bluuebunny/crossref_metadata_2025_split huggingface dataset:
Variable infrared emissivity based on polyaniline electrochromic device influenced by porous substrate
Authors: Lu Feifei , Tan Peiyu , Han Yuge 
Published: July 2020

AbstractPolyaniline (PANI) films and its electrochromic devices based on various porous substrates were obtained by electrochemical deposition. The pore size distribution of the porous substrate has shown important influence on the infrared emissivity variation (∆ε) of the device. Morphology and structure of PANI were characterized by scan electronic microscopy (SEM) images and Fourier transform infrared spectra (FTIR). SEM images present the morphology difference of PANI on different substrates, which suggest that large pores will prevent PANI particles from forming orderly and compactly films. FTIR spectrum indicates that pore size of substrates affects the orientation of PANI chains. Furthermore, electrochemical properties and stability of PANI films were analyzed by cyclic voltammetry (CV) curves. And the CV curve revealed that the generation of irreversible degradation products is the reason for poor stability of PANI films. Finally, greatly improved ∆ε of 0.559 in 3–5 μm waveband and 0.39 in 8–14 μm waveband is achieved by choosing a small pore substrate.
A Macrocyclic Peptide Library with a Structurally Constrained Cyclopropane‐containing Building Block Leads to Thiol‐independent Inhibitors of Phosphoglycerate Mutase
Authors: Okuma Rika , Kuwahara Tomoki , Yoshikane Takafumi , Watanabe Mizuki , Dranchak Patricia , Inglese James , Shuto Satoshi , Goto Yuki , Suga Hiroaki 
Published: July 2020

AbstractHere we report the construction of an mRNA‐encoded library of thioether‐closed macrocyclic peptides by using an N‐chloroacetyl‐cyclopropane‐containing exotic initiator whose structure is more constrained than the ordinary N‐chloroacetyl‐α‐amino acid initiators. The use of such an initiator has led to a macrocycle library with significantly suppressed population of lariat‐shaped species compared with the conventional libraries. We previously used a conventional library and identified a small lariat thioether‐macrocycle with a tail peptide with a C‐terminal free Cys whose sidechain plays an essential role in potent inhibitory activity against a parasitic model enzyme, phosphoglycerate mutase. On the other hand, the cyclopropane‐containing macrocycle library has yielded a larger thioether‐macrocycle lacking a free Cys residue, which exhibits potent inhibitory activity to the same enzyme with a different mode of action. This result indicates that such a cyclopropane‐containing macrocycle library would allow us to access mechanistically distinct macrocycles.
Nutrient Sensing by Histone Marks: Reading the Metabolic Histone Code Using Tracing, Omics, and Modeling
Authors: Campit Scott E. , Meliki Alia , Youngson Neil A. , Chandrasekaran Sriram 
Published: July 2020

AbstractSeveral metabolites serve as substrates for histone modifications and communicate changes in the metabolic environment to the epigenome. Technologies such as metabolomics and proteomics have allowed us to reconstruct the interactions between metabolic pathways and histones. These technologies have shed light on how nutrient availability can have a dramatic effect on various histone modifications. This metabolism–epigenome cross talk plays a fundamental role in development, immune function, and diseases like cancer. Yet, major challenges remain in understanding the interactions between cellular metabolism and the epigenome. How the levels and fluxes of various metabolites impact epigenetic marks is still unclear. Discussed herein are recent applications and the potential of systems biology methods such as flux tracing and metabolic modeling to address these challenges and to uncover new metabolic–epigenetic interactions. These systems approaches can ultimately help elucidate how nutrients shape the epigenome of microbes and mammalian cells.
Simultaneous determination of FL118 and W34 in rat Blood by LC–MS/MS: Application to pharmacokinetic studies
Authors: Feng Kun , Zhang Jiayuan , Zhang Yixuan , Jiang Tao , Lv Zhihua , Yu Mingming 
Published: July 2020

AbstractW34 is a prodrug of FL118, and it can be converted to FL118 via a hydrolysis reaction. In this report, a highly sensitive LC–MS/MS method using a C18 column was validated and used for the simultaneous determination of W34 and FL118 in rat blood. A stepwise gradient elution with 0.1% formic acid in water and acetonitrile was employed. The assays were linear over a concentration range of 0.50–50.0 ng/ml for both W34 and FL118. The accuracy of the validation method ranged from 89.74 to 98.94% for W34 and from 88.61 to 94.60% for FL118. The precision was within 7.15% for W34 and 9.63% for FL118. Extraction recoveries of W34 were 94.56–100.49 and 87.67–106.32% for FL118. No significant matrix effects for both W34 and FL118 were observed in blood. The assay has been successfully applied to biological samples obtained from a stability and pharmacokinetic study of W34 and FL118.
Bioprosthetic valve oversizing is associated with increased risk of valve thrombosis following TAVR
Authors: Simpson Timothy F. , Tuohy Craig V. , Rajotte Katherine , Golwala Harsh , Fuss Cristina , Song Howard K. , Zahr Firas , Chadderdon Scott M. 
Published: July 2020

AbstractBackgroundHypoattenuating leaflet thickening (HALT), the radiographic manifestation of transcatheter heart valve thrombosis, is commonly identified following transcatheter aortic valve replacement (TAVR) and associated with increased risk of stroke and structural valve deterioration. While anticoagulation effectively resolves HALT, routine use remains controversial. We aimed to identify hemodynamic, anatomic, and comorbid predictors of HALT.MethodsWe evaluated consecutive patients with severe aortic stenosis who underwent TAVR with Edwards SAPIEN 3 bioprosthesis at a single center between June 1, 2018 and October 30, 2019. Patients on anticoagulation and those receiving valve‐in‐valve were excluded. Clinically driven computed tomography (CT) imaging was performed to assess for HALT at the discretion of the treating valve team.ResultsA total of 78 patients with a mean age of 78 ± 10 years and STS risk score 5.5 ± 3.3% were analyzed. HALT was identified in 11 (14.1%) patients. Compared to controls, those with HALT had smaller annular areas, 435 ± 57 mm2 vs. 489 ± 79 mm2 (p = .032), but received comparable size valves. In multivariate regression, valve oversizing by more than 20% was associated with increased risk of HALT, OR 23.5, 95% CI 2.5–223, (p = .006). After initiation of anticoagulation, patients with HALT had similar rates of stroke, major bleeding, and all‐cause mortality out to an average of 243 days.ConclusionsIn this pragmatic study of patients undergoing TAVR with SAPIEN 3 valves, we report the novel finding that oversizing by more than 20% was independently associated with increased risk of HALT. These findings warrant confirmation in larger and prospective trials.
A case report of rare intraperitoneal cholesteatoma diagnosed and treated through multidisciplinary collaboration
Authors: Jiang Jie , Chu Guang , Chen Gang , Liao Hongyun , Yu Lu , Yu Hongjun , Liu Jie , Hu Zongqiang 
Published: July 2020

Abstract55‐year‐old female patient with abdominal distension and poor appetite for 3 months was diagnosed as intraperitoneal cholesteatoma by imaging findings and histological tests. Patient has received surgical resection and recovered well after operation.
Kinetic and mechanistic study of CO oxidation over nanocomposite Cu−Fe−Al oxide catalysts
Authors: Fedorov Aleksandr , Saraev Andrey , Kremneva Anna , Selivanova Aleksandra , Vorokhta Mykhailo , Šmíd Bretislav , Bulavchenko Olga , Yakovlev Vadim , Kaichev Vasily 
Published: July 2020

AbstractThe oxidation of CO has been studied over Fe−Al and Cu−Fe−Al oxide nanocomposite catalysts prepared by melting of copper, iron, and aluminum nitrates. It was shown that the addition of copper significantly increases the catalytic activity of the Fe−Al nanocomposites. The catalysts were characterized by low‐temperature nitrogen adsorption, X‐ray diffraction (XRD), and X‐ray photoelectron spectroscopy (XPS). It was found that the catalysts contain Fe2O3 with the hematite structure modified by aluminum. Copper in the three‐component catalyst is in the Cu2+ state, forming CuO and CuFeOx clusters on the catalyst surface. An increase in the copper content leads to the formation of a CuxAlyFe3‐x‐yO4 spinel phase. In situ XPS study showed that a treatment of the catalysts in a CO flow leads to the reduction of both copper and iron cations into the metallic state. In contrast, a treatment in a CO/O2 flow leads only to partial reduction of Cu2+ to Cu1+, while Fe3+ are not reduced. The tests of catalytic activity performed in a flow fixed bed reactor using a CO pulse technique showed that the light‐off temperature in the oxidation of CO over the Cu−Fe−Al nanocomposite catalysts depends on the copper content. The minimal light‐off temperature was achieved over the catalyst containing 5 wt% CuO. In addition, we performed kinetic measurements in a differential reactor and obtained the activation energy and the reaction orders with respect to the reactants. The reaction mechanism of the catalytic oxidation of CO and the origin of active species are discussed.
Electrochemical Performance of B‐Type Vanadium Dioxide as a Sodium‐Ion Battery Cathode: A Combined Experimental and Theoretical Study
Authors: Koch Daniel , Petnikota Shaikshavali , Yang Zhou , Srinivasan Madhavi , Manzhos Sergei 
Published: July 2020

AbstractB‐type vanadium dioxide is a frequently investigated lithium‐ion battery material because of its appreciable gravimetric capacity, energy density, rate capability and cycling stability, but investigations of its performance with sodium working metal are scarce. We present a combined experimental‐theoretical study exploring the underlying mechanism of the electrochemical sodiation of B‐type vanadium dioxide. We find agreement between theoretical and experimental results, which complement each other and map out a detailed mechanistic picture. We are able to identify the sluggish diffusion of sodium ions in the vanadium dioxide host material, especially at low concentrations, as a key obstacle to the utilization of the pristine material as a high‐performance cathode for sodium‐ion batteries. Our findings provide context for previously reported results and can be used for a more targeted vanadium dioxide electrode design in the future.
In Situ Spectroelectrochemical Investigation of Potential‐Dependent Changes in an Amphiphilic Imidazolium‐Based Ionic Liquid Film on the Au(111) Electrode Surface
Authors: Sieling Thorben , Brand Izabella 
Published: July 2020

AbstractInvited for this month's cover picture are Thorben Sieling and Izabella Brand from the University of Oldenburg (Germany). The cover picture shows molecular‐scale changes of an amphiphilic imidazolium‐based ionic liquid in a monolayer film on the Au(111) electrode. Read the full text of the Article at 10.1002/celc.202000385.
Biocatalytic Micro‐ and Nanomotors
Authors: Hermanová Soňa , Pumera Martin 
Published: July 2020

AbstractEnzyme‐powered micro‐ and nanomotors are tiny devices inspired by nature that utilize enzyme‐triggered chemical conversion to release energy stored in the chemical bonds of a substrate (fuel) to actuate it into active motion. Compared with conventional chemical micro‐/nanomotors, these devices are particularly attractive because they self‐propel by utilizing biocompatible fuels, such as glucose, urea, glycerides, and peptides. They have been designed with functional material constituents to efficiently perform tasks related to active targeting, drug delivery and release, biosensing, water remediation, and environmental monitoring. Because only a small number of enzymes have been exploited as bioengines to date, a new generation of multifunctional, enzyme‐powered nanorobots will emerge in the near future to selectively search for and utilize water contaminants or disease‐related metabolites as fuels. This Minireview highlights recent progress in enzyme‐powered micro‐ and nanomachines.
Impact of optimizing diagnostic workup and reducing the time to treatment in head and neck cancer
Authors: Schutte Henrieke W. , van den Broek Guido B. , Steens Stefan C. A. , Hermens Rosella P. M. G. , Honings Jimmie , Marres Henri A. M. , Merkx Matthias A. W. , Weijs Willem L. J. , Arens Anne I. J. , van Engen–van Grunsven Adriana C. H. , van Herpen Carla M. L. , Kaanders Johannes H. A. M. , van den Hoogen Frank J. A. , Takes Robert P. 
Published: July 2020

BackgroundTimely and efficient diagnostic workup of patients with head and neck cancer (HNC) is challenging. This observational study describes the implementation of an optimized multidisciplinary oncological diagnostic workup for patients with HNC and its impact on diagnostic and treatment intervals, survival, costs, and patient satisfaction.MethodsAll patients with newly diagnosed HNC who underwent staging and treatment at the Radboud University Medical Center were included. Conventional workup (CW) in 2009 was compared with the fast‐track, multidisciplinary, integrated care program, that is, optimized workup (OW), as implemented in 2014.ResultsThe study included 486 patients with HNC (218 with CW and 268 with OW). The time‐to‐treatment interval was significantly lower in the OW cohort than the CW cohort (21 vs 34 days; P < .0001). The 3‐year overall survival rate was 12% higher after OW (72% in the CW cohort vs 84% in the OW cohort; P = .002). After correction for confounders, the 3‐year risk of death remained significantly lower in the OW cohort (hazard ratio, 1.73; 95% confidence interval, 1.14‐2.63; P = .010). Total diagnostic costs were comparable in the 2 cohorts. The general satisfaction score, as measured with the Consumer Quality Index for Oncological Care, was significantly better in a matched OW group than the CW group (9.1 vs 8.5; P = .007).ConclusionsAfter the implementation of a fast‐track, multidisciplinary, integrated care program, the time‐to‐treatment interval was significantly reduced. Overall survival and patient satisfaction increased significantly, whereas costs did not change. This demonstrates the impact and improved quality of care achieved by efficiently organizing the diagnostic phase of HNC management.
CFD analysis on the effect of combining positive and negative pressure during the irrigation of artificial isthmuses
Authors: Loroño Gaizka , Zaldívar J.M.R. , Jimenez‐Octavio J.R. , Dorado Saul , Arias Ana , Cisneros Rafael 
Published: July 2020

AbstractFluid dynamics generated by irrigation needles have not been deeply analyzed in root canal irregularities such as apical ramifications or isthmus where the cleaning capacity of irrigants might be compromised and hence the treatment outcome. The goal of this study was to compare the key irrigation parameters (flow pattern, irrigant velocity, apical pressure, and shear stress) between two irrigation needles and the additional effect of aspiration cannulas through computational fluid dynamics. A 3D‐model consisting of two canals linked by an isthmus was modeled. The abovementioned needles irrigated the primary canal, whereas an aspiration cannula was located inside the secondary canal. Both the geometry definition and spatial discretization were carried out with ANSYS 16.2, through which six different simulations were performed: lateral exit (LE) needle, frontal exit (FE) needle, LE and cannula in crown (LEC), FE and cannula in crown (FEC), LE and cannula in middle third (LEM), FE and cannula in middle third (FEM). FE and FEM showed that the irrigation flow only passes through the isthmus in the most apical section (maximum irrigant velocity / shear stress = 8.44 m/s / 1628.44 Pa and 8.63 m/s / 1185.69 Pa, respectively). However, the remaining simulations showed the irrigation flow passing through the isthmus twice, through the most apical section first and through the upper part of the isthmus later (maximum irrigant velocity / shear stress = 8.48 m/s / 1298.24 Pa (LE), 8.61 m/s / 1261.36 Pa (LEM), 8.61 m/s / 1355.24 Pa (LEC), 8.59 m/s / 1256.87 Pa (FEC)). Furthermore, the highest velocity values were detected when aspiration cannulas were added.
2H QUOSY 2D‐NMR Experiments in Weakly Aligning Systems: From the Conventional to the Ultrafast Approach
Authors: Gouilleux Boris , Meddour Abdelkrim , Lesot Philippe 
Published: July 2020

AbstractWe describe three anisotropic ultrafast (UF) QUadrupolar Ordered SpectroscopY (QUOSY) 2D‐NMR experiments (referred to as ADUF 2D NMR spectroscopy) designed for recording the 2H homonuclear 2D spectra of weakly aligned (deuterated) solutes in sub‐second experiment times. These new ADUF 2D experiments derive from the Q‐COSY, Q‐resolved and Q‐DQ 2D pulse sequences (J. Am. Chem. Soc. 1999, 121, 5249) and allow the correlation between the two components of each quadrupolar doublet, and then their assignment on the basis of 2H chemical shifts. The UF 2D pulse sequences are analyzed by using the Cartesian spin‐operator formalism for spin I=1 nuclei with a small quadrupolar moment. The optimal experimental/practical conditions as well as the resolution, sensitivity and quantification issues of these ADUF 2D experiments are discussed on comparison to their conventional 2D counterparts and their analytical potentialities. Illustrative ADUF 2D experiments using deuterated achiral/prochiral/chiral solutes in poly‐γ‐benzyl‐L‐glutamate based chiral liquid crystals are presented, as well as the first examples of natural abundance deuterium (ANADUF) 2D spectrum using 14.1 T magnetic field and a basic gradient unit (53 G.cm−1) in oriented solvents.
Design and Derivation of Multi‐Reporter Pluripotent Stem Cell Lines via CRISPR/Cas9n‐Mediated Homology‐Directed Repair
Authors: Dettmer Rabea , Naujok Ortwin 
Published: July 2020

AbstractDuring the past decade, RNA‐guided Cas9 nuclease from microbial clustered regularly interspaced short palindromic repeats (CRISPR/Cas9) has become a powerful tool for gene editing of human pluripotent stem cells (PSCs). Using paired CRISPR/Cas9 nickases (CRISPR/Cas9n) it is furthermore possible to reduce off‐target effects that may typically occur with traditional CRISPR/Cas9 systems while maintaining high on‐target efficiencies. With this technology and a well‐designed homology‐directed repair vector (HDR), we are now able to integrate transgenes into specific gene loci of PSCs in an allele conserving way. In this protocol we describe CRISPR/Cas9n design and homology directed repair vector design, transfection of human pluripotent stem cells and selection and expansion of generated cell clones. © 2020 The Authors.Basic Protocol 1: Repair template design and CRISPR/Cas9n constructionBasic Protocol 2: Transfection of human pluripotent stem cells by electroporationBasic Protocol 3: Genotyping of generated cell clones
Robust FCS Parsing: Exploring 211,359 Public Files
Authors: Bras Anne E. , van der Velden Vincent H. J. 
Published: July 2020

AbstractWhen it comes to data storage, the field of flow cytometry is fairly standardized, thanks to the flow cytometry standard (FCS) file format. The structure of FCS files is described in the FCS specification. Software that strictly complies with the FCS specification is guaranteed to be interoperable (in terms of exchange via FCS files). Nowadays, software interoperability is crucial for eco system, as FCS files are frequently shared, and workflows rely on more than one piece of software (e.g., acquisition and analysis software). Ideally, software developers strictly follow the FCS specification. Unfortunately, this is not always the case, which resulted in various nonconformant FCS files being generated over time. Therefore, robust FCS parsers must be developed, which can handle a wide variety of nonconformant FCS files, from different resources. Development of robust FCS parsers would greatly benefit from a fully fledged set of testing files. In this study, readability of 211,359 public FCS files was evaluated. Each FCS file was checked for conformance with the FCS specification. For each data set, within each FCS file, validated parse results were obtained for the TEXT segment. Highly space efficient testing files were generated. FlowCore was benchmarked in depth, by using the validated parse results, the generated testing files, and the original FCS files. Robustness of FlowCore (as measured by testing against 211,359 files) was improved by re‐implementing the TEXT segment parser. Altogether, this study provides a comprehensive resource for FCS parser development, an in‐depth benchmark of FlowCore, and a concrete proposal for improving FlowCore. © 2020 The Authors. Cytometry Part A published by Wiley Periodicals LLC on behalf of International Society for Advancement of Cytometry.
Large intelligent surfaces: Random waypoint mobility and two‐way relaying
Authors: Pillay Narushan , Xu Hongjun 
Published: July 2020

SummaryIn this paper, we first investigate the effect of mobility via the random waypoint (RWP) mobility model on the performance of nonaccess point (non‐AP) or AP large intelligent surfaces (LISs). The theoretical average bit error probability (ABEP) for each of these LISs under mobility is formulated. The presented formulation is complicated to solve; hence, the trapezoidal approximation is employed. Simulation results serve to validate the ABEP. Second, we investigate a two‐way relaying (TWR) network assisted by non‐AP or AP LISs. A network with two source/destination nodes with a single relay node employing decode‐and‐forward placed between these nodes is considered. The transmission interval is broken into two transmission phases. In the first phase, the two source nodes transmit information blocks to the relay node assisted by LISs. On receiving these information blocks, the relay node decodes the two information blocks and encodes these into a single information block via the use of network coding. In the second phase, the relay node forwards the network‐coded information block to the destination nodes assisted by LISs, where the intended information block is decoded via network coding. The theoretical ABEP is formulated for the proposed non‐AP and AP LIS‐assisted TWR schemes and is validated by simulation results. RWP mobility is also demonstrated for the proposed TWR schemes.
The Milan system for reporting salivary gland cytopathology: A comprehensive review of the literature
Authors: Jalaly Jalal B. , Farahani Sahar J. , Baloch Zubair W. 
Published: July 2020

AbstractBackgroundThe Milan system for Reporting Salivary Gland Cytopathology (MSRSGC) was published in 2018. Since then, many authors have published their institutional experience by retrospectively assigning salivary gland fine‐needle aspiration cases to each of the MSRSGC categories and calculated their risk of malignancy (ROM) accordingly.MethodsWe reviewed all published articles available online in English that used the MSRSGC since or near its publication. We calculated the risk of neoplasm and ROM for each diagnostic category. In addition, the false‐negative and false‐positive rates from all studies were examined.ResultsThirty‐seven articles were identified in the English literature; 2 were published in 2017, 14 in 2018, 18 in 2019, and 3 in 2020. The total number of cases was 16 394, and 8 468 had surgical follow‐up. The mean ROM was 16.9% for category I, 10.5% for category II, 39.3% for category III, 2.9% for category IVa, 39.4% for category IVb, 84.2% for category V, and 97.5% for category VI. The mean false‐negative rate for MSRSGC categories II and IVa was 4.5%. Similarly, the mean false‐positive rate for MSRSGC categories V and VI was 5.1%.ConclusionA tiered classification scheme of MSRSGC is helpful in effectively guiding clinical management of patients with salivary gland lesions. The reported mean ROM for each category in most studies is within the recommended range published by the MSRSGC.