bluuebunny/crossref_metadata_2025_split huggingface dataset:
Side‐Group‐Induced Polymorphism in Self‐Assembled Monolayers: 3,5‐Bis(trifluoromethyl)benzenethiolate Films on Au(111)
Authors: Bashir Asif , Sauter Eric , Al‐Refaie Najd , Rohwerder Michael , Zharnikov Michael , Azzam Waleed 
Published: January 2017

AbstractThe structure and molecular organization of self‐assembled monolayers (SAMs) depend on a complex interplay of intermolecular and molecule–substrate interactions, so that even a small change in molecular composition can result in noticeable changes in the SAM structure. Herein we show that decoration of the most basic aromatic SAM constituent, benzenethiol, with two trifluoromethyl groups leads to distinct polymorphism in the respective SAMs, in which the appearance of a specific structural phase or a combination of several different phases is dependent on the parameters of the preparation procedure. High‐quality films with a single crystallographic phase and significantly large domains could only be prepared after a short immersion time (5 min) and an additional re‐immersion of the sample in pure ethanol at an elevated temperature. A standard 24 h immersion at room temperature led to poorly defined films with a large defect density and only a small portion of the surface covered by well‐ordered molecular domains.
Modeling Analysis of Electric Vehicle Penetration Scenario using Dynamic Optimal Power Generation Mix Model with High Temporal Resolution
Authors: KOMIYAMA RYOICHI , FUJII YASUMASA 
Published: January 2017

SUMMARYAfter the Fukushima nuclear accident, Japanese power generation planning needs to be reassessed to reflect technical developments on both the power supply and demand sides. The Fukushima nuclear accident has complicated the position of nuclear energy in Japan's long‐term power generation mix due to public acceptance and other associated issues such as nuclear waste management. There is a need for more studies concerning the peak grid integration of variable renewables such as PV and wind power, which are expected to potentially replace nuclear energy. On the power demand side, the anticipated future introduction of electric vehicles (EVs) and plug‐in hybrid vehicle (PHEV) will have an impact on grid management in the electric power system. In this context, it is important to develop a computational tool to comprehensively analyze the optimal power generation mix and organize it in a consistent way. This paper develops a dynamic high time‐resolution optimal power generation mix model as large‐scale linear programming model with 18 million constraints and 8 million endogenous variables. It then analyzes the optimal deployment of variable renewables (VR) and EVs with the future possible nuclear scenario and CO2 regulation policy in Japan taken into consideration. In the calculated optimal solutions, EVs play an important role in integrating variable renewables and treating the imbalance in VR surplus output.
Prediction Model on Room Temperature Side Effect due to FastADR Aggregation for a Cluster of Building Air‐Conditioning Facilities
Authors: NARAMURA TAKU , MORIKAWA JUNJI , NINAGAWA CHUZO 
Published: January 2017

SUMMARYIn this paper, we have constructed an auto regressive and neural network combined type prediction model for responsive change in the room temperature trend due to the fast automated demand response (FastADR) power limitation of office building air‐conditioning facilities. We defined the average of differences between room temperature and set point of each indoor unit for the entire building as a FastADR side effect index for the building. Prediction experiments using an actual office building showed that the root mean square prediction error of our model was 0.23 °C for 5 min after the FastADR. This prediction ability is considered sufficient to estimate the side effect of FastADR power limitation.
Equivalent Circuit of Distribution Line for Lightning‐Induced Voltage Analysis Using Analytical Formulas
Authors: SEKIOKA SHOZO 
Published: January 2017

SUMMARYThis paper proposes an equivalent circuit at a transition point of distribution line for lightning‐induced voltage analysis. The lightning‐induced voltages caused by a piecewise linearly varying lightning current are expressed by analytical formulas. The equivalent circuit is represented by resistors and current sources, which are known from past history and given by the lightning‐induced voltage on an infinite‐length line. Transient voltages and currents at the transition point are accurately obtained in small computation time using the equivalent circuit. Thus, the proposed equivalent circuit is very convenient for analyzing the lightning‐induced effect in complicated electric power networks. This paper presents an example of EMTP data cards to use the proposed equivalent circuit in the EMTP.
First‐Principles Calculations and Optical Absorption Spectrum of a Light‐Colored Aluminum‐Substituted ε‐Iron Oxide Magnet
Authors: Nasu Tomomichi , Yoshikiyo Marie , Tokoro Hiroko , Namai Asuka , Ohkoshi Shin‐ichi 
Published: January 2017

AbstractInvited for the cover of this issue is the group of Shin‐ichi Ohkoshi at The University of Tokyo, Japan. The cover image shows the crystal structure, density of states, UV/Vis spectrum, and a picture of Al‐substituted ε‐iron oxide.
Extraction and preconcentration of triazine pesticides using rapid, simple, and disperser solventless microextraction technique followed by gas chromatography–nitrogen phosphorous detection
Authors: Farajzadeh Mir Ali , Feriduni Behruz , Afshar Mogaddam Mohammad Reza 
Published: January 2017

In this study, a simple, rapid, and efficient microextraction method followed by gas chromatography–nitrogen‐phosphorous detection has been applied for the extraction, preconcentration and determination of some triazine pesticides in edible oil samples. In this method, initially the oil sample is dissolved in hexane and then a few microliter of a less soluble organic solvent in hexane (extraction solvent) is added. The mixture is rapidly aspirated into a glass syringe and then is injected into a conical centrifuge tube for predetermined cycles to form a cloudy solution. Some experimental parameters that influence the extraction efficiency, such as type and volume of the extraction solvent, extraction numbers, and centrifuging rate and time are examined and optimized. Under optimum extraction conditions, the method showed low limits of detection and quantification between 0.02 to 0.09 and 0.07 to 0.30 μg/L, respectively. Extraction recoveries were in the range of 74–96%.Practical applications:This paper describes an analytical method that can be used by oil manufacturers for quality control purposes. A disperser solventless microextraction method and GC‐NPD were used to monitor triazine pesticides in different edible oils and propazine was found in corn oil.Triazine pesticides often contaminate the seeds and hence will be transferred into the oils during the extraction process. For trace determination of triazines in edible oil, 1 mL edible oil was diluted with 4 mL n‐hexane in conical tube and 40 µL DMSO was added. The mixture was rapidly aspirated into a 10‐mL glass syringe and then injected into the tube (4 times) to form a cloudy solution. The method showed low limits of detection and quantification between 0.02 to 0.09 and 0.07 to 0.30 µg/L, respectively. Extraction recoveries were in the range of 74–96%.
Stabilization of conjugated linoleic acid via complexation with arabinogalactan and β‐glucan
Authors: Veverka Miroslav , Dubaj Tibor , Jorík Vladimír , Veverková Eva , Šimon Peter 
Published: January 2017

Conjugated linoleic acid (CLA) was stabilized via its complexation with arabinogalactan or beta‐glucan by freeze‐drying. The complexes were characterized by infrared spectroscopy, X‐ray diffraction, differential scanning calorimetry, and scanning electron microscopy. The results have shown that only a fraction of CLA is present in the form of inclusion complex while the rest is adsorbed on the surface of the polysaccharide matrix. Even though the materials prepared contain relatively high amount of uncomplexed CLA, the complexation yields products with significantly increased stability toward thermal and oxidative stress compared to pristine CLA.Practical applications: The results demonstrate that it is possible to integrate dietary fibre and dietary fat into a single solid functional food material with increased shelf life. Moreover, the combination of CLA with polysaccharide matrix allows preparation of stable O/W emulsions of CLA.Interaction between polysaccharides (beta‐glucan and arabinogalactan) and CLA allows preparation of materials with high CLA loading of up to 30% while maintaining improved oxidative stability compared to free CLA or physical mixture.
Obesity‐related genetic polymorphisms and adiposity indices in a young Italian population
Authors: Bordoni Laura , Marchegiani Francesca , Piangerelli Marco , Napolioni Valerio , Gabbianelli Rosita 
Published: January 2017

AbstractPediatric obesity develops when a complex biological predisposition collides with an obesogenic environment. To further elucidate the role of genetics in obesity onset, we performed a candidate‐gene association study in a young and sportive Italian population by testing the association of functional polymorphisms in ACE (rs4646994), FTO (rs9939609), MC4R (rs17782313) and PPARG (rs1801282) genes with body mass index (BMI) and waist‐to‐height ratio (WHtR). We also tested the combinations of identified risk genotypes and epistatic interactions among them to determine the existence of cumulative effects in predicting the predisposition to gain weight. Our results confirm a significant direct influence of MC4R rs17782313 and PPARG rs1801282 on body composition, that is, minor allele homozygotes showed significantly higher BMI (rs17782313, β = 1.258, P = 0.031; rs1801282, β = 6.689, P = 1.2 × 10−4) and WHtR (rs17782313, β = 0.021, P = 0.005; rs1801282, β = 0.069, P = 0.003) values. Moreover, by leveraging multifactor dimensionality reduction and general linear model (GLM) approaches we identified an epistatic interaction between ACE and MC4R, where heterozygosity at ACE rs4646994 seems to protect from the unfavorable predisposition to gain weight given by C/C genotype at MC4R rs17782313 (GLM, P = 0.004). In conclusion, to clarify the role of genetics in multifactorial diseases remains a difficult goal, even for the most investigated polymorphisms and in controlled populations. Further studies on epistasis and gene–gene interaction will help to elucidate this complex scenario. © 2017 IUBMB Life, 69(2):98–105, 2017
DCE‐MRI of the prostate using shutter‐speed vs. Tofts model for tumor characterization and assessment of aggressiveness
Authors: Hectors Stefanie J. , Besa Cecilia , Wagner Mathilde , Jajamovich Guido H. , Haines George K. , Lewis Sara , Tewari Ashutosh , Rastinehad Ardeshir , Huang Wei , Taouli Bachir 
Published: January 2017

PurposeTo quantify Tofts model (TM) and shutter‐speed model (SSM) perfusion parameters in prostate cancer (PCa) and noncancerous peripheral zone (PZ) and to compare the diagnostic performance of dynamic contrast‐enhanced magnetic resonance imaging (DCE‐MRI) to Prostate Imaging and Reporting and Data System (PI‐RADS) classification for the assessment of PCa aggressiveness.Materials and MethodsFifty PCa patients (mean age 60 years old) who underwent MRI at 3.0T followed by prostatectomy were included in this Institutional Review Board‐approved retrospective study. DCE‐MRI parameters (Ktrans, ve, kep [TM&SSM] and intracellular water molecule lifetime τi [SSM]) were determined in PCa and PZ. Differences in DCE‐MRI parameters between PCa and PZ, and between models were assessed using Wilcoxon signed‐rank tests. Receiver operating characteristic (ROC) analysis for differentiation between PCa and PZ was performed for individual and combined DCE‐MRI parameters. Diagnostic performance of DCE‐MRI parameters for identification of aggressive PCa (Gleason ≥8, grade group [GG] ≥3 or pathology stage pT3) was assessed using ROC analysis and compared with PI‐RADSv2 scores.ResultsDCE‐MRI parameters were significantly different between TM and SSM and between PZ and PCa (P < 0.037). Diagnostic performances of TM and SSM for differentiation of PCa from PZ were similar (highest AUC TM: Ktrans+kep 0.76, SSM: τi+kep 0.80). PI‐RADS outperformed TM and SSM DCE‐MRI for identification of Gleason ≥8 lesions (AUC PI‐RADS: 0.91, highest AUC DCE‐MRI: Ktrans+τi SSM 0.61, P = 0.002). The diagnostic performance of PI‐RADS and DCE‐MRI for identification of GG ≥3 and pT3 PCa was not significantly different (P > 0.213).ConclusionSSM DCE‐MRI did not increase the diagnostic performance of DCE‐MRI for PCa characterization. PI‐RADS outperformed both TM and SSM DCE‐MRI for identification of aggressive cancer.Level of Evidence: 3Technical Efficacy: Stage 2J. MAGN. RESON. IMAGING 2017;46:837–849
Incorporation of CT‐based measurements of trunk anatomy into subject‐specific musculoskeletal models of the spine influences vertebral loading predictions
Authors: Bruno Alexander G. , Mokhtarzadeh Hossein , Allaire Brett T. , Velie Kelsey R. , De Paolis Kaluza M. Clara. , Anderson Dennis E. , Bouxsein Mary L. 
Published: January 2017

ABSTRACTWe created subject‐specific musculoskeletal models of the thoracolumbar spine by incorporating spine curvature and muscle morphology measurements from computed tomography (CT) scans to determine the degree to which vertebral compressive and shear loading estimates are sensitive to variations in trunk anatomy. We measured spine curvature and trunk muscle morphology using spine CT scans of 125 men, and then created four different thoracolumbar spine models for each person: (i) height and weight adjusted (Ht/Wt models); (ii) height, weight, and spine curvature adjusted (+C models); (iii) height, weight, and muscle morphology adjusted (+M models); and (iv) height, weight, spine curvature, and muscle morphology adjusted (+CM models). We determined vertebral compressive and shear loading at three regions of the spine (T8, T12, and L3) for four different activities. Vertebral compressive loads predicted by the subject‐specific CT‐based musculoskeletal models were between 54% lower to 45% higher from those estimated using musculoskeletal models adjusted only for subject height and weight. The impact of subject‐specific information on vertebral loading estimates varied with the activity and spinal region. Vertebral loading estimates were more sensitive to incorporation of subject‐specific spinal curvature than subject‐specific muscle morphology. Our results indicate that individual variations in spine curvature and trunk muscle morphology can have a major impact on estimated vertebral compressive and shear loads, and thus should be accounted for when estimating subject‐specific vertebral loading. © 2017 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 35:2164–2173, 2017.
Directed balloon cytology of the esophagus: A novel device for obtaining circumferential cytologic sampling
Authors: Patel Amit A. , Strome Marshall , Blitzer Andrew 
Published: January 2017

ObjectiveCurrent methods of obtaining esophageal cytology include brush biopsy and blind balloon sampling, among others. These methods can be time‐consuming if performed in accordance with acknowledged standards. Further, exact site localization can prove to be difficult. We describe a novel device for esophageal sampling using an esophageal balloon with debriding strips contained within the pleats of the balloon. Inflation brings the latter in contact with the surface to be sampled. Cell capture was compared with the commonly used brush technique in a pig model.MethodsSeparate balloon and standard brush cytology samples were collected from a pig model. Smear and cell pellet preparations were compared regarding cell density and total volume.ResultsAdequate samples were obtained with both the brush and balloon. On the cell smear preparations, the cell density was greater when obtained with balloon sampling. Further, the cell pellet volume was significantly greater with the latter as well. The intact morphology of individual rafts of squamous epithelial cells also was comparable between the two methods. In addition, the balloon provided precise mapping of the cytology sites in contrast to the standard brush technique.ConclusionWe present an innovative new balloon technology for esophageal sampling, which demonstrated a decreased sampling time interval, precise mapping, and increased cellular volume when compared to a commonly used brush technique.Level of EvidenceNA. Laryngoscope, 127:1032–1035, 2017
Changes in thyroid cancer incidence, post‐2009 American Thyroid Association guidelines
Authors: Shi Lucy L. , DeSantis Carol , Jemal Ahmedin , Chen Amy Y. 
Published: January 2017

BackgroundThe thyroid cancer incidence rate has tripled in the United States since the 1980s, especially among women and small‐sized tumors. This trend has been attributed to increased detection due to the availability of ultrasound and fine‐needle aspiration technology. In 2009, the American Thyroid Association (ATA) released revisions to their guidelines for well‐differentiated thyroid cancers.ObjectiveTo examine trends in thyroid cancer incidence rates by tumor size and gender following the 2009 ATA guideline revisions.MethodsCases of differentiated thyroid cancer diagnosed from 2000 to 2012 were analyzed from the National Cancer Institute Surveillance Epidemiology and End Results program, 18 registries. Trends in incidence rates based on gender (males, females) and tumor size (< 1.0 cm, 1.0–2.9 cm, 3.0–3.9 cm, ≥ 4.0 cm) were analyzed using Joinpoint Regression and reported as the annual percentage change (APC).ResultsFrom 2000 to 2009, overall thyroid cancer incidence rates increased rapidly by about 8% per year in both sexes. Incidence rates increased across all tumor sizes, but especially in tumors 1.0 to 2.9 cm (men, APC = 7.7; women, APC = 7.8) and < 1.0 cm (men, APC = 7.8; women = 10.9) for both genders. Since 2009, the trend slowed in men (APC = 3.0) and women (APC = 2.8). The deceleration among females was confined to tumors less than 2.9 cm. Trends for all size groups in males remained constant from 2000 to 2012.ConclusionThe rapid increase in thyroid cancer incidence rates over the past three decades has recently slowed, especially among small‐sized cancers and women, which coincides with the 2009 ATA guideline revisions.Level of Evidence2c. Laryngoscope, 127:2437–2441, 2017
The epileptic and nonepileptic spectrum of paroxysmal dyskinesias: Channelopathies, synaptopathies, and transportopathies
Authors: Erro Roberto , Bhatia Kailash P. , Espay Alberto J. , Striano Pasquale 
Published: January 2017

ABSTRACTHistorically, the syndrome of primary paroxysmal dyskinesias was considered a group of disorders as a result of ion channel dysfunction. This proposition was primarily based on the discovery of mutations in ion channels, which caused other episodic neurological disorders such as epilepsy and migraine and also supported by the frequent association between paroxysmal dyskinesias and epilepsy. However, the discovery of the genes responsible for the 3 classic forms of paroxysmal dyskinesias disproved this ion channel theory. On the other hand, novel gene mutations implicating ion channels have been recently reported to produce episodic movement disorders clinically similar to the classic paroxysmal dyskinesias. Here, we review the clinical and pathophysiological aspects of the paroxysmal dyskinesias, further proposing a pathophysiological framework according to which they can be classified as synaptopathies (proline‐rich transmembrane protein 2 and myofibrillogenesis regulator gene), channelopathies (calcium‐activated potassium channel subunit alpha‐1 and voltage‐gated sodium channel type 8), or transportopathies (solute carrier family 2 member 1). This proposal might serve to explain similarities and differences among the various paroxysmal dyskinesias in terms of clinical features, treatment response, and natural history. © 2017 International Parkinson and Movement Disorder Society
A conformal group approach to the Dirac–Kähler system on the lattice
Authors: Rodrigues Faustino Nelson José 
Published: January 2017

Starting from the representation of the (n − 1) + n − dimensional Lorentz pseudo‐sphere on the projective space
, we propose a method to derive a class of solutions underlying to a Dirac–Kähler type equation on the lattice. We make use of the Cayley transform
to show that the resulting group representation arises from the same mathematical framework as the conformal group representation in terms of the general linear group
. That allows us to describe such class of solutions as a commutative n − ary product, involving the quasi‐monomials
) with membership in the paravector space
. Copyright © 2016 John Wiley & Sons, Ltd.
An interface thick level set model for simulating delamination in composites
Authors: Latifi M. , van der Meer F. P. , Sluys L. J. 
Published: January 2017

SummaryThis paper presents a discontinuous thick level set model for modeling delamination initiation and propagation in composites. Interface elements are widely applied in delamination models to define a discontinuity between layers of a laminate. In this paper, the common damage definition in the constitutive relation of interface elements is replaced with a new definition developed using the thick level set approach. Following this approach, a band of damage with predefined length is considered where the damage is defined as a function of distance to the damage front. The specifications of suitable damage functions for the developed method are investigated, and an efficient damage function is introduced. A sensitivity analysis of numerical input parameters is performed, which proves that the model is not sensitive to the length of the damage band. Because the required element size is linked to the length of the damage band, the insensitivity to this length provides freedom to use coarser meshes. Furthermore, the model provides a direct link between fracture mechanics and damage mechanics, which enables further development of the model for fatigue analysis. Validation of this model is presented by conducting three‐dimensional mode I, mode II, and mixed‐mode simulations and comparing the results with analytical solutions. Copyright © 2016 John Wiley & Sons, Ltd.
LATIN: A new view and an extension to wave propagation in nonlinear media
Authors: Givoli Dan , Bharali Ritukesh , Sluys Lambertus J. 
Published: January 2017

SummaryThe LATIN (acronym of LArge Time INcrement) method was originally devised as a non‐incremental procedure for the solution of quasi‐static problems in continuum mechanics with material nonlinearity. In contrast to standard incremental methods like Newton and modified Newton, LATIN is an iterative procedure applied to the entire loading path. In each LATIN iteration, two problems are solved: a local problem, which is nonlinear but algebraic and miniature, and a global problem, which involves the entire loading process but is linear. The convergence of these iterations, which has been shown to occur for a large class of nonlinear problems, provides an approximate solution to the original problem. In this paper, the LATIN method is presented from a different viewpoint, taking advantage of the causality principle. In this new view, LATIN is an incremental method, and the LATIN iterations are performed within each load step, similarly to the way that Newton iterations are performed. The advantages of the new approach are discussed. In addition, LATIN is extended for the solution of time‐dependent wave problems. As a relatively simple model for illustrating the new formulation, lateral wave propagation in a flat membrane made of a nonlinear material is considered. Numerical examples demonstrate the performance of the scheme, in conjunction with finite element discretization in space and the Newmark trapezoidal algorithm in time. Copyright © 2017 John Wiley & Sons, Ltd.