bluuebunny/crossref_metadata_2025_split huggingface dataset:
Interactive computer simulations for standing waves
Authors: Radinschi Irina , Fratiman Vladut , Ciocan Vasilica , Cazacu Marius‐Mihai 
Published: April 2017

ABSTRACTInteractive computer simulations and learning environments like virtual laboratories come out as an excellent alternative to conventional physics laboratories. Two of the physics laboratories from the second semester within the Faculty of Civil Engineering and Building Services of “Gheorghe Asachi” Technical University are focused on the study of standing waves. Standing waves are very important in the field of Civil Engineering because the structural integrity of buildings can be affected by standing waves and the mechanical resonance phenomenon. A good understanding of the properties of standing waves will make the properly constructed structures withstand various risk factors. Some improperly constructed structures could damage or breakdown even in the presence of vibrations or strong winds. This paper presents the computer simulations developed for the study of the standing waves on a vibrating string and the propagation of electromagnetic standing waves in a Lecher system. For both simulations, the canvas element, part of HTML5 standard, is used to draw the graphics animations. Also, many control components and some external JavaScript libraries are used to perform the virtual applications. Further, these computer simulations are posted on the virtual physics laboratory web‐site and thus, students are able to engage in more productive self or group activities. © 2017 Wiley Periodicals, Inc. Comput Appl Eng Educ 25:521–529, 2017; View this article online at wileyonlinelibrary.com/journal/cae; DOI 10.1002/cae.21818
A New Methodology for Incorporating Chiral Linkers into Stapled Peptides
Authors: Serrano Juan C. , Sipthorp James , Xu Wenshu , Itzhaki Laura S. , Ley Steven V. 
Published: April 2017

AbstractStapled peptides have arisen as a new class of chemical probe and potential therapeutic agents for modulating protein–protein interactions. Here, we report the first two‐component i,i+7 stapling methodology that makes use of two orthogonal, on‐resin stapling reactions to incorporate linkers bearing a chiral centre into a p53‐derived stapled peptide. Post‐stapling modifications to the chain were performed on‐resin and enabled rapid access to various peptide derivatives from a single staple. The stapled peptides have increased helicity, protease stability and in vitro binding affinities to MDM2 compared to the equivalent unstapled peptide. This approach can be used to generate a library of diverse stapled peptides with different properties starting from a single stapled peptide, with scope for much greater functional diversity than that provided by existing stapling methodologies.
Influence of Solution Composition and Temperature on the Crystal Form of Sodium Dehydroacetate
Authors: Zhang Xia , Yin Qiuxiang , Hou Baohong , Bao Ying , Gong Junbo , Rohani Sohrab 
Published: April 2017

AbstractThe slurry transformation of sodium dehydroacetate monohydrate with different compositions of water and methanol was investigated. The water content and temperature did not only affect the solubility but also the crystal form of the precipitated material. A new needle hydrate form of sodium dehydroacetate appeared on the surface of the anhydrate when the water content was between 2 % and the critical transformation values which varied with temperature. The results revealed that the needle hydrate was a new form of sodium dehydroacetate monohydrate. A possible explanation for these observations was found in the relationship between the change of water content, the interaction between solute and solvent, and the influence of supersaturation.
Ni−Zn Alloy Nanosheets Arrayed on Nickel Foamas a Promising Catalyst for Electrooxidation of Hydrazine
Authors: Wu Lin‐Song , Dai Hong‐Bin , Wen Xiao‐Ping , Wang Ping 
Published: April 2017

AbstractThe development of cost‐effective electrocatalysts is a key issue to promote the practical application of hydrazine as a viable energy carrier. Herein, a nickel‐foam‐supported Ni−Zn alloy catalyst is synthesized by electrodeposition and anodic dissolution methods. The developed catalyst with an opennanowall network structure and robust adhesion exhibits high activity and good durability for electrooxidation of hydrazine in an alkaline medium. For example, a current density of 300 mA cm−2at 0.40 Vand an onset potential of −0.15 V vs. the reversible hydrogen electrode are achieved in a 0.10 M hydrazine and 1.0 M NaOH solution at 30 °C. Phase and structure analysis by XRD, SEM, and XPS is conducted to gain insight into the excellent catalytic performance of theNi−Zn alloy catalyst. Such an understanding is of particular importance in the design of efficient non‐precious catalysts.
Spin States of Homochiral and Heterochiral Isomers of [Fe(PyBox)2]2+ Derivatives
Authors: Burrows Kay E. , McGrath Sarah E. , Kulmaczewski Rafal , Cespedes Oscar , Barrett Simon A. , Halcrow Malcolm A. 
Published: April 2017

AbstractThe following iron(II) complexes of 2,6‐bis(oxazolinyl)pyridine (PyBox; LH) derivatives are reported: [Fe(LH)2][ClO4]2 (1); [Fe((R)‐LMe)2][ClO4]2 ((R)‐2; LMe=2,6‐bis{4‐methyloxazolinyl}pyridine); [Fe((R)‐LPh)2][ClO4]2 ((R)‐3) and [Fe((R)‐LPh)((S)‐LPh)][ClO4]2 ((RS)‐3; LPh=2,6‐bis{4‐phenyloxazolinyl}pyridine); and [Fe((R)‐LiPr)2][ClO4]2 ((R)‐4) and [Fe((R)‐LiPr)((S)‐LiPr)][ClO4]2 ((RS)‐4; LiPr=2,6‐bis{4‐isopropyloxazolinyl}pyridine). Solid (R)‐3⋅MeNO2 exhibits an unusual very gradual, but discontinuous thermal spin‐crossover with an approximate T
of 350 K. The discontinuity around 240 K lies well below T
, and is unconnected to a crystallographic phase change occurring at 170 K. Rather, it can be correlated with a gradual ordering of the ligand conformation as the temperature is raised. The other solid compounds either exhibit spin‐crossover above room temperature (1 and (RS)‐3), or remain high‐spin between 5–300 K [(R)‐2, (R)‐4 and (RS)‐4]. Homochiral (R)‐3 and (R)‐4 exhibit more twisted ligand conformations and coordination geometries than their heterochiral isomers, which can be attributed to steric clashes between ligand substituents [(R)‐3]; or, between the isopropyl substituents of one ligand and the backbone of the other ((R)‐4). In solution, (RS)‐3 retains its structural integrity but (RS)‐4 undergoes significant racemization through ligand redistribution by 1H NMR. (R)‐4 and (RS)‐4 remain high‐spin in solution, whereas the other compounds all undergo spin‐crossover equilibria. Importantly, T
for (R)‐3 (244 K) is 34 K lower than for (RS)‐3 (278 K) in CD3CN, which is the first demonstration of chiral discrimination between metal ion spin states in a molecular complex.
Carboranes as Aryl Mimetics in Catalysis: A Highly Active Zwitterionic NHC‐Precatalyst
Authors: Selg Christoph , Neumann Wilma , Lönnecke Peter , Hey‐Hawkins Evamarie , Zeitler Kirsten 
Published: April 2017

AbstractInvited for the cover of this issue are the groups of Kirsten Zeitler and Evamarie Hey‐Hawkins at the University of Leipzig. The image depicts the carborane catalyst being a result of a long hatching process that eventually provides the starting point of a new member of the NHC‐catalyst family. Read the full text of the article at 10.1002/chem.201700209.
A hierarchical screening approach to enantiomeric separation
Authors: Evertsson Emma , Rönnberg Julia , Stålring Jonna , Thunberg Linda 
Published: April 2017

AbstractThe screening of a number of chiral stationary phases (CSPs) with different modifiers in supercritical fluid chromatography to find a chromatographic method for separation of enantiomers can be time‐consuming. Computational methods for data analysis were utilized to establish a hierarchical screening strategy, using a dataset of 110 drug‐like chiral compounds with diverse structures tested on 15 CSPs with two different modifiers. This dataset was analyzed using a combinatorial algorithm, principal component analysis (PCA), and a correlation matrix. The primary goal was to find a set of eight columns resolving a large number of compounds, but also having complementary enantioselective properties. In addition to the hereby defined hierarchical experimental strategy, quantitative structure enantioselective models (QSERs) were evaluated. The diverse chemical space and relatively limited size of the training set reduced the accuracy of the QSERs. However, including separation factors from other CSPs increased the accuracies of the QSERs substantially. Hence, such combined models can support the experimental strategy in prioritizing the CSPs of the second screening phase, when a compound is not separated by the primary set of columns.
Amine‐functionalized CuBTC/poly(ether‐b‐amide‐6) (Pebax® MH 1657) mixed matrix membranes for CO2/CH4 separation
Authors: Khosravi Tayebeh , Omidkhah Mohammadreza , Kaliaguine Serge , Rodrigue Denis 
Published: April 2017

AbstractCuBTC and NH2‐CuBTC metal organic frameworks (MOF) were used to produce mixed matrix membranes (MMM) with a block copolymer of poly(ether‐b‐amide‐6) (Pebax® MH 1657) as the polymer matrix to investigate the effect of amine functionalized group (–NH2) on the CO2/CH4 gas separation performance of the MMM. The MOF were fully characterized by XRD, FTIR‐ATR, TGA, N2, CO2, and CH4 adsorption, while the MMM were characterized using FTIR‐ATR, TGA, DSC, and SEM. Permeability and selectivity of the MMM were studied at different MOF mass contents (5 to 20 g/g) and feed pressures (0.3 to 1.5 MPa) for pure and mixed gases. The CO2 permeability for 20 g/g of both Pebax/CuBTC and Pebax/NH2‐CuBTC MMMs was nearly twice that of the neat polymeric membrane, while the presence of amine functionalized group in NH2‐CuBTC produced an increasing trend of CO2/CH4 ideal selectivity at high NH2‐CuBTC loading and about a 60 % increase was observed at 20 g/g of NH2‐CuBTC.
Ultrasound‐assisted extraction of radish seed oil with methyl acetate for biodiesel production
Authors: da Silva Sandra Beserra , dos Santos Garcia Vitor Augusto , Arroyo Pedro Augusto , da Silva Camila 
Published: April 2017

AbstractThis study evaluated the extraction of radish seed oil (Raphubus sativus L.) for application in biodiesel production. The experiments were performed in a process assisted by ultrasound using methyl acetate as the solvent, seeking to evaluate the effects of the process parameters, such as time, temperature, and solvent‐to‐seed ratio, on the oil yield, and to establish the conditions that maximize the oil extraction yield. Conventional extraction was performed for comparative purposes. The extraction time had the greatest influence on the ultrasound‐assisted extraction (UAE) for the experimental range evaluated, followed by the temperature and amount of solvent. The maximum oil recovery (33 %) was obtained for the experiment conducted at 60 °C and a solvent‐to‐seed ratio of 10 mL/g with an extraction time of 90 min. The application of ultrasound influenced the oil yield and at 120 min a yield of 33 % was obtained. Oleic and erucic acids were the main fatty acids identified in the radish seed oil. The fatty acid composition and physico‐chemical characteristics of the oils obtained were not influenced by the extraction method, but the use of ultrasound had a stronger influence on the removal of phytosterols.
A Selective Fluorescent Sensor for Fast Detection of Hydrogen Sulfide in Red Wine
Authors: Chen Qiwen , Xing Panfei , Xu Yongqian , Li Hongjuan , Sun Shiguo 
Published: April 2017

AbstractBased on the reaction between the azido group and hydrogen sulfide (H2S), BTN, an off‐on fluorescent sensor was synthesized, which exhibited a 20‐fold fluorescence enhancement upon addition of H2S, and a 5.6 × 10−8 mol/L detection limit can be reached in 10 min. To check its applicability, an easy prepared test paper strip of BTN was made for rapid and selective detection of hydrogen sulfide in red‐wine samples, the detection limit is as low as 1 µmol/L. Copyright © 2017 John Wiley & Sons, Ltd.
Overall survival with ponatinib versus allogeneic stem cell transplantation in Philadelphia chromosome‐positive leukemias with the T315I mutation
Authors: Nicolini Franck E. , Basak Grzegorz W. , Kim Dong‐Wook , Olavarria Eduardo , Pinilla‐Ibarz Javier , Apperley Jane F. , Hughes Timothy , Niederwieser Dietger , Mauro Michael J. , Chuah Charles , Hochhaus Andreas , Martinelli Giovanni , DerSarkissian Maral , Duh Mei Sheng , McGarry Lisa J. , Kantarjian Hagop M. , Cortes Jorge E. 
Published: April 2017

BACKGROUNDEffective treatment options for patients with chronic myeloid leukemia (CML) or Philadelphia‐positive (Ph+) acute lymphoblastic leukemia (ALL) who have the threonine to isoleucine mutation at codon 315 (T315I) are few. The objective of this study was to compare overall survival (OS) between patients with CML and those with Ph+ ALL who received treatment with ponatinib versus allogeneic stem cell transplantation (allo‐SCT).METHODSA post hoc, retrospective, indirect comparison of OS among patients who received single‐agent ponatinib in the Ponatinib Ph+ ALL and CML Evaluation (PACE) trial with those who underwent allo‐SCT as reported to the European Bone Marrow Transplant registry, stratified by CML disease phase and Ph+ ALL, was conducted. Kaplan‐Meier survival curves and multivariate Cox proportional‐hazards models were used to compare OS between intervention groups, adjusting for time from diagnosis to intervention, age, sex, and geographic region; 24‐month and 48‐month OS rates and median OS were reported.RESULTSAfter adjustment for potential confounders, 24‐month and 48‐month OS rates were significantly higher in patients with chronic‐phase CML (CP‐CML) who received ponatinib compared with those who underwent allo‐SCT (24 months: 84% vs 60.5%, respectively; P = .004; 48 months: 72.7% vs 55.8%, respectively; P = .013), with a hazard ratio (HR) of 0.37 (95% confidence interval [CI], 0.16‐0.84; P = .017). In patients who had accelerated‐phase CML, OS rates were not significantly different between the groups (HR, 0.90; 95% CI, 0.20‐4.10; P = .889). In patients who had blast‐crisis CML and those with Ph+ ALL, ponatinib was associated with shorter OS compared with allo‐SCT (blast‐crisis CML: HR, 2.29 [95% CI, 1.08‐4.82; P = .030]; Ph+ ALL: HR, 2.77 [95% CI, 0.73‐10.56; P = .146]).CONCLUSIONSAlthough allo‐SCT remains an important treatment option for patients with T315I‐positive advanced CML and Ph+ ALL, ponatinib represents a valuable alternative for patients with T315I‐positive CP‐CML. Cancer 2017;123:2875–80. © 2017 American Cancer Society.
The role of postmastectomy radiotherapy in women with pathologic T3N0M0 breast cancer
Authors: Cassidy Richard J. , Liu Yuan , Kahn Shannon T. , Jegadeesh Naresh K. , Liu Xi , Subhedar Preeti D. , Arciero Cletus A. , Gillespie Theresa W. , Torres Mylin A. 
Published: April 2017

BACKGROUNDThe authors determined the impact of postmastectomy radiotherapy (PMRT) on overall survival (OS) among patients with pT3N0M0 breast cancer in the National Cancer Data Base.METHODSA total of 3437 patients with pT3N0M0 breast cancer who initially were treated with mastectomy between 2003 and 2011 were identified. Of these women, 1644 (47.8%) received PMRT (67% treated with chest wall RT alone and 33% treated with chest wall and regional lymph node irradiation). Univariable and multivariable analyses were conducted to identify characteristics associated with PMRT and OS. In addition, propensity score matching and interaction effect testing also were performed.RESULTSPMRT was associated with age <40 years, private insurance coverage, treatment facility location within 10 miles of the patient's home zip code, Charlson‐Deyo comorbidity score of 0, tumor size ≥7 cm, and treatment with chemotherapy or hormone therapy (all P<.05). PMRT was associated with improved 5‐year OS (86.3% for patients treated with PMRT vs 66.4% for patients not treated with PMRT; P<.01). In addition to PMRT (hazard ratio, 0.72; 95% confidence interval, 0.59‐0.87 [P<.01]), age ≤50 years, treatment at an academic/research program, Charlson‐Deyo comorbidity score of 0, tumor size <7 cm, chemotherapy receipt, and hormone therapy receipt were associated with improved OS on multivariable analyses (all P<.05). Interaction testing found that PMRT improved OS independent of age, facility type, Charlson‐Deyo comorbidity score, tumor grade and size, surgical margin status, and receipt of chemotherapy or hormone therapy (all P>.1). Finally, propensity score matching analysis confirmed the impact of PMRT on OS (P = .02). It is interesting to note that regional lymph node irradiation did not improve OS versus chest wall RT alone (P = .09).CONCLUSIONSAmong patients with pT3N0M0 breast cancer in the National Cancer Data Base, PMRT was found to be associated with improved OS regardless of surgical margin status, tumor size, and receipt of systemic therapy. Cancer 2017;123:2829–39. © 2017 American Cancer Society.
Adequacy criteria for thyroid FNA evaluated by ThinPrep slides only
Authors: Vivero Marina , Renshaw Andrew A. , Krane Jeffrey F. 
Published: April 2017

BACKGROUNDAdequacy criteria for thyroid fine‐needle aspiration (FNA) recommended by The Bethesda System for Reporting Thyroid Cytopathology (TBS) were developed with smears, but they are commonly applied to ThinPreps (TPs). This study evaluated adequacy in TPs at different diagnostic thresholds.METHODSAll FNA procedures performed between 2010 and 2015 with matched surgical specimens were analyzed. Cell counts and cytological features were evaluated in all initially nondiagnostic (ND) cases. ND cases were reclassified into TBS categories by 2 pathologists, and the results were compared with surgical outcomes.RESULTSOne hundred forty‐six of the 151 cases initially classified as ND were available for review, and they had a mean cell count of 60.5 (standard deviation, 71.4). Interobserver agreement on the reclassification of ND cases was moderate (k = 0.57), and consensus yielded 48 ND cases (33%), 72 benign cases (49%), 24 cases of atypia of undetermined significance (16%), and 2 cases suspicious for malignancy (1%). Lowering the diagnostic threshold to any follicular cells yielded a sensitivity of 92%, a specificity of 60%, a positive predictive value of 59%, a negative predictive value of 92%, and a false‐negative rate of 7.7%, whereas the values for the initially diagnostic cases were 93%, 58%, 59%, 93%, and 7.7%, respectively. Including cases with >60 cells but lacking 6 groups containing at least 10 cells did not affect test performance. Nuclear enlargement, pallor, grooves, and the presence of histiocytoid cells in initially ND FNA correlated with malignancy.CONCLUSIONSIn thyroid FNA examined with TP only, lowering the adequacy threshold and eliminating the requirement of 6 groups of at least 10 cells did not significantly affect test performance if cytological features associated with malignancy were absent. Cancer Cytopathol 2017;125:534–43. © 2017 American Cancer Society.
Specific connections of the interpeduncular subnuclei reveal distinct components of the habenulopeduncular pathway
Authors: Quina Lely A. , Harris Julie , Zeng Hongkui , Turner Eric E. 
Published: April 2017

AbstractThe habenulopeduncular pathway consists of the medial habenula (MHb), its output tract, the fasciculus retroflexus, and its principal target, the interpeduncular nucleus (IP). Several IP subnuclei have been described, but their specific projections and relationship to habenula inputs are not well understood. Here we have used viral, transgenic, and conventional anterograde and retrograde tract‐tracing methods to better define the relationship between the dorsal and ventral MHb, the IP, and the secondary efferent targets of this system. Although prior studies have reported that the IP has ascending projections to ventral forebrain structures, we find that these projections originate almost entirely in the apical subnucleus, which may be more appropriately described as part of the median raphe system. The laterodorsal tegmental nucleus receives inhibitory inputs from the contralateral dorsolateral IP, and mainly excitatory inputs from the ipsilateral rostrolateral IP subnucleus. The midline central gray of the pons and nucleus incertus receive input from the rostral IP, which contains a mix of inhibitory and excitatory neurons, and the dorsomedial IP, which is exclusively inhibitory. The lateral central gray of the pons receives bilateral input from the lateral IP, which in turn receives bilateral input from the dorsal MHb. Taken together with prior studies of IP projections to the raphe, these results form an emerging map of the habenulopeduncular system that has significant implications for the proposed function of the IP in a variety of behaviors, including models of mood disorders and behavioral responses to nicotine.
Effective sparse representation of X‐ray medical images
Authors: Rebollo‐Neira Laura 
Published: April 2017

AbstractEffective sparse representation of X‐ray medical images within the context of data reduction is considered. The proposed framework is shown to render an enormous reduction in the cardinality of the data set required to represent this class of images at very good quality. The goal is achieved by (1) creating a dictionary of suitable elements for the image decomposition in the wavelet domain and (2) applying effective greedy strategies for selecting the particular elements, which enable the sparse decomposition of the wavelet coefficients. The particularity of the approach is that it can be implemented at very competitive processing time and low memory requirements.
Simple and Effective Catalyst Separation by New CO2‐Induced Switchable Organocatalysts
Authors: Großeheilmann Julia , Kragl Udo 
Published: April 2017

AbstractCO2‐induced switchable tertiary amine‐based organocatalysts were investigated for an efficient catalyst and product separation by its different partitioning between an organic and carbonated water phase. In this case study, the switching ability of eight tertiary amine‐based catalysts between the organic and water phase by addition or removal of CO2 was investigated. Here, the catalyst switched both nearly completely (99.9 %) into the aqueous phase by addition of CO2 and effectively back into the organic phase (99.3 %) by expelling CO2. With this technique, the organocatalyst was successfully recovered and reused twelve times without significant loss of activity (up to 90 % enantiomeric excess) for the asymmetric nitroaldol (Henry) reaction. After the first catalyst switch, evaporation of the solvent affords the product in 98 % purity without any further purification steps.
Time‐assisted authentication protocol
Authors: Bilal Muhammad , Kang Shin‐Gak 
Published: April 2017

SummaryAuthentication is the first step toward establishing a service provider and customer association. In a mobile network environment, a lightweight and secure authentication protocol is one of the most significant factors to enhance the degree of service persistence. This work presents a secure and lightweight keying and authentication protocol suite termed time‐assisted authentication protocol (TAP). The TAP improves the security of protocols with the assistance of time‐based encryption keys and scales down the authentication complexity by issuing a reauthentication ticket. While moving across the network, a mobile customer node sends a reauthentication ticket to establish new sessions with service‐providing nodes. Consequently, this reduces the communication and computational complexity of the authentication process. In the keying protocol suite, a key distributor controls the key generation arguments and time factors, while other participants independently generate a keychain based on key generation arguments. We undertake a rigorous security analysis and prove the security strength of TAP using communicating sequential processes and rank function analysis.