depth to top of rupture plane, source‐to‐site distance, site characteristics, and directivity parameters). The correlation coefficients between the model parameters are also estimated. For a given earthquake scenario, the probability of occurrence of a directivity pulse is first computed; pulse‐like and non‐pulse‐like motions are then simulated according to the predicted proportions using the empirical predictive models. The resulting time series are realistic and reproduce important features of recorded near‐fault ground motions, including the natural variability. Moreover, the statistics of their elastic response spectra agree with those of the NGA‐West2 dataset, with the additional feature of distinguishing between pulse‐like and non‐pulse‐like cases and between forward and backward directivity scenarios. The synthetic motions can be used in addition to or in place of recorded motions in performance‐based earthquake engineering, particularly when recorded motions are scarce.
Electrical and thermal analysis of an intermediate temperature IIR‐SOFC system fed by biogas
Authors: De Lorenzo Giuseppe , Fragiacomo Petronilla
Published: February 2018

An Intermediate Temperature Solid Oxide Fuel Cells (IT‐SOFC) system fed by not conventional fuels such as biogas can produce electric energy with high conversion efficiency and thermal energy. Inside the energy system, the methane in the biogas is mixed with steam, and then it is converted into carbon monoxide, hydrogen and carbon dioxide through steam reforming and water gas shift chemical reactions in an indirect internal reformer (IIR) mostly and in the SOFC anode minimally. The chemical energy of the electro‐oxidation of hydrogen and carbon monoxide produced is directly converted into electric energy in the fuel cell anode. A part of the anode exhaust gas can be recirculated at the IIR inlet and the percentage of this recirculated anode exhaust gas together to the fuel utilization factor influence the performances (electric and thermal powers and efficiencies, primary energy saving and first law efficiency) of the SOFC system in a cogenerative arrangement. Through the simulation model of an IT‐SOFC system fed by biogas in cogenerative arrangement, which was formulated ad hoc and implemented in a Matlab environment, the influence of the above‐mentioned variables on the IT‐SOFC system performances was evaluated. The verification of carbon formation at the anode was made.
Postoperative chemoradiotherapy in patients with head and neck cancer aged 70 or older with positive margins or extranodal extension and the influence of nodal classification
Authors: Yoshida Emi J. , Luu Michael , David John M. , Kim Sungjin , Mita Alain , Scher Kevin , Shiao Stephen L. , Tighiouart Mourad , Ho Allen S. , Zumsteg Zachary S.
Published: February 2018

Background

Postoperative concomitant chemoradiotherapy (CRT) improves outcomes for younger adults with head and neck squamous cell carcinoma (HNSCC) and positive margins or extranodal extension (ENE), but its benefit for older adults is not well established.

Methods

Patients from the National Cancer Data Base (NCDB) with HNSCC undergoing curative‐intent resection, neck dissection, and postoperative radiation with positive margins or ENE were identified.

Results

This analysis included 1199 patients aged ≥ 70 years with median follow‐up of 42.6 months. Postoperative concurrent CRT was associated with improved overall survival (OS; hazard ratio [HR] 0.752; 95% confidence interval [CI] 0.638‐0.886) compared to radiation alone in multivariable analysis. Three‐year OS was 52.4% with CRT versus 43.4% with radiation (P = .012) in propensity‐score matched cohorts. The survival impact of CRT varied by N classification (P = .002 for interaction), with benefit seen only in those with N2 to N3 disease.

Conclusion

Postoperative concurrent CRT may benefit older patients with HNSCC with positive margins or ENE, particularly those with higher nodal burden.
The effect of handover location on trauma theatre start time: An estimated cost saving of £131 000 per year
Authors: Nahas Sam , Ali Adam , Majid Kiran , Joseph Roshan , Huber Chris , Babu Victor
Published: February 2018

Background

The National Health Service was estimated to be in £2.45 billion deficit in 2015 to 2016. Trauma theatre utilization and efficiency has never been so important as it is estimated to cost £15/minute.

Methods

Structured questionnaires were given to 23 members of staff at our Trust who are actively involved in the organization or delivery of orthopaedic trauma lists at least once per week. This was used to identify key factors that may improve theatre efficiency. Following focus group evaluation, the location of the preoperative theatre meeting was changed, with all staff involved being required to attend this. Our primary outcome measure was mean theatre start time (time of arrival in the anaesthetic room) during the 1 month immediately preceding the change and the month following the change.

Results

Theatre start time was improved on average 24 minutes (1 month premeeting and postmeeting change). This equates to a saving of £360 per day, or £131 040 per year.

Conclusion

Changing the trauma meeting location to a venue adjacent to the trauma theatre can improve theatre start times, theatre efficiency, and therefore result in significant cost savings.
Alcohol mixed with energy drink (AMED): A critical review and meta‐analysis
Authors: Verster Joris C. , Benson Sarah , Johnson Sean J. , Alford Chris , Godefroy Samuel Benrejeb , Scholey Andrew
Published: February 2018

The purpose of this systematic review and meta‐analysis was to critically review the (1) prevalence of alcohol mixed with energy drink (AMED) consumption, (2) motives for AMED consumption, (3) correlates of AMED consumption, and (4) whether AMED consumption has an impact on (a) alcohol consumption, (b) subjective intoxication, and (c) risk‐taking behavior.

Overall a minority of the population consumes AMED, typically infrequently. Motives for AMED consumption are predominantly hedonistic and social. Meta‐analyses revealed that AMED consumers drink significantly more alcohol than alcohol‐only (AO) consumers. Within‐subject comparisons restricted to AMED consumers revealed that alcohol consumption does not significantly differ between typical AMED and AO occasions. On past month heaviest drinking occasions, AMED users consume significantly less alcohol on AMED occasions when compared to AO occasions. AMED consumers experience significantly fewer negative consequences and risk‐taking behavior on AMED occasions compared with AO occasions. Meta‐analyses of subjective intoxication studies suggest that AMED consumption does not differentially affect subjective intoxication when compared to AO consumption. In conclusion, when compared to AO consumption, mixing alcohol with energy drink does not affect subjective intoxication and seems unlikely to increase total alcohol consumption, associated risk‐taking behavior, nor other negative alcohol‐related consequences. Further research may be necessary to fully reveal the effects of AMED.
Family stress predicts poorer dietary quality in children: Examining the role of the parent–child relationship
Authors: Webb Haley J. , Zimmer‐Gembeck Melanie J. , Scuffham Paul A. , Scott Rani , Barber Bonnie
Published: February 2018

The present prospective study investigated a comprehensive model of family stress to explain changes in young children's diet quality from age 3 to 5 years. The direct associations of family stress with child diet quality were examined, as well as the indirect associations via features of the parent–child relationship, including inconsistent parenting practices, negative parent–child interactions, and poor emotional bond. Using an Australian sample of 579 mother–child dyads (child Mage = 3.05 years; 45% boys), higher levels of family stress were predictive of less adequate child dietary quality (i.e., lower fruit and vegetable intake) over time with the effect on fruit intake occurring indirectly via impaired parent–child relationship quality. Notably, it was the relatively less well‐studied indicators of family stress (maternal physical and psychological health difficulties) that were consistently associated concurrently and prospectively with poorer child diet quality. These results provide support for an ongoing broader focus on the family context in which children and parents are embedded, including their exposure to stress, as well as the continued focus on parent–child relationship factors, such as inconsistent parenting practices and negative parent–child interactions, as specific and modifiable predictors of children's diet quality over time.

Highlights

A comprehensive model of family stress was examined to explain changes in young children's dietary intake from age 3‐5 years.

Family stress was predictive of less adequate child dietary intake, with one effect occurring indirectly via impaired parent‐child relationship quality.

Results support a broader focus on the family context, including stress exposure, as well as on specific parent‐child relationship factors.
Inside Front Cover: Enhanced volumetric imaging in 2‐photon microscopy via acoustic lens beam shaping (J. Biophotonics 2/2018)
Authors: Piazza Simonluca , Bianchini Paolo , Sheppard Colin , Diaspro Alberto , Duocastella Martí
Published: February 2018

Two‐photon microscopy is the tool of choice for fluorescence imaging of deep tissues with high resolution, but can be limited in three‐dimensional acquisition speed and penetration depth. In this work, these issues are addressed by using an acoustic optofluidic lens capable of ultrafast beam shaping on a pixel basis. Driving the lens with different phase profiles enables high‐speed volumetric imaging, or enhanced signal‐to‐background for deeper penetration.

Further details can be found in the article by Simonluca Piazza et al. (e201700050)

image
HER2 Ile655Val polymorphism is negatively associated with breast cancer susceptibility
Authors: de Almeida Felipe Campos , Banin Hirata Bruna Karina , Ariza Carolina Batista , Losi Guembarovski Roberta , de Oliveira Karen Brajão , Suzuki Karen Mayumi , Guembarovski Alda Losi , Oda Julie Massayo Maeda , Vitiello Glauco Akelinghton Freire , Watanabe Maria Angelica Ehara
Published: February 2018

Background

The HER2 (human epidermal growth factor receptor‐2) Ile655Val (rs1136201) genetic polymorphism can alter the receptor structure and its auto‐activation, which can modify the signal transduction and, consequently, the cell cycle regulation. For this reason, this polymorphism has been extensively investigated as a candidate marker for breast cancer (BC). In this context, the aim of this study was to evaluate the possible influence of HER2 Ile655Val in BC susceptibility and prognostic factors in a Brazilian population.

Methods

Polymorphism genotype was assessed through RFLP‐PCR in 107 BC patients with clinicopathological data available and in 150 women with no evidence of neoplasia and with no familial history of BC as control group. Association between this polymorphism and BC susceptibility and clinical parameters was evaluated through odds ratio (OR) and chi‐squared or Fisher's exact test, respectively.

Results

A significant negative association between valine allele and BC susceptibility in dominant model was found (OR 0.5; 95% CI 0.27‐0.93, P = .036). No significant association was found in relation to BC clinicopathological features (tumor size, lymph nodes commitment, histological grade, HER2 overexpression, hormonal receptors, p53, and Ki‐67).

Conclusion

Although this polymorphism did not demonstrate potential as a prognostic marker, it may be a suitable susceptibility marker for BC.
Engineering Students' Perceptions of Problem Solving and Their Future
Authors: Kirn Adam , Benson Lisa
Published: February 2018

Background

Preparing students to solve complex problems is an identified area of need in engineering education. Despite the documented influence of motivation on learning, little research exists that examines how motivation and problem solving in engineering interconnect.

Purpose

This study explores how engineering students perceive problem solving tasks, the future, and the connections between the two.

Methods

Interviews with engineering students (n = 9) about engineering problems, problem solving processes, their futures, and interactions between their futures and problem solving tasks were analyzed using interpretative phenomenological analysis (IPA). Analysis of the resulting transcripts identified and clustered units of meaning into themes, first by participant and then across participants.

Results

Three themes emerged from the IPA: participants perceived engineering as being primarily a problem solving process; participants reported using different problem solving processes depending on how well the task aligned with their future goals; and participants' perceptions of their future drove the problem solving processes they report using.

Conclusions

This work supports and extends engineering problem solving literature by making explicit the connections students describe between their problem solving processes and their future‐oriented motivations. Additionally, this work furthers our understanding of how future‐oriented motivations are conceptualized by engineering students.
Sub‐monthly variability of the South American summer precipitation under El Niño and La Niña backgrounds during the 1998–2012 period
Authors: de Lima Alexandra Amaro , Andreoli Rita Valéria , Kayano Mary Toshie
Published: February 2018

The sub‐monthly intra‐seasonal 8–24‐day period (SIS8‐24) timescale variability of the summer (1 November to 31 March) rainfall over South America (SA) under distinct inter‐annual (IA) backgrounds was analysed using the Tropical Rainfall Measure Mission (TRMM) based daily total precipitation data for the 1998–2012 period. The IA backgrounds refer to the El Niño (EN) and La Niña (LN) years. First, the summer daily precipitation anomaly fields were subject to the empirical orthogonal function (EOF) analysis. Using the first and the second principal component time series filtered at the SIS8‐24 timescale, positive and negative events were selected. The first SIS8‐24 mode features a precipitation anomaly dipole with centres over southeastern SA (SESA) and central and eastern tropical SA both extending southeastwards into the adjacent Atlantic Ocean. The second mode features a precipitation anomaly pattern similar to that previously documented for the oceanic South Atlantic convergence zone (SACZ). The SIS8‐24 precipitation anomaly patterns for the positive (negative) events show differences in the anomaly intensities between EN and LN years, but with almost the same locations of the anomaly centres. These differences result from the variability inter‐SIS8‐24 events, as indicated by the distinct paths of the SIS8‐24 Rossby wave train patterns in the subtropics, although they are regionally locked over tropical SA. The relation between the SIS8‐24 and IA variabilities might occur through variations in the Rossby wave train patterns. The Rossby wave trains of both timescales, depending on their phases, reinforce or weaken the rainfall anomalies over SA, in such a way that the rainfall anomalies over SA show similar patterns but with distinct magnitudes for EN and LN composites. The South American precipitation responses to the combined SIS8‐24 and IA variability timescales stratified according to the IA backgrounds have not been studied before and might be useful for operational forecasting services.
Plagioclase composition by Raman spectroscopy
Authors: Bersani Danilo , Aliatis Irene , Tribaudino Mario , Mantovani Luciana , Benisek Artur , Carpenter Michael A. , Gatta Giacomo Diego , Lottici Pier Paolo
Published: February 2018

Plagioclase undergoes complex exsolution and ordering and phase transition processes during their evolution in nature, and this has hindered attempts to define simple trends relating the major peaks of their Raman spectra with composition. Here, the peak position and linewidth of major Raman features have been calibrated for a set of 20 plagioclases, spanning from albite to anorthite in composition, with symmetry and ordering states that were already well characterized. Point group symmetry is the most important factor determining the Raman peak behaviour with composition, though C
, I
, and P
plagioclases show different trends for the position of the main peak νa at ~500 cm−1. Using a simplifying approach, which merges the effect of Al–Si ordering and incommensurate modulations, a method has been developed to estimate the plagioclase composition from calibration of a few determinative Raman peaks. This makes use of the wavenumber difference Δab between the most intense peaks νa and νb around 500 cm−1, the linewidth Гa of the strongest νa peak, and the wavenumber difference Δcb between νc and νb peaks, where νc is a Raman feature at ~560–580 cm−1. The calibration was completed from data sets composed of spectra from metamorphic to pegmatitic plagioclase. The results were then tested against a further data set, mostly made by volcanic plagioclase. In most samples, the difference between electron micro probe analysis (EMPA) and Raman compositions is less than 5%. Higher residuals (beyond 10%) are observed for intermediate plagioclase, suggesting that some differences in Δab exist between volcanic and metamorphic plagioclase of intermediate compositions. The Raman compositional results for a plagioclase from Marsili submarine volcano agree with composition and zoning found from the analysis by laser ablation.
Bacterial diversity and community structure in Chongqing radish paocai brines revealed using PacBio single‐molecule real‐time sequencing technology
Authors: Yang Jixia , Cao Jialu , Xu Haiyan , Hou Qiangchuan , Yu Zhongjie , Zhang Heping , Sun Zhihong
Published: February 2018

BACKGROUND

Traditional Chongqing radish paocai fermented with aged brine is considered to have the most intense flavor and authentic taste. Eight ‘Yanzhi’ (red, RRPB group) and ‘Chunbulao’ (white, WRPB) radish paocai brine samples were collected from Chongqing peasant households, and the diversity and community structures of bacteria present in these brines were determined using PacBio single‐molecule real‐time sequencing of their full‐length 16S rRNA genes.

RESULTS

In total, 30 phyla, 218 genera, and 306 species were identified from the RRPB group, with 20 phyla, 261 genera, and 420 species present in the WRPB group. Obvious differences in bacterial profiles between the RRPB and WRPB groups were found, with the bacterial diversity of the WRPB group shown to be greater than that of the RRPB group. This study revealed several characteristics of the bacteria composition, including the predominance of heterofermentative lactic acid bacteria, the species diversity of genus Pseudomonas, and the presence of three opportunistic pathogenic species.

CONCLUSION

This study provides detailed information on the bacterial diversity and community structure of Chongqing radish paocai brine samples, and suggests it may be necessary to analyze paocai brine for potential sources of bacterial contamination and take appropriate measures to exclude any pathogenic species. © 2018 Society of Chemical Industry
Preparation of konjac glucomannan/casein blending gels optimized by response surface methodology and assessment of the effects of high‐pressure processing on their gel properties and structure
Authors: Zhang Fusheng , Fan Qiao , Li Hongyun , Chen Hourong , Zheng Jiong
Published: February 2018

BACKGROUND

In order to improve the compatibility of polysaccharide–protein mixtures and enhance their performance, a response surface methodology was used to optimize the preparation conditions of konjac glucomannan/casein blend gel. Moreover, the effects of high‐pressure processing (HPP) on the gel properties and structure were also investigated.

RESULTS

The optimal preparation parameters were a temperature of 60 °C, a total concentration 40 g kg−1, and a dietary alkali concentration 5 g kg−1. Under these conditions, the experimental value of hardness was 38.7 g, which was close to the predicted value. HPP increased gel hardness by 161–223% and led to a more compact structure at 200–600 MPa/10 min, while a hardness increase of ∼120% and damaged structure were observed at 600 MPa/30 min. Fourier transform infrared spectroscopy showed that noncovalent interactions are likely the most important factor in the modification of gel hardness; indeed, hydrogen bonding interactions in the gels are enhanced when subjected to HPP, but are weakened at 600 MPa/30 min.

COUCLUSION

Protein–polysaccharide complexes with excellent properties could be obtained through this method, with broad application prospects in the food industry. © 2018 Society of Chemical Industry
Structure–property relationship study of the HPLC enantioselective retention of neuroprotective 7‐[(1‐alkylpiperidin‐3‐yl)methoxy]coumarin derivatives on an amylose‐based chiral stationary phase
Authors: Pisani Leonardo , Rullo Mariagrazia , Catto Marco , de Candia Modesto , Carrieri Antonio , Cellamare Saverio , Altomare Cosimo Damiano
Published: February 2018

The enantiomer separation of a number of racemic 7‐[(1‐alkylpiperidin‐3‐yl)methoxy]coumarin derivatives, some of which show outstanding in vitro multitarget neuroprotective activities, was successfully achieved on a polysaccharide‐based chiral stationary phase, bearing amylose tris(3,5‐dimethylphenylcarbamate) as a chiral selector, in normal polar mode (methanol and acetonitrile as the mobile phases). The majority of the screened selectands, especially those bearing 1‐(3‐X‐benzyl)piperidin‐3‐yl moieties, showed baseline enantiomer separations, and compound 8 (X = NO2) was the best resolved (α = 2.01; RS = 4.27). Linear free energy relationships, usefully complemented by molecular docking calculations, have the key role in enantioselective retention of aromatic interactions between π‐donor moieties in the chiral selector and π‐acceptor moieties in selectand, strengthened by hydrogen bond interaction between a hydrogen bond donor in the chiral selector and the hydrogen bond acceptor group(s) in the selectand. Statistically, reliable equations highlighted the importance of the substituent's size and substitution pattern (meta better than para) to affect the enantiorecognition of the title compounds. The chromatographic data support the scalability of the optimized experimental conditions for preparative purposes.
An Extended Group Additivity Method for Polycyclic Thermochemistry Estimation
Authors: Han Kehang , Jamal Adeel , Grambow Colin A. , Buras Zachary J. , Green William H.
Published: February 2018

Automatic kinetic mechanism generation, virtual high‐throughput screening, and automatic transition state search are currently trending applications requiring exploration of a large molecule space. Large‐scale search requires fast and accurate estimation of molecules' properties of interest, such as thermochemistry. Existing approaches are not satisfactory for large polycyclic molecules: considering the number of molecules being screened, quantum chemistry (even cheap density functional theory methods) can be computationally expensive, and group additivity, though fast, is not sufficiently accurate. This paper provides a fast and moderately accurate alternative by proposing a polycyclic thermochemistry estimation method that extends the group additivity method with two additional algorithms: similarity match and bicyclic decomposition. It significantly reduces Hf(298 K) estimation error from over 60 kcal/mol (group additivity method) to around 5 kcal/mol, Cp(298 K) error from 9 to 1 cal/mol/K, and S(298 K) error from 70 to 7 cal/mol/K. This method also works well for heteroatomic polycyclics. A web application for estimating thermochemistry by this method is made available at http://rmg.mit.edu/molecule_search.
Solvophobic Acceleration of a Diels–Alder Reaction in True Solutions in Organic Solvents
Authors: Sedov Igor A. , Kornilov Dmitry A. , Kiselev Vladimir D.
Published: February 2018

The rate of Diels–Alder reaction of diene 9,10‐bis(hydroxymethyl)anthracene with dienophile N‐ethylmaleimide was studied in a series of solvents with different polarity and hydrogen‐bonding ability. Enthalpies and entropies of activation were determined from the temperature dependences of the rate constants. Rate acceleration in nonaqueous protic solvents such as glycerol, propylene, and ethylene glycols was observed. In addition, enthalpy versus entropy of activation plots show a compensation pattern different from the other considered solvents, which can be linked with the solvophobic effects observed in polyhydric alcohols. However, the solvophobic acceleration was not as strong as the hydrophobic acceleration in water. Hydrogen bonding of the reactants and transition state with solvent also influences the reaction rate. The studied reaction is slightly promoted in hydrocarbon solvents in comparison with aprotic polar solvents. This was explained by hydrogen bonding of the hydroxyl groups of diene with dienophile in transition state, which requires prior breaking of the hydrogen bonds of these groups with polar solvent molecules.
Insights from Ion Binding Site Network Analysis into Evolution and Functions of Proteins
Authors: Škrlj Blaž , Kunej Tanja , Konc Janez
Published: February 2018

Many biological phenomena can be represented as complex networks. Using a protein binding site comparison approach, we generated a network of ion binding sites on the scale of all known protein structures from the Protein Data Bank. We found that this ion binding site similarity network is scale‐free, indicating a network in which a few ion binding site scaffolds are the network hubs, and these are connected to hundreds of nodes, whereas the vast majority of nodes have only a few neighbors. Enrichment and statistical analysis of the network components and communities yielded insights into underlying processes from the functional and the structural perspective. Largest components and communities were observed to be closely related to basic metabolic processes and some of the most common structural folds, which, from the evolutionary point of view, indicates that they may be the oldest ones. Further, we derived the first comprehensive map of ion interchangeability, based on binding site similarity. Several highly interchangeable protein‐ion binding site pairs emerged (e.g., Ca2+ and Mg2+), as well as structurally distinct ones. The constructed network of ion binding site similarities will aid in understanding the general principles of protein‐ion binding sites structure, function and evolution. We demonstrate potential uses of the network on proteins involved in cancer development and immune response, where individual ions play prominent roles in disease development.
Incident learning in radiation oncology: A review
Authors: Ford Eric C. , Evans Suzanne B.
Published: February 2018

Incident learning is a key component for maintaining safety and quality in healthcare. Its use is well established and supported by professional society recommendations, regulations and accreditation, and objective evidence. There is an active interest in incident learning systems (ILS) in radiation oncology, with over 40 publications since 2010. This article is intended as a comprehensive topic review of ILS in radiation oncology, including history and summary of existing literature, nomenclature and categorization schemas, operational aspects of ILS at the institutional level including event handling and root cause analysis, and national and international ILS for shared learning. Core principles of patient safety in the context of ILS are discussed, including the systems view of error, culture of safety, and contributing factors such as cognitive bias. Finally, the topics of medical error disclosure and second victim syndrome are discussed. In spite of the rapid progress and understanding of ILS, challenges remain in applying ILS to the radiation oncology context. This comprehensive review may serve as a springboard for further work.
Technical Note: Kinect V2 surface filtering during gantry motion for radiotherapy applications
Authors: Nazir Souha , Rihana Sandy , Visvikis Dimitris , Fayad Hadi
Published: February 2018

Purpose

In radiotherapy, the Kinect V2 camera, has recently received a lot of attention concerning many clinical applications including patient positioning, respiratory motion tracking, and collision detection during the radiotherapy delivery phase. However, issues associated with such applications are related to some materials and surfaces reflections generating an offset in depth measurements especially during gantry motion. This phenomenon appears in particular when the collimator surface is observed by the camera; resulting in erroneous depth measurements, not only in Kinect surfaces itself, but also as a large peak when extracting a 1D respiratory signal from these data.

Methods

In this paper, we proposed filtering techniques to reduce the noise effect in the Kinect‐based 1D respiratory signal, using a trend removal filter, and in associated 2D surfaces, using a temporal median filter. Filtering process was validated using a phantom, in order to simulate a patient undergoing radiotherapy treatment while having the ground truth.

Results

Our results indicate a better correlation between the reference respiratory signal and its corresponding filtered signal (Correlation coefficient of 0.76) than that of the nonfiltered signal (Correlation coefficient of 0.13). Furthermore, surface filtering results show a decrease in the mean square distance error (85%) between the reference and the measured point clouds.

Conclusion

This work shows a significant noise compensation and surface restitution after surface filtering and therefore a potential use of the Kinect V2 camera for different radiotherapy‐based applications, such as respiratory tracking and collision detection.
Topology optimization of finite strain viscoplastic systems under transient loads
Authors: Ivarsson Niklas , Wallin Mathias , Tortorelli Daniel
Published: February 2018

A transient finite strain viscoplastic model is implemented in a gradient‐based topology optimization framework to design impact mitigating structures. The model's kinematics relies on the multiplicative split of the deformation gradient, and the constitutive response is based on isotropic hardening viscoplasticity. To solve the mechanical balance laws, the implicit Newmark‐beta method is used together with a total Lagrangian finite element formulation. The optimization problem is regularized using a partial differential equation filter and solved using the method of moving asymptotes. Sensitivities required to solve the optimization problem are derived using the adjoint method. To demonstrate the capability of the algorithm, several protective systems are designed, in which the absorbed viscoplastic energy is maximized. The numerical examples demonstrate that transient finite strain viscoplastic effects can successfully be combined with topology optimization.
Acute lymphoblastic leukemia and lymphoblastic lymphoma in adolescents and young adults
Authors: McNeer Jennifer L. , Bleyer Archie
Published: February 2018

Compared to younger and older age groups, the incidence of acute lymphoblastic leukemia (ALL) and lymphoblastic lymphoma (LBL) has increased more in the adolescent and young adult (AYA) population, the cause of which is unknown. As of the last decade, only half of the AYA patients with these diseases were surviving 10 years. Strong evidence exists that favors “pediatric” treatment regimens for AYAs compared to “adult” treatment regimens in terms of survival rates, hospitalization time, toxicities, late effects, and quality of life both during and after treatment. Targeted agents are clinically accessible for certain subsets of patients with Philadelphia‐like ALL, the incidence of which peaks in AYAs. Treatment teams must appreciate the complex psychosocial underpinnings in these patients in order to maximize compliance with the prolonged and complex treatment plans during the AYA years.
The extraordinary challenge of treating patients with congenital rhabdoid tumors—a collaborative European effort
Authors: Nemes Karolina , Clément Nathalie , Kachanov Denis , Bens Susanne , Hasselblatt Martin , Timmermann Beate , Schneppenheim Reinhard , Gerss Joachim , Siebert Reiner , Furtwängler Rhoikos , Bourdeaut Franck , Frühwald Michael Christoph ,   EU‐RHAB consortium
Published: February 2018

Background

Congenital rhabdoid tumors are rare and highly aggressive malignancies. In general, patients are considered to be incurable and are often treated using an exclusive, primarily palliative approach.

Methods

A prospective and retrospective collection of 42 patients from the European Rhabdoid Registry (EU‐RHAB), France and Moscow (2006–2016) diagnosed within the first 28 days of life was evaluated. Genetic and clinical reference evaluation included SMARCB1 and/or SMARCA4 (fluorescence‐in‐situ‐hybridization, multiplex ligation‐dependent probe amplification, and sequencing) mutation analysis and immunohistochemistry. Forty‐eight percent (20/42) of patients were treated according to the EU‐RHAB therapy, 7% (3/42) according to the pilot approach Rhabdoid 2007, 33% (14/42) with individual schedules, and 12% (5/42) received no chemotherapy at all.

Results

Forty point five percent (17/42) of patients presented with extracranial rhabdoid tumors, 33.5% (14/42) with rhabdoid tumors of the central nervous system (atypical teratoid/rhabdoid tumor), and the remainder 26% (11/42) demonstrated synchronous tumors. Metastases at diagnosis were present in 52% (22/42) of patients. A germline mutation was detected in 66% (25/38) and was associated with a poor prognosis (4.2 ± 4.1% vs. 48 ± 16.4%, P < 0.00005). A gross total resection (GTR) was realized in 17%. A GTR (42.9 ± 18.7% vs. 4.9 ± 4.3%, P = 0.04), therapy according to a standardized approach (20.9 ± 8.7% vs. 7.1 ± 6.9 %, P = 0.0018), and a complete remission (CR) (23.6 ± 9.8% vs. 1.3 ± 3.6%, P = 0.04) were significant prognostic factors.

Conclusions

The management of patients with congenital rhabdoid tumors requires a major multidisciplinary effort. In many instances, cure is not possible and a palliative approach is warranted. Our data indicate a positive impact of standardized therapeutic approaches on survival, making a tailored approach toward affected patients and their families mandatory.
Fetal pulmonary valve stenosis or atresia with intact ventricular septum: Predictors of need for neonatal intervention
Authors: Wang Qing , Wu Yu Rong , Jiao Xian Ting , Wu Peng Fei , Zhao Li Qing , Chen Sun , Sun Kun
Published: February 2018

Objectives

To compare the fetal echocardiographic measurements and neonatal outcome of fetuses with diagnosis of critical pulmonary stenosis (CPS/IVS) and pulmonary atresia with intact ventricular septum (PA/IVS) to identify the predictors of neonatal ductus dependence and the need for neonatal intervention.

Methods

Forty‐four fetuses with a diagnosis of membranous PA/IVS or CPS/IVS referred to Shanghai Xinhua Hospital Affiliated to Shanghai Jiaotong University between June 2009 and November 2014 were respectively analyzed. We analyzed their fetal and pediatric echocardiographic features and clinical features after birth.

Results

Among the 29 infants in the final analysis, 19 were ductal dependent and were diagnosed as CPS/IVS or PA/IVS after birth. Ten patients with fetal CSP/IVS were ductal independent and were diagnosed as pulmonary stenosis after birth. In midtrimester, significance was only detected in pulmonary valve (PV) regurgitation between 2 groups (P = .009). The fetuses with PV regurgitation in midtrimester were more likely to be ductal independent (odds ratio = 6.67; P = .010) than those with absence of PV regurgitation in the midtrimester scan. In late trimester, the infants in ductus‐independent group had better fetal right ventricular development than those in ductus dependent group. The right ventricle over left ventricle length ratio in last scan over 0.86 had the best capability in predicting ductus independence during neonatal period with help of receiver‐operating characteristic curve and the logistic regression analysis.

Conclusion

Among fetuses with pulmonary valve stenosis and right ventricle dysplasia at the time of first fetal echo in midtrimester, use of pulmonary valve regurgitation can identify who will be ductal dependent at births. In late trimester, right ventricle over left ventricle length ratio less than 0.86 had the best capability of predicting neonatal ductal dependence. Fetuses with reversed ductus arteriosus flow direction in late trimester were more likely to be ductus dependent after birth.
Obstetricians' views on the ethics of cardiac surgery for newborns with common aneuploidies
Authors: Fruhman Gary , Miller Collin , Amon Erol , Raible Darbey , Bradshaw Rachael , Martin Kimberly
Published: February 2018

Objective

To examine whether obstetricians think that cardiac surgery is ethical in babies with common aneuploidies and whether insurance companies should be required to pay for these surgeries.

Study Design

A survey was e‐mailed to 2897 OB‐GYNs, and 898 (31%) actively practicing obstetricians responded to the survey. Respondents were asked whether it is ethical to offer cardiac surgery for babies with heart defects diagnosed with trisomies 21, 18, and 13 and Turner syndrome and whether insurance companies should be required to pay for such surgeries in cases of trisomy 18 or 13. Chi‐square tests were utilized to compare responses by using an alpha level of .05.

Results

Most obstetricians thought that offering cardiac surgery was ethical if the baby had trisomy 21 or Turner syndrome (94%), but not trisomy 18 or 13 (75%). Most obstetricians (69%) thought that insurance companies should not be legally required to pay for cardiac surgery for the latter group.

Conclusion

Obstetricians were more likely to think cardiac surgery was ethical if the prognosis or the outcome was good. Most respondents did not think that insurance companies should be required to subsidize the cost of cardiac surgeries for all babies with trisomy 18 or 13.
Real‐world evaluation of the DESMOND type 2 diabetes education and self‐management programme
Authors: Chatterjee Sudesna , Davies Melanie J , Stribling Bernie , Farooqi Azhar , Khunti Kamlesh
Published: February 2018

Diabetes education and self‐management programmes are associated with improved biomedical, psychosocial and behavioural outcomes according to a number of randomised controlled trials (RCT) and systematic reviews. Observational studies are necessary to determine whether delivery of this education translates to improved outcomes in the real world. In 2008, the results of an RCT evaluating Diabetes Education and Self‐Management for Ongoing and Newly Diagnosed (DESMOND) in a multi‐ethnic population were published confirming the benefits of participating in this programme with sustained improvements at three years along with confirmed cost‐effectiveness. DESMOND has therefore been recommended by NICE as a robust and validated national diabetes structured education programme.

DESMOND courses have been offered by the Leicester City, Leicestershire and Rutland (LLR) clinical commissioning groups for people newly diagnosed or with pre‐existing type 2 diabetes since 2008, and we reviewed the outcomes of participants who attended a course between January 2014 and March 2015. During this period, 1678 (53%) participants attended one of 244 courses in LLR compared with 5.3% attending any validated structured education programme nationally. Notably, there was a statistically significant reduction in HbA1c of 0.96% at six months and 0.70% at 12 months (both p < 0.005). Qualitative evaluation from surveys completed by 302/1678 (18%) respondents immediately after attending DESMOND found that the programme was well received by participants who noted improvements in their ability to self‐manage diabetes.

This 15‐month evaluation of DESMOND confirms the benefits of attending the programme in the real world. Copyright © 2018 John Wiley & Sons.
Depletion of amyloid‐β peptides from solution by sequestration within fibril‐seeded hydrogels
Authors: Yau Wai‐Ming , Tycko Robert
Published: February 2018

Aggregation of amyloid‐β (Aβ) peptides in brain tissue leads to neurodegeneration in Alzheimer's disease (AD). Regardless of the kinetics or detailed mechanisms of Aβ aggregation, aggregation can only occur if Aβ concentrations exceed their local equilibrium solubility values. We propose that excess Aβ peptides can be removed from supersaturated solutions, including solutions in biological fluids, by the addition of hydrogels that are seeded with Aβ fibril fragments. Fibril growth within the hydrogels then sequesters excess peptides until equilibrium concentrations are reached. Experiments with 40‐ and 42‐residue Aβ peptides (Aβ40 and Aβ42) in phosphate buffer at 24°C and in filtered fetal bovine serum at 37°C, using crosslinked polyacrylamide hydrogels, demonstrate the validity of this concept. Aβ sequestration in fibril‐seeded hydrogels (or other porous media) may prove to be a useful technique in experiments with animal models of AD and may represent a possible approach to preventing or slowing the progression of AD in humans.
A laser desorption ionization/matrix‐assisted laser desorption ionization target system applicable for three distinct types of instruments (LinTOF/curved field RTOF, LinTOF/RTOF and QqRTOF) with different performance characteristics from three vendors
Authors: Rados Edita , Pittenauer Ernst , Frank Johannes , Varmuza Kurt , Allmaier Günter
Published: February 2018

Rationale

We have developed a target system which enables the use of only one target (i.e. target preparation set) for three different laser desorption ionization (LDI)/matrix‐assisted laser desorption ionization (MALDI) mass spectrometric instruments. The focus was on analysing small biomolecules with LDI for future use of the system for the study of meteorite samples (carbonaceous chondrites) using devices with different mass spectrometric performance characteristics.

Methods

Three compounds were selected due to their potential presence in meteoritic chondrites: tryptophan, 2‐deoxy‐d‐ribose and triphenylene. They were prepared (with and without MALDI matrix, i.e. MALDI and LDI) and analysed with three different mass spectrometers (LinTOF/curved field RTOF, LinTOF/RTOF and QqRTOF). The ion sources of two of the instruments were run at high vacuum, and one at intermediate pressure. Two devices used a laser wavelength of 355 nm and one a wavelength of 337 nm.

Results

The developed target system operated smoothly with all devices. Tryptophan, 2‐deoxy‐d‐ribose and triphenylene showed similar desorption/ionization behaviour for all instruments using the LDI mode. Interestingly, protonated tryptophan could be observed only with the LinTOF/curved field RTOF device in LDI and MALDI mode, while sodiated molecules were observed with all three instruments (in both ion modes). Deprotonated tryptophan was almost completely obscured by matrix ions in the MALDI mode whereas LDI yielded abundant deprotonated molecules.

Conclusions

The presented target system allowed successful analyses of the three compounds using instruments from different vendors with only one preparation showing different analyser performance characteristics. The elemental composition with the QqRTOF analyser and the high‐energy 20 keV collision‐induced dissociation fragmentation will be important in identifying unknown compounds in chondrites.
Anwendungsgrenzen für eine teilweise Verdübelung von Verbundträgern mit oberflanschlosen Stahlprofilen und Verbunddübelleisten
Authors: Classen Martin , Stiller Leoni Katharina
Published: February 2018

Für Verbundträger mit oberflanschlosen Stahlträgern und Verbunddübelleisten sind die Anwendungsgrenzen für eine teilweise Verdübelung bisher nicht geklärt. Im vorliegenden Beitrag (Fortsetzung von [1]) wird das Trag‐ und Verformungsverhalten dieser Verbundträger anhand experimentell verifizierter FE‐Modelle analysiert. Hierzu wird eine umfassende Parameterstudie durchgeführt. Neben dem Verdübelungsgrad und den Querschnittsabmessungen werden hierin Eigenschaften, die vom statischen System abhängen, wie die Belastungssituation (Einzellast oder Linienlast) und die Spannweite ebenso variiert, wie das Verbundmittelverformungsverhalten, indem unterschiedliche Duktilitäten bzw. Dübelkennlinien für das Ausstanz‐ und das Stahlversagen angesetzt werden. Anhand der Simulationsergebnisse werden Ingenieurmodelle für den Mindestverdübelungsgrad von Verbundträgern mit oberflanschlosen Stahlprofilen und Verbunddübelleisten einschließlich aller erforderlichen Anwendungsgrenzen für die plastische Biegebemessung hergeleitet. Diese werden den Regelungen einer allgemeinen bauaufsichtlichen Zulassung für Verbunddübelleisten gegenübergestellt. Die Modelle lassen sich auf Verbundträger mit Stahl‐T‐Querschnitt und liegenden Kopfbolzendübeln übertragen.