bluuebunny/crossref_metadata_2025_split huggingface dataset:
Quantitative flow ratio for immediate assessment of nonculprit lesions in patients with ST‐segment elevation myocardial infarction—An iSTEMI substudy
Authors: Sejr‐Hansen Martin , Westra Jelmer , Thim Troels , Christiansen Evald Høj , Eftekhari Ashkan , Kristensen Steen Dalby , Jakobsen Lars , Götberg Matthias , Frøbert Ole , van der Hoeven Nina W. , Holm Niels Ramsing , Maeng Michael 
Published: March 2019

AbstractObjectivesWe evaluated the diagnostic performance of quantitative flow ratio (QFR) assessment of nonculprit lesions (NCLs) based on acute setting angiograms obtained in patients with ST‐segment elevation myocardial infarction (STEMI) with QFR, fractional flow reserve (FFR), and instantaneous wave‐free ratio (iFR) in the staged setting as reference.BackgroundQFR is an angiography‐based approach for the functional evaluation of coronary artery lesions.MethodsThis was a post‐hoc analysis of the iSTEMI study. NCLs were assessed with iFR in the acute setting and with iFR and FFR at staged (median 13 days) follow‐up. Acute and staged QFR values were computed in a core laboratory based on the coronary angiography recordings. Diagnostic cut‐off values were ≤0.80 for QFR and FFR, and ≤0.89 for iFR.ResultsStaged iFR and FFR data were available for 146 NCLs in 112 patients in the iSTEMI study. Among these, QFR analysis was feasible in 103 (71%) lesions assessed in the acute setting with a mean QFR value of 0.82 (IQR: 0.73–0.91). Staged QFR, FFR, and iFR were 0.80 (IQR: 0.70–0.90), 0.81 (IQR: 0.71–0.88), and 0.91 (IQR: 0.87–0.96), respectively. Classification agreement of acute and staged QFR was 93% (95%Cl: 87–99). The classification agreement of acute QFR was 84% (95%CI: 76–90) using staged FFR as reference and 74% (95%CI: 65–83) using staged iFR as reference.ConclusionsAcute QFR showed a very good diagnostic performance with staged QFR as reference, a good diagnostic performance with staged FFR as reference, and a moderate diagnostic performance with staged iFR as reference.
Catalytic Regio‐ and Stereoselective Alkene Sulfenoamination for 1,4‐Benzothiazine Synthesis
Authors: Alom Nur‐E. , Kaur Navdeep , Wu Fan , Saluga Shannon Jasmine , Li Wei 
Published: March 2019

AbstractAn alkene sulfenoamination reaction with 2‐aminothiophenol is developed using iodide catalysis. This reaction renders access to useful 1,4‐benzothiazines with good functional group compatibility including both electron‐donating and electron‐withdrawing substituents. The reaction is proposed to proceed through an inversion of the polarity of the thiol functionality. Our mechanistic studies reveal that both thiiranium and thiyl radical pathways are plausible and that the disulfide reagent can also function as a viable substrate in this reaction.
Synthesis and Analysis of Natural‐Product‐Like Macrocycles by Tandem Oxidation/Oxa‐Conjugate Addition Reactions
Authors: Lee Hyunji , Sylvester Kayla , Derbyshire Emily R. , Hong Jiyong 
Published: March 2019

AbstractAs traditional small‐molecule drug discovery programs focus on a relatively narrow range of chemical space, most human proteins are viewed as unreachable targets. Consequently, there is a strong interest in expanding the chemical space in drug discovery beyond traditional small molecules. Here, a strategy for the preparation of a broad natural‐product‐like macrocyclic library by using the tandem allylic oxidation/oxa‐conjugate addition and macrocyclization reactions is reported. Cheminformatic analyses demonstrate that this tetrahydropyran‐containing macrocyclic library shows a significant overlap with natural products in the chemical space. This approach can be used for designing libraries that may probe more deeply into natural‐product‐like space.
Anticancer IrIII–Aspirin Conjugates for Enhanced Metabolic Immuno‐Modulation and Mitochondrial Lifetime Imaging
Authors: Wu Xiao‐Wen , Zheng Yue , Wang Fang‐Xin , Cao Jian‐Jun , Zhang Hang , Zhang Dong‐Yang , Tan Cai‐Ping , Ji Liang‐Nian , Mao Zong‐Wan 
Published: March 2019

AbstractThe chemo‐anti‐inflammatory strategy is attracting ever more attention for the treatment of cancer. Here, two cyclometalated IrIII complexes Ir2 and Ir3 formed by conjugation of Ir1 with two antiphlogistics (aspirin and salicylic acid) have been designed. Ir2 and Ir3 exhibit higher antitumor and anti‐inflammatory potencies than a mixture of Ir1 and aspirin/salicylic acid. We show that they can be hydrolyzed, accumulate in mitochondria, and induce mitochondrial dysfunction. Due to their intense long‐lived phosphorescence, Ir2 and Ir3 can track mitochondrial morphological changes. Phosphorescence lifetime imaging shows that Ir2 and Ir3 can aggregate during mitochondrial dysfunction. As expected, Ir2 and Ir3 exhibit immunomodulatory properties by regulating the activity of immune factors. Both Ir2 and Ir3 can induce caspase‐dependent apoptosis and caspase‐independent paraptosis and inhibit several events related to metastasis. Moreover, Ir2 and Ir3 show potent tumor growth inhibition in vivo. Our study demonstrates that the combination of mitochondrial‐targeting and immunomodulatory activities is feasible to develop multifunctional metal‐based anticancer agents.
Developing Bicatalytic Cascade Reactions: Ruthenium‐catalyzed Hydrogen Generation From Methanol
Authors: Agapova Anastasiya , Junge Henrik , Beller Matthias 
Published: March 2019

AbstractA novel state‐of‐the‐art bicatalytic system for hydrogen generation from aqueous methanol at low temperature and base concentration is described. Applying two molecularly defined ruthenium complexes A and B3 for methanol dehydrogenation at the same time under the same conditions, a synergistic effect is observed. This behavior is explained by the increase of the dehydrogenation of formic acid, which is formed as an intermediate, by the second catalyst B3.
A Molecular Torsion Balance Study: A Nearby Anionic Group Exerts Little Influence on Hydrophobic Interactions between Nonpolar Surfaces
Authors: Ling Xiujun , Wilcox Craig S. 
Published: March 2019

AbstractPolar groups have a solvent ordering effect on water and therefore may affect hydrophobic binding energies for nearby lipophilic surfaces. This would mean that determinations of excess surface free energy association energies require consideration of nearby polar functional groups. This paper reports results of a study to measure this possible effect. It was concluded from the models used here that an anionic polar group nearby a hydrophobic surface has little or no effect on the magnitude of hydrophobic association.
An empirical saddlepoint approximation based method for smoothing survival functions under right censoring
Authors: Jeganathan Pratheepa , Randrianampy Noroharivelo V. , Paige Robert L. , Trindade A. Alexandre 
Published: March 2019

AbstractThe Kaplan–Meier (KM) estimator is ubiquitously used for estimating survival functions, but it provides only a discrete approximation at the observation times and does not deliver a proper distribution if the largest observation is censored. Using KM as a starting point, we devise an empirical saddlepoint approximation‐based method for producing a smooth survival function that is unencumbered by choice of tuning parameters. The procedure inverts the moment generating function (MGF) defined through a Riemann–Stieltjes integral with respect to an underlying mixed probability measure consisting of the discrete KM mass function weights and an absolutely continuous exponential right‐tail completion. Uniform consistency, and weak and strong convergence results are established for the resulting MGF and its derivatives, thus validating their usage as inputs into the saddlepoint routines. Relevant asymptotic results are also derived for the density and distribution function estimates. The performance of the resulting survival approximations is examined in simulation studies, which demonstrate a favourable comparison with the log spline method (Kooperberg & Stone, 1992) in small sample settings. For smoothing survival functions we argue that the methodology has no immediate competitors in its class, and we illustrate its application on several real data sets.The Canadian Journal of Statistics47: 238–261; 2019 © 2019 Statistical Society of Canada
Comparison of nylon‐flocked swab and Dacron swab cytology for anal HSIL detection in transgender women and gay, bisexual, and other men who have sex with men
Authors: Wiley Dorothy J. , Hsu Hilary K. , Ganser Martha A. , Brook Jenny , Elashoff David A. , Moran Matthew G. , Young Stephen A. , Joste Nancy E. , Mitsuyasu Ronald , Darragh Teresa M. , Morris David H. , Martínez‐Maza Otoniel M. , Detels Roger , Rao Jian Yu , Bolan Robert K. , Shigeno Eric T. , Rodriguez Ernesto 
Published: March 2019

BackgroundAn anal histological high‐grade squamous intraepithelial lesion (hHSIL) is an anal cancer precursor. Experts recommend Dacron swab anal cytology as a primary screen for anal hHSILs, especially among human immunodeficiency virus–infected and –uninfected men who have sex with men (MSM). Studies have shown that Dacron cytology inaccurately predicts anal hHSILs and results in unnecessary diagnostic procedures. Nylon‐flocked (NF) swabs have been shown to trap pathogens and cells well. Thus, this study compared test characteristics of anal cytology using NF and Dacron swab collection protocols to predict anal hHSILs.MethodsA single‐visit, randomized clinical trial compared NF and Dacron swab anal cytology specimens to predict high‐resolution anoscopy and biopsy–diagnosed anal hHSILs. Data for 326 gay men, bisexual men, other MSM, and male‐to‐female transgender women contributed descriptive and tabular statistics with which unadjusted and fully adjusted logistic regression models were constructed. The models estimated the odds of hHSILs, test accuracy (area under the curve [AUC]) and sensitivity, and specificity as well as the positive and negative predictive values of abnormal NF and Dacron cytology for predicting hHSILs.ResultsIn the fully adjusted model, the sensitivities for NF and Dacron cytology were nearly equal (48% vs 47%), but the specificity was higher with NF cytology (76% vs 69%). Comparisons of the areas under receiver operating characteristic curves showed that NF cytology alone predicted hHSILs better than the covariate model (AUC, 0.69 vs 0.63; P = .02), but NF and Dacron cytology comparisons showed no statistically significant differences (AUC, 0.69 vs 0.67; P = .3).ConclusionsNF cytology and Dacron cytology provide modest sensitivity, but NF cytology has higher specificity and accuracy, and this is important for lowering the costs of population‐based screening.
Same, same but different: Attention bias for food cues in adults and adolescents with anorexia nervosa
Authors: Werthmann Jessica , Simic Mima , Konstantellou Anna , Mansfield Phoebe , Mercado Daniela , van Ens Welmoed , Schmidt Ulrike 
Published: March 2019

AbstractObjectiveAttention processing for food may be biased in people with Anorexia Nervosa (AN). However, previous studies have had inconsistent results. This is likely to be due to indirect assessment of attention, which does not inform on the underlying attention processes, and/or the heterogeneity of participants across studies, testing either adults or adolescents with AN, that is, people at very different developmental and illness stages.MethodEye‐tracking was employed as a direct assessment of attention during a visual probe task with food versus non‐food pictures. Attention bias for food was measured in 39 adults and 34 adolescents with AN and in 53 adults and 31 adolescents without AN.ResultsAll participants had a direction bias for food, specifically for high‐calorie food. However, adults with AN subsequently avoided maintaining attention on food versus non‐food cues, compared to adults without AN. Adolescents with or without AN demonstrated increased attention maintenance on food versus non‐food cues, and, contrary to our hypothesis, did not differ in their attention bias for food cues. Accordingly, adults with AN differed significantly from adolescents with AN in attention maintenance for food cues: while adolescents with AN showed significantly increased attention maintenance on food stimuli, adults avoided maintaining attention on food cues.DiscussionAdults with AN may apply attention strategies to facilitate restrictive eating. This strategy is absent in adolescents with AN. This difference in food‐related attention bias between adolescents and adults with AN suggests that attention biases develop over time as the illness progresses.
The accuracy of ecological flow metrics derived using a physics‐based distributed rainfall–runoff model in the Great Plains, USA
Authors: Worthington Thomas A. , Brewer Shannon K. , Vieux Baxter , Kennen Jonathan 
Published: March 2019

AbstractThe development of a hydrologic foundation, essential for advancing our understanding of flow‐ecology relationships, was developed using the high‐resolution physics‐based distributed rainfall–runoff model Vflo in a semi‐arid region. We compared the accuracy and bias associated with flow metrics that were generated using Vflo, gauge data, and drainage area ratios at both a daily and monthly time step in the Canadian River basin, USA. First, we calibrated and applied bias correction to the Vflo model to simulate streamflow at ungauged catchment locations. Next, flow metrics were calculated using simulated and observed data from stream gauge locations. We found discharge predictions using Vflo were more accurate than drainage area ratios. General correspondence between predicted discharge and the gauge data was apparent; however, flow metrics calculated using the Vflo output did not accurately represent flow variability. Results from the Vflo model showed systematic discharge over‐predictions in the upper basin and isolated over‐predictions in the lower basin, likely due to hail events and sparse rainfall data across the large catchment. Goodness‐of‐fit statistics (Nash–Sutcliffe efficiency, root‐mean square error, and the coefficient of variation) indicated the drainage area ratio and Vflo were more accurate at a monthly rather than daily time step, even after quantile mapping. This finding limits the number of streamflow metrics available to develop ecological models, but more importantly, the coarser resolution may hinder our understanding of ecological processes that occur at a submonthly time step. Our approach provides a framework for selecting flow metrics that best represent hydrologic patterns across a large semi‐arid catchment with the necessary accuracy to address the ecological questions of interest.
GC‐MS Characterization of Cyclic Fatty Acid Monomers and Isomers of Unsaturated Fatty Acids Formed During the Soybean Oil Heating Process
Authors: Cherif Ammar , Boukhchina Sadok , Angers Paul 
Published: March 2019

In this work, the possibility of formation and isolation of cyclic fatty acid monomers (CFAM) from polyunsaturated fatty acids via prolonged heat treatment of soybean oil are studied. The structures of CFAM are determined using Gas chromatography‐Mass spectrometry (GC‐MS) of their 4, 4‐dimethyloxazoline (DMOX) derivatives, the yield of derivatization is 98%. Among CFAM, the cyclohexyl fatty acids with ring from C12 to C17 and the cyclohexneyl with ring from C10 to C15 formed acid are detected by GC‐MS. The new cyclopentyl with ring at C14 position or between C13 to C17 are detected from linoleic acid. Also, the variation of major fatty acids composition of soybean oil during heated treatment at 150, 180, 210, and 240 °C for 60 h are analyzed. The results indicate that after heating, soybean oil contains four isomers of conjugated linoleic acid (CLA), four isomers of C18:1 and four isomers of C18:3. The heating process, the enrichment steps, and CFAM concentration can modify the profile of CFAM and permit the emergence of new compounds, which can be useful to know the edible oil structural changes during the phases of extraction and analysis.Practical Applications: When heated at high temperature for a long time, soybean oil undergoes isomerization and cyclization reactions. In fact, CFAM structures with five and six membered carbon rings are identified from heated oil. A new mass spectrum of the CFAM derivative from the intramolecular C18:2 cyclization is also described. Although CFAM are present at very low concentrations in heated oils, these compounds are the most toxic metabolites produced in soybean oil heated at high temperature. In addition to the four isomers of conjugated linoleic acid, four isomers of C18:1 and four of C18:3 are detected during the heating process. The data clearly show that it is necessary to avoid heating the soybean oil to a temperature above 210 °C for a period of more than 60 h which can minimize the production of CFAM.The gap of 68 amu between the molecular ion (333) and m/z 265 indicate the location of cyclopentyl ring at C14, which is first determined in heated soybean oil.
A new approach for traffic matrix estimation in high load computer networks based on graph embedding and convolutional neural network
Authors: Emami Mohsen , Akbari Reza , Javidan Reza , Zamani Ali 
Published: March 2019

AbstractIn computer networks, transmitted traffic between origin‐destination nodes has been considered a crucial factor in traffic engineering applications. To date, measuring the traffic directly in high load networks is difficult due to high computational costs. On the other hand, accurate estimation of network traffic by means of link load measurements and routing information is currently a challenging problem. In this paper, we propose a new approach to estimate end‐to‐end traffic, inspired by graph embedding. In the proposed approach, we consider a computer network as a time‐varying graph. Our model provides explicit routing information to a convolutional neural network estimator via link load measurements and network topological structure. When explicit routing information is provided, the learning model is only expected to embed the relations between link loads into a traffic estimation vector, instead of figuring out the routing paths. The experimental results showed that the proposed approach outperforms similar estimators in terms of lower estimation error and better tracking the fluctuations.
Change of proteolysis and sensory profile during ripening of Cheddar‐style cheese as influenced by a microbial rennet from rice wine
Authors: Zhao Xiao , Zheng Zhe , Zhang Jian , Sarwar Abid , Aziz Tariq , Yang Zhennai 
Published: March 2019

AbstractTo test the potential of a novel microbial rennet isolated from traditional fermented rice wine for cheese making, Cheddar‐style cheese made with this enzyme was studied for changes in composition, proteolysis, and sensory profile during 90 days of ripening in comparison with a control cheese made with a commercial rennet. The initial proteolysis assay of the microbial rennet on milk proteins indicated a notable increase in the hydrolysis of casein components (α‐, β‐, and κ‐caseins) but no effect on whey proteins upon increasing the concentration of the enzyme. Correspondingly, compared to cheese made with commercial rennet, the use of the microbial rennet in Cheddar‐style cheese resulted in significantly higher primary and secondary proteolysis in the later stages of ripening (60–90 days ripening) and thus a softer texture and the formation of more volatile compounds and free amino acids (FAAs) despite its lower moisture content (41.7%, w/w). Though the cheese made with the microbial rennet was found to contain bitter‐taste FAAs (1,000 mg/100 g), the combined effect of other‐taste FAAs, including sweet (231 mg/100 g), umami (225 mg/100 g), and tasteless (361 mg/100 g) FAAs, in the cheese attenuated the bitter taste of the cheese. This analysis was in accordance with the sensory evaluation, which showed no significantly different sensory scoring between the cheeses made with the microbial and commercial rennets. The present study demonstrated a novel approach to evaluate the bitter taste of ripened cheese. The results of this study suggest the potential of the microbial rennet from rice wine to serve as a new source of milk‐clotting agents in cheese making.
Ultrasound-Based Estimates of Cortical Bone Thickness and Porosity Are Associated With Nontraumatic Fractures in Postmenopausal Women: A Pilot Study
Authors: Minonzio J-G , Bochud N , Vallet Q , Ramiandrisoa D , Etcheto A , Briot K , Kolta S , Roux C , Laugier P 
Published: March 2019

ABSTRACT
Recent ultrasound (US) axial transmission techniques exploit the multimode waveguide response of long bones to yield estimates of cortical bone structure characteristics. This pilot cross-sectional study aimed to evaluate the performance at the one-third distal radius of a bidirectional axial transmission technique (BDAT) to discriminate between fractured and nonfractured postmenopausal women. Cortical thickness (Ct.Th) and porosity (Ct.Po) estimates were obtained for 201 postmenopausal women: 109 were nonfractured (62.6 ± 7.8 years), 92 with one or more nontraumatic fractures (68.8 ± 9.2 years), 17 with hip fractures (66.1 ± 10.3 years), 32 with vertebral fractures (72.4 ± 7.9 years), and 17 with wrist fractures (67.8 ± 9.6 years). The areal bone mineral density (aBMD) was obtained using DXA at the femur and spine. Femoral aBMD correlated weakly, but significantly with Ct.Th (R = 0.23, p &lt; 0.001) and Ct.Po (R = -0.15, p &lt; 0.05). Femoral aBMD and both US parameters were significantly different between the subgroup of all nontraumatic fractures combined and the control group (p &lt; 0.05). The main findings were that (1) Ct.Po was discriminant for all nontraumatic fractures combined (OR = 1.39; area under the receiver operating characteristic curve [AUC] equal to 0.71), for vertebral (OR = 1.96; AUC = 0.84) and wrist fractures (OR = 1.80; AUC = 0.71), whereas Ct.Th was discriminant for hip fractures only (OR = 2.01; AUC = 0.72); there was a significant association (2) between increased Ct.Po and vertebral and wrist fractures when these fractures were not associated with any measured aBMD variables; (3) between increased Ct.Po and all nontraumatic fractures combined independently of aBMD neck; and (4) between decreased Ct.Th and hip fractures independently of aBMD femur. BDAT variables showed comparable performance to that of aBMD neck with all types of fractures (OR = 1.48; AUC = 0.72) and that of aBMD femur with hip fractures (OR = 2.21; AUC = 0.70). If these results are confirmed in prospective studies, cortical BDAT measurements may be considered useful for assessing fracture risk in postmenopausal women. © 2019 American Society for Bone and Mineral Research.
Identify the critical protein‐coding genes and long noncoding RNAs in cardiac myxoma
Authors: Cheng Nan , Wu Yuanbin , Zhang Huajun , Guo Yi , Cui Huimin , Wei Shixiong , Zhao Yuancheng , Wang Rong 
Published: March 2019

AbstractCardiac myxoma (CM) is the most common benign cardiac tumor which is mostly sporadic. Increasing evidence show that protein‐coding genes (PCGs) and long noncoding RNAs (lncRNAs) play important roles in the pathology processes of multiple cancers. However, the functional roles and regulatory mechanisms of RNAs interaction in CM are still unclear. In this study, we investigated three pairs of surgically excised CM by high throughput sequencing and screened a set of PCGs and lncRNAs which were differentially expressed and could serve as expression markers in CM. By constructing protein‐protein interactions (PPI) and lncRNA‐mRNA coexpressing network, we screened out a CM‐related hub lncRNA‐mRNA modules, which were enriched in different pathways such as MAPK and TGF‐beta whose imbalance were validated by q‐PCR. In addition, we identified a specific dysregulated competing endogenous RNA (ceRNA) network in CM by integrating lncRNA‐miRNA‐mRNA interactions. These results will help us to understand the interaction mechanisms of RNAs in CM and provide novel PCGs and lncRNAs as potential therapeutic targets for CM.