bluuebunny/crossref_metadata_2025_split huggingface dataset:
Profiling of circulating tumor DNA in plasma of non‐small cell lung cancer patients, monitoring of epidermal growth factor receptor p.T790M mutated allelic fraction using beads, emulsion, amplification, and magnetics companion assay and evaluation in future application in mimicking circulating tumor cells
Authors: Garcia Jessica , Wozny Anne‐Sophie , Geiguer Florence , Delherme Aurélia , Barthelemy David , Merle Patrick , Tissot Claire , Jones Frederick S. , Johnson Chassidy , Xing Xiaobin , Xu Zhenyu , Edelstein Daniel L. , Brevet Marie , Souquet Pierre‐Jean , Rodriguez‐Lafrasse Claire , Payen Léa , Couraud Sébastien 
Published: May 2019

AbstractCell‐free plasma DNA (cfDNA) and mimicking circulating tumor cells (mCTCs) have demonstrated tremendous potential for molecular diagnosis of cancer and have been rapidly implemented in specific settings. However, widespread clinical adoption still faces some obstacles. The purpose was to compare the performance of a BEAMing (beads, emulsion, amplification, and magnetics) assay (OncoBEAM™‐epidermal growth factor receptor [EGFR] [Sysmex Inostics]) and a next‐generation sequencing assay (NGS; 56G Oncology panel kit, Swift Bioscience) to detect the p.T790M EGFR mutation in cfDNA of non‐small cell lung cancer (NSCLC) patients. CfDNA samples (n = 183) were collected within our hospital from patients having a known EGFR sensitizing mutation, and presenting disease progression while under first‐line therapy. EGFR mutations were detected using NGS in 42.1% of samples during progression in cfDNA. Testing using the OncoBEAM™‐EGFR assay enabled detection of the p.T790M EGFR mutation in 40/183 NSCLC patients (21.8%) versus 20/183 (10.9%), using the NGS assay. Samples that were only positive with the OncoBEAM™‐EGFR assay had lower mutant allelic fractions (Mean = 0.1304%; SD ± 0.1463%). In addition, we investigated the detection of p.T790M in mCTCs using H1975 cells. These cells spiked into whole blood were enriched using the ClearCellFX1 microfluidic device. Using the OncoBEAM™‐EGFR assay, p.T790M was detected in as few as 1.33 tumoral cells/mL. Overall, these findings highlight the value of using the OncoBEAM™‐EGFR to optimize detection of the p.T790M mutation, as well as the complementary clinical value that each of the mutation detection assay offers: NGS enabled the detection of mutations in other oncogenes that may be relevant to secondary resistance mechanisms, whereas the OncoBEAM™‐EGFR assay achieved higher sensitivity for detection of clinically actionable mutations.
Interaction with proactive and reactive agents in box manipulation tasks in virtual environments
Authors: Liu Kuan‐Yu , Volonte Matias , Hsu Yu‐Chun , Babu Sabarish V. , Wong Sai‐Keung 
Published: May 2019

AbstractThis paper studies the user collaboration experience with proactive and reactive agents in transporting boxes in virtual environments. Two main characters, the avatar and the agent, are controlled by a user and a controller, respectively. The user and the agent communicate with each other by voice. The agent can be proactive or reactive. The user follows the instruction issued by the proactive agent, whereas the user instructs the reactive agent to perform actions. The goal is to transport boxes to goal positions with orientation constraints. We conducted a user study to analyze the behaviors of participants in several aspects, including task completion time, path length, control experience, and co‐presence experience. We report our findings and make suggestions for future development.
Rational Design of Novel Phosphoinositide 3‐Kinase Gamma (PI3Kγ) Selective Inhibitors: A Computational Investigation Integrating 3D‐QSAR, Molecular Docking and Molecular Dynamics Simulation
Authors: Li Kan , Zhu Jingyu , Xu Lei , Jin Jian 
Published: May 2019

AbstractPhosphoinositide 3‐kinase gamma (PI3Kγ) draws an increasing attention due to its link with deadly cancer, chronic inflammation and allergy. But the development of PI3Kγ selective inhibitors is still a challenging endeavor because of the high sequence homology with the other PI3K isoforms. In order to acquire valuable information about the interaction mechanism between potent inhibitors and PI3Kγ, a series of PI3Kγ isoform‐selective inhibitors were analyzed by a systematic computational method, combining 3D‐QSAR, molecular docking, molecular dynamic (MD) simulations, free energy calculations and decomposition. The general structure–activity relationships were revealed and some key residues relating to selectivity and high activity were highlighted. It provides precious guidance for rational virtual screening, modification and design of selective PI3Kγ inhibitors. Finally, ten novel inhibitors were optimized and P10 showed satisfactory predicted bioactivity, demonstrating the feasibility to develop potent PI3Kγ inhibitors through this computational modeling and optimization.
A Strategy for Discovering Heterochiral Bioactive Peptides by Using the OB2nP Library and SPOTs Method
Authors: Udagawa Hinako , Yoneda Takato H. , Masuda Ryo , Koide Takaki 
Published: May 2019

Abstractd‐Amino acid containing peptides are promising as drug lead compounds because of their expected higher stability in vivo. A heterochiral random peptide library called the one‐bead–2n‐peptide (OB2nP) library, which can display 2n peptide diastereomers per bead, has been developed. Through screening of the OB2nP library and subsequent binding assay among the peptide diastereomers synthesized in parallel by means of the SPOTs method, new heterochiral mimotopes for the anti‐β‐endorphin monoclonal antibody have been obtained. One mimotope was a new ligand for the μ‐opioid receptor. The screening strategy enabled d‐amino acid containing drug leads to be obtained efficiently by expanding searchable chemical space without increasing the experimental scale.
Metastable 9‐Fluorenone: Blueshifted Fluorescence, Single‐Crystal‐to‐Single‐Crystal Reactivity, and Evaluation as a Multimodal Fingermark Visualization Treatment
Authors: Florence Grace E. , Bruce Katy A. , Shepherd Helena J. , Gee William J. 
Published: May 2019

AbstractA metastable form of 9‐fluorenone (MS9F) has been characterized using Raman spectroscopy, fluorimetry, and X‐ray diffraction techniques. MS9F emits blue fluorescence (λmax=495 nm) upon 365 nm irradiation and undergoes a single‐crystal‐to‐single‐crystal (SCSC) transformation to reach the ground state form (GS9F) over approximately 30 minutes, whereupon it emits the expected green fluorescence. A structure–property relationship for this fluorescent behavior has been posited. MS9F and GS9F were applied as a means of visualizing latent fingermarks on a nonporous surface. This approach identified three different modes of fluorescent fingermark visualization using 9‐fluorenone.
Dual Activation of Aromatic Diels–Alder Reactions
Authors: Narsaria Ayush K. , Hamlin Trevor A. , Lammertsma Koop , Bickelhaupt F. Matthias 
Published: May 2019

AbstractThe unusually fast Diels–Alder reactions of [5]cyclophanes were analyzed by DFT at the BLYP‐D3(BJ)/TZ2P level of theory. The computations were guided by an integrated activation‐strain and Kohn–Sham molecular orbital analysis. It is revealed why both [5]metacyclophane and [5]paracyclophane exhibit a significant rate enhancement compared to their planar benzene analogue. The activation strain analyses revealed that the enhanced reactivity originates from 1) predistortion of the aromatic core resulting in a reduced activation strain of the aromatic diene, and/or 2) enhanced interaction with the dienophile through a distortion‐controlled lowering of the HOMO–LUMO gap within the diene. Both of these physical mechanisms and thus the rate of Diels–Alder cycloaddition can be tuned through different modes of geometrical distortion (meta versus para bridging) and by heteroatom substitution in the aromatic ring. Judicious choice of the bridge and heteroatom in the aromatic core enables effective tuning of the aromatic Diels–Alder reactivity to achieve activation barriers as low as 2 kcal mol−1, which is an impressive 35 kcal mol−1 lower than that of benzene.
Deviations from Beer's law in electronic absorption and circular dichroism: Detection for enantiomeric excess analysis
Authors: Tang Qiaozhi , Zhao Lu , Xie Jingqian , Liu Kai , Liu Weiping , Zhou Shanshan 
Published: May 2019

AbstractThe electronic absorption (UV) to circular dichroism (CD) signal ratio can be used for enantiomeric excess (ee) analysis within linear range. However, CD detection often requires a high sample concentration where deviations from Beer's law may occur. Individual enantiomers of four chiral compounds were separated from commercial racemates by semipreparative high‐performance liquid chromatography (HPLC) with chiral columns. They were used to trace possible deviations in both UV and CD detection on achiral HPLC with a photodiode array detector and a CD detector. The CD/UV ratios for samples with the same ee value decreased by up to 7.8 to 52% when the injection volume increased, indicating that the linear standard curve of ee versus CD/UV is only valid within a narrow range. To extend the sample amount to a wider range, a data‐processing method was developed based on two second‐order polynomial functions, which were constructed to fit the relationship between the intensities of the UV and CD signals for two enantiomers. Moreover, a more simplified method based on a third‐order polynomial function was established to calculate the ee values. The variations between the predicted and experimental ee values were within ±0.08 for both methods. To our knowledge, this is the first study that the deviations from Beer's law are considered in both UV and CD detection for ee analysis.
Direktes Herstellungsverfahren von Komposit‐Hohlfasermembranen mit sinusförmiger Geometrie
Authors: Roth Hannah , Alders Michael , Luelf Tobias , Emonds Stephan , Tepper Maik , Wessling Matthias 
Published: May 2019

AbstractMit dem direkten Spinnverfahren können Komposit‐Hohlfasermembranen in einem einstufigen Prozess hergestellt werden. Dabei wird die klassische Faserbildung mit einer Grenzflächenpolymerisation auf der Lumenseite der Hohlfaser überlagert. Für die Herstellung von sinusförmigen Hohlfasermembranen wird im herkömmlichen Nassspinnprozess zusätzlich die Lumenflüssigkeit während des Spinnens pulsiert. In dieser Arbeit wurden Komposit‐Hohlfasermembranen mit sinusförmiger Geometrie hergestellt. Die sinusförmige Geometrie kann Konzentrationspolarisationseffekte in Membrananwendungen reduzieren.
Short‐Range Structural Correlations in Amorphous 2D Polymers
Authors: Alexa Patrick , Oligschleger Christina , Gröger Pascal , Morchutt Claudius , Vyas Vijay , Lotsch Bettina V. , Schön J. Christian , Gutzler Rico , Kern Klaus 
Published: May 2019

AbstractMany 2D covalent polymers synthesized as single layers on surfaces show inherent disorder, expressed for example in their ring‐size distribution. Systems which are expected to form the thermodynamically favored hexagonal lattice usually deviate from crystallinity and include high numbers of pentagons, heptagons, and rings of other sizes. The amorphous structure of two different covalent polymers in real space using scanning tunneling microscopy is investigated. Molecular dynamics simulations are employed to extract additional information. We show that short‐range correlations exist in the structure of one polymer, i. e. that polygons are not tessellating the surface randomly but that ring neighborhoods have preferential compositions. The correlation is dictated by the energy of formation of the ring neighborhoods.
Structural and functional responses of macroinvertebrate assemblages to long‐term flow variability at perennial and nonperennial sites
Authors: Mathers Kate L. , Stubbington Rachel , Leeming David , Westwood Christian , England Judy 
Published: May 2019

AbstractTemporary streams constitute a significant proportion of rivers globally and are common in wet, cool, temperate regions. These heterogeneous ecosystems harbour high biodiversity associated with the dynamic turnover of taxa. Despite flow permanence being widely recognised as an important environmental control, few studies have characterised biotic responses to long‐term hydrological variability in temporary streams. We examined taxonomic and functional macroinvertebrate communities of perennial and nonperennial river reaches over a 26‐year period. Flow permanence resulted in spatial variation in taxonomic and functional macroinvertebrate communities. Nonperennial river reaches, which were characterised by dynamic habitat provision (lotic, lentic, and dry states) over the study period, supported more heterogeneous communities than perennial river reaches. Hydrological variables, in particular wetted width, water depth, and zero‐flow states, were instrumental in structuring taxonomic and functional communities, although the importance of substrate conditions increased in autumn. Hydrological conditions resulted in separation of perennial and nonperennial taxonomic communities regardless of season, whereas functional communities differed only in spring. Our results emphasise that understanding of community responses to hydrological variability is enhanced by analyses that concurrently explore taxonomic and functional responses to long‐term intraannual and interannual hydrological variability. Moreover, functional responses represent a robust method to test ecological responses to hydrological drivers. Further research that builds on our work is needed to inform the protection of both perennial and nonperennial streams as they adapt to ongoing environmental change.
Removal pattern mitigates negative, short‐term effects of stepwise Russian olive eradication on breeding birds
Authors: Valente Jonathon J. , McCune Kelsey B. , Tamulonis Rachel A. , Neipert Elizabeth S. , Fischer Richard A. 
Published: May 2019

AbstractInvasive species can have disastrous ecological consequences, and management is often required to control these invasions and mitigate the damage. Yet in many systems, biological invaders can serve critical ecological roles, particularly where they have been long‐established or effectively replaced functionally similar native species. In such cases, eradicating invasions can have unintended consequences on other components of the ecosystem, and potential control measures must be viewed within an ecosystem‐wide context to ensure they do not cause more harm than good. On the lower Snake River in eastern Washington, invasive Russian olive (Elaeagnus angustifolia) comprises 90% of the woody riparian vegetation in some areas. In this study, we experimentally removed half of the Russian olive from 0.5‐ha plots using three configuration patterns that varied in the amount of interspersion of remaining vegetation (n = 9 replicates) to evaluate the short‐term impact of a stepwise restoration strategy on breeding bird communities. We monitored plots for 5 yr and found that Russian olive removal on low interspersion treatments negatively affected occupancy rates for 50 of 52 species (96%) and significantly reduced richness by up to 2.41 (95% credible interval [CI] = 0.73, 4.14) species relative to control plots. These effects dampened with increasing interspersion, and occupancy rates of only 41 (79%) species decreased on high interspersion treatments, leading to non‐significant richness reductions of only 0.99 (95%CI = −0.70, 2.75) species. Given the dominance of Russian olive in this region, removing it eliminates critical habitat for birds that require woody structure for nesting and foraging. Thus, we caution managers to consider the potential short‐term negative impacts to the local fauna when planning invasive control efforts. However, we found that several riparian‐dependent species known to breed in the region were noticeably absent from our study plots, and short‐term losses in avian habitat may be tolerable where restoration of native vegetation supports greater diversity in the long term. In such restoration efforts, managers may be able to mitigate the negative effects of invasive shrub control by maintaining high interspersion among unmanipulated vegetation while waiting for native vegetation to re‐establish.
Empirical evidence that large marine predator foraging behavior is consistent with area‐restricted search theory
Authors: Bailey H. , Lyubchich V. , Wingfield J. , Fandel A. , Garrod A. , Rice A. N. 
Published: May 2019

AbstractWhen prey is patchily distributed, predators are expected to spend more time searching for food in proximity of recent prey captures before searching in other areas. This behavior, known as area‐restricted search, results in predators remaining localized in areas where prey had been detected previously because of the higher probability of encountering additional prey. However, few studies have tested these predictions on marine species because of the difficulties of observing feeding behavior. In this study, we utilized passive acoustic detections of echolocating dolphins to identify foraging behavior. C‐PODs (click train detectors) were deployed for two years with an acoustic recorder attached to the same mooring during the second year. The time series of feeding buzzes, indicative of foraging behavior, revealed that both bottlenose (Tursiops truncatus) and common dolphins (Delphinus delphis) were more likely to stay in the area longer when foraging activity was high at the beginning of the encounter. The probability of foraging was also higher following previous foraging activity. This suggests that dolphins were feeding on spatially patchy prey and previous foraging experience influenced their movement behavior. This is consistent with the predictions of area‐restricted search behavior, a nonrandom foraging strategy.
Post‐pacemaker implant QRS duration and heart failure admission in patients with sick sinus syndrome and complete atrioventricular block
Authors: Lee Wei‐Chieh , Fang Hsiu‐Yu , Chen Huang‐Chung , Chen Yung‐Lung , Tsai Tzu‐Hsien , Pan Kuo‐Li , Lin Yu‐Sheng , Chen Mien‐Cheng 
Published: May 2019

AbstractAimsHigh demand right ventricular pacing may elicit left ventricular systolic dysfunction known as pacing‐induced cardiomyopathy, increasing the risks of heart failure (HF) hospitalization. Percentage of demand ventricular pacing is different between patients with sick sinus syndrome (SSS) and those with complete atrioventricular block (CAVB). This study aims to compare the incidence of HF admission and pacing‐induced cardiomyopathy between patients with SSS and CAVB.Methods and resultsA total of 824 patients who received single ventricular or dual‐chamber pacemaker implantation at our hospital between January 2003 and December 2012 were recruited for the study. Patients with HF, those without complete cardiac echocardiography, and those with significant coronary artery disease were excluded. Finally, 315 patients with SSS and 289 patients with CAVB were enrolled in this study. The CAVB group had a higher pacing percentage (39.37 ± 9.17% vs. 83.82 ± 33.06%; P < 0.001), longer pacing QRS duration (142.56 ± 33.02 ms vs. 156.63 ± 25.18 ms; P < 0.001), and higher prevalence of follow‐up left ventricular ejection fraction ≤40% (1.3% vs. 4.2%; P = 0.040). However, the incidence of HF admission was similar between the two groups (log‐rank P = 0.647). Age [hazard ratio (HR), 95% confidence interval (CI): 1.121, 1.054–1.193], diabetes mellitus (HR, 95% CI: 2.667, 1.159–6.136), pacing QRS duration ≥163 ms (HR, 95% CI: 3.506, 1.491–8.247), and left atrial size (HR, 95% CI: 1.070, 1.012–1.131) were independent predictors of HF admission. The Kaplan–Meier curve showed a significant difference in HF admission over a 3.5 year follow‐up period (3.5 years: P value = 0.004; 5 years: P value = 0.002) between patients with pacing QRS duration ≥163 and <163 ms.ConclusionsThere was no difference in HF admission between patients with SSS and CAVB, although the CAVB group had a higher pacing percentage. Post‐pacemaker implant pacing QRS duration ≥163 ms was the most important predictor of HF admission.
Investigation of the Formation of Free and Bound 2‐ and 3‐Monochloropropane‐1,2‐Diols During Deep Frying of Leavened Dough Using Response Surface Methodology
Authors: Turan Semra , Solak Rukiye , Keskin Sule 
Published: May 2019

This study aims to determine the effects of frying temperature, frying time, and salt content of dough on free and/or ester‐bound 2‐ and 3‐monochloropropanediols (MCPD) content of leavened dough and frying oil using response surface methodology. According to the results, the amount of ester‐bound 3‐MCPD in fried dough is 4.83–55.00 μg kg−1 dough and free 3‐MCPD is 2.69–50.97 μg kg−1 in fat‐free dough. All process parameters affect the amount of free 3‐MCPD of fried dough significantly (p < 0.05). Moreover, the salt content of the dough does not significantly (p > 0.05) affect the amount of ester‐bound 3‐MCPD in fried dough. Binary interaction of frying temperature and time is significant (p < 0.05) for free and ester‐bound 3‐MCPD content of dough samples. 3‐D plots show that high frying temperature and extended time during deep‐frying result in high levels of free and ester‐bound 3‐MCPD in leavened doughs. A quadratic model is obtained for ester‐bound 2‐MCPD of the fried doughs and frying oil as a function of frying temperature, frying time, and dough salt content. Optimum frying conditions are also determined to minimize generation of MCPD compounds.Practical Applications: Consumption of MCPDs and their esters, which are process contaminants, might adversely affect human health. Therefore, determination of free and ester‐bound MCPD is important in frying oils and fried foods like fried doughs. This research shows the usability of response surface methodology for the investigation of the generation of free and ester‐bound MCPD compounds in fried doughs and frying oil depends on the process conditions. The effects of repeated frying on the content of these contaminants can be demonstrated by quadratic models. To minimize these contaminants during the repeated deep‐frying of leavened doughs, the process conditions should be controlled. The knowledge obtained may provide information about fried‐food safety in terms of MCPD compounds.Fried doughs are consumed in most parts of the world. Frying of leavened dough may lead to the formation of free and ester‐bound 2‐ or 3‐monochloropropanediols (2‐ or 3‐MCPD). In this study, the effects of frying temperature, frying time, and dough salt content on the content of MCPD compounds in leavened doughs and frying oil are investigated using response surface methodology.
Spontaneous imagined contact and intergroup relations: Quality matters
Authors: Stathi Sofia , Guerra Rita , Di Bernardo Gian Antonio , Vezzali Loris 
Published: May 2019

AbstractWhile research on experimental interventions that aim to improve outgroup attitudes via contact imagery grows, it is important to examine if contact imagery that occurs in spontaneous, non‐experimentally controlled conditions drives attitudes, and in what direction. To answer this, we constructed and validated a spontaneous imagined intergroup contact scale (SIICS) that differentiates between frequency, quality and elaboration of the spontaneous imagery of outgroups. In three correlational studies (NPortugal = 305, NUnited Kingdom = 185, NItaly = 276), we tested the role of spontaneous imagined contact frequency, quality and elaboration in predicting attitudes and social distance (Studies 1–3) and intended behaviour (Study 3) toward immigrant groups. Results demonstrated that spontaneous imagined contact quality consistently predicted key outcome variables above and beyond the other two dimensions. Importantly, the effects were significant while controlling for other potent forms of direct and indirect contact. Implications of the findings for theory and practice are discussed.