bluuebunny/crossref_metadata_2025_split huggingface dataset:
High precision and accuracy of model‐based RSA for analysis of wrist arthroplasty
Authors: Holm‐Glad Trygve , Reigstad Ole , Tsukanaka Masako , Røkkum Magne , Röhrl Stephan M. 
Published: June 2018

ABSTRACTRadiostereometric analysis (RSA) is a method for measuring micromotion in joint arthroplasties. RSA has never been used in total wrist arthroplasties. We evaluated: (i) the precision of model‐based RSA in total wrist arthroplasties measured in a phantom model and in patients; (ii) the number of bone markers necessary to ensure the precision; and (iii) the accuracy of model‐based RSA in a phantom model. Reverse engineered models of radial and carpal/metacarpal components of two wrist arthroplasties (ReMotion® and Motec®) were obtained by laser scanning. Precision and accuracy of each arthroplasty were analyzed with regards to translation and rotation along the three coordinate axes. Precision was analyzed in 10 phantom and 30 clinical double examinations for each arthroplasty, and was expressed by a repeatability coefficient. The precision of different numbers and configurations of bone markers in the phantom model were compared. Accuracy was tested in a phantom model where the implants were attached to a micrometer, and was defined as the mean difference between measured and true migration. In the phantom model the precision for translations ranged from 0.03 to 0.14 mm and for rotations from 0.18 to 1.52°. In patients the precision for translations ranged from 0.06 to 0.18 mm, and for rotations from 0.32 to 2.18°. Less than four bone markers resulted in inferior precision. Accuracy ranged from −0.06 to 0.04 mm, and from −0.38 to −0.01°. Y‐rotations could not be obtained from the Motec® due to rotational symmetry about the longitudinal axis. We conclude that model‐based RSA in total wrist arthroplasties is precise, accurate, and feasible to use for clinical evaluation of micromotion in wrist arthroplasties. © 2018 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 36:3053–3063, 2018.
Cover Image, Volume 98, Issue 9
Authors: Barkat Noorani , Singh Jashbir , Jayaprakasha Guddadarangavvanahally K , Patil Bhimanagouda S 
Published: June 2018

The cover image, by Noorani Barkat et al., is based on the Research Article Effect of harvest time on the levels of phytochemicals, free radical‐scavenging activity, α‐amylase inhibition and bile acid‐binding capacity of spinach (Spinacia oleracea), DOI: 10.1002/jsfa.8862.
image
Gas‐phase rate coefficients for a series of alkyl cyclohexanes with OH radicals and Cl atoms
Authors: Bejan Iustinian G. , Winiberg Frank A. F. , Mortimer Nicholas , Medeiros Diogo J. , Brumby Charlotte A. , Orr Stephanie C. , Kelly Jamie , Seakins Paul W. 
Published: June 2018

AbstractThe rate coefficients of the reactions of OH radicals and Cl atoms with three alkylcyclohexanes compounds, methylcyclohexane (MCH),trans‐1,4‐dimethylcyclohexane (DCH), and ethylcyclohexane (ECH) have been investigated at (293 ± 1) K and 1000 mbar of air using relative rate methods. A majority of the experiments were performed in the Highly Instrumented Reactor for Atmospheric Chemistry (HIRAC), a stainless steel chamber using in situ FTIR analysis and online gas chromatography with flame ionization detection (GC‐FID) detection to monitor the decay of the alkylcyclohexanes and the reference compounds. The studies were undertaken to provide kinetic data for calibrations of radical detection techniques in HIRAC. The following rate coefficients (in cm3molecule−1s−1) were obtained for Cl reactions:k(Cl+MCH) = (3.51 ± 0.37) × 10–10,k(Cl+DCH) = (3.63 ± 0.38) × 10−10,k(Cl+ECH) = (3.88 ± 0.41) × 10−10, and for the reactions with OH radicals:k(OH+MCH) = (9.5 ± 1.3) × 10–12,k(OH+DCH) = (12.1 ± 2.2) × 10−12,k(OH+ECH) = (11.8 ± 2.0) × 10−12. Errors are a combination of statistical errors in the relative rate ratio (2σ) and the error in the reference rate coefficient. Checks for possible systematic errors were made by the use of two reference compounds, two different measurement techniques, and also three different sources of OH were employed in this study: photolysis of CH3ONO with black lamps, photolysis of H2O2at 254 nm, and nonphotolytictrans‐2‐butene ozonolysis. For DCH, some direct laser flash photolysis studies were also undertaken, producing results in good agreement with the relative rate measurements. Additionally, temperature‐dependent rate coefficient investigations were performed for the reaction of methylcyclohexane with the OH radical over the range 273‐343 K using the relative rate method; the resulting recommended Arrhenius expression isk(OH + MCH) = (1.85 ± 0.27) × 10–11exp((–1.62 ± 0.16) kJ mol−1/RT) cm3molecule−1s−1. The kinetic data are discussed in terms of OH and Cl reactivity trends, and comparisons are made with the existing literature values and with rate coefficients from structure‐activity relationship methods. This is the first study on the rate coefficient determination of the reaction of ECH with OH radicals and chlorine atoms, respectively.
Kinetics of the chromium(III)/l‐glutamic acid complexation reaction: Formation, decay, and UV‐vis spectrum of a long‐lived intermediate
Authors: Perez‐Benito Joaquin F. , Nicolas‐Rivases Joan 
Published: June 2018

AbstractThe kinetics of the aqueous reaction of Cr(III) with either l‐glutamic acid or sodium hydrogen l‐glutamate at pH 2.46‐5.87 have been followed by means of absorbance readings. The rate of formation of the reaction products showed acceleration‐deceleration periods, caused by the accumulation and posterior decay of an intermediate in nonnegligible concentration. A double‐exponential integrated rate law allowed obtaining two rate constants for each absorbance‐time experimental series, associated with the appearance (k1) and decay (k2) of the long‐lived intermediate. An increase of the initial concentrations of either hydrogen l‐glutamate (apparent kinetic orders < 1) or hydroxide (kinetic orders = 1) ions resulted in an increase of both k1 and k2, but addition of an inert electrolyte (KNO3) resulted in opposite effects on k1 (decrease) and k2 (increase). The experimental activation energies were 83 ± 10 (for k1) and 95 ± 5 (for k2) kJ mol−1. The electronic spectrum of the low reactivity detected intermediate resembled more closely to that of the blue/green reactant than that of the violet reaction product. The low number of protons set free by the complexating hydrogen l‐glutamate ligand seems to suggest that some polymerization of the coordinated amino acid (to form a di‐ or tripeptide) might take place. The available experimental data indicate that the coordination of the organic ligand must be preceded by the breakdown of a strong Cr(III)–H2O chemical bond in the slow steps of the mechanism.
Defibrotide for the treatment of hepatic veno‐occlusive disease/sinusoidal obstruction syndrome following nontransplant‐associated chemotherapy: Final results from a post hoc analysis of data from an expanded‐access program
Authors: Kernan Nancy A. , Richardson Paul G. , Smith Angela R. , Triplett Brandon M. , Antin Joseph H. , Lehmann Leslie , Messinger Yoav , Liang Wei , Hume Robin , Tappe William , Soiffer Robert J. , Grupp Stephan A. 
Published: June 2018

AbstractBackgroundHepatic veno‐occlusive disease/sinusoidal obstruction syndrome (VOD/SOS) is a potentially fatal complication of conditioning for hematopoietic stem cell transplantation (HSCT) but can occur after nontransplant‐associated chemotherapy. Following HSCT, VOD/SOS with multi‐organ dysfunction (MOD) may be associated with >80% mortality. Defibrotide is approved to treat severe hepatic VOD/SOS post‐HSCT in patients aged >1 month in the European Union and hepatic VOD/SOS with renal or pulmonary dysfunction post‐HSCT in the United States. Prior to US approval, defibrotide was available to treat VOD/SOS through an expanded‐access treatment (T‐IND) program. A post hoc analysis of nontransplant‐associated VOD/SOS patients treated with defibrotide initiated within 30 days of starting chemotherapy and followed for 70 days is presented.ProcedurePatients were diagnosed by Baltimore or modified Seattle criteria or biopsy, and received defibrotide 25 mg/kg/day in four divided doses (≥21 days recommended).ResultsOf the 1,154 patients in the T‐IND, 137 had nontransplant‐associated VOD/SOS, 82 of whom developed VOD/SOS within 30 days of starting chemotherapy. Of them, 66 (80.5%) were aged ≤16 years. Across all the 82 patients, Kaplan–Meier estimated day +70 survival was 74.1%, 65.8% in patients with MOD (n = 38), and 81.3% in patients without MOD (n = 44). By age group, Kaplan–Meier estimated day +70 survival was 80.1% in pediatric patients (n = 66) and 50.0% in adults (n = 16). Treatment‐related adverse events occurred in 26.8%.ConclusionsIn this post hoc analysis of 82 patients initiating defibrotide within 30 days of starting chemotherapy, Kaplan–Meier estimated survival was 74.1% at 70 days after defibrotide initiation. Safety profile was consistent with prior defibrotide studies.
Method development for binding media analysis in painting cross‐sections by desorption electrospray ionization mass spectrometry
Authors: Watts Kristen E. , Lagalante Anthony F. 
Published: June 2018

RationaleArt conservation science is in need of a relatively nondestructive way of rapidly identifying the binding media within a painting cross‐section and isolating binding media to specific layers within the cross‐section. Knowledge of the stratigraphy of cross‐sections can be helpful for removing possible unoriginal paint layers on the artistic work.MethodsDesorption electrospray ionization mass spectrometry (DESI‐MS) was used in ambient mode to study cross‐sections from mock‐up layered paint samples and samples from a 17th century baroque painting. The DESI spray was raster scanned perpendicular to the cross‐sectional layers to maximize lateral resolution then analyzed with a triple quadrupole mass analyzer in linear ion trap mode. From these scans, isobaric mass maps were created to map the locations of masses indicative of particular binding media onto the cross‐sections.ResultsLine paint‐outs of pigments in different binding media showed specific and unique ions to distinguish between the modern acrylic media and the lipid‐containing binding media. This included: OP (EO)9 surfactant in positive ESI mode for acrylic (m/z 621), and oleic (m/z 281), stearic (m/z 283), and azelaic (m/z 187) acids in negative ESI mode for oil and egg tempera. DESI‐MS maps of mock‐up cross‐sections of layered pigmented binding media showed correlation between these ions and the layers with a spatial resolution of 100 μm.ConclusionsDESI‐MS is effective in monitoring binding media within an intact painting cross‐section via mass spectrometric methods. This includes distinguishing between lipid‐containing and modern binding materials present in a known mock‐up cross‐section matrix as well as identifying lipid‐binding media in a 17th century baroque era painting.
Ion mobility mass spectrometry of saponin ions
Authors: Decroo Corentin , Colson Emmanuel , Lemaur Vincent , Caulier Guillaume , De Winter Julien , Cabrera‐Barjas Gustavo , Cornil Jérôme , Flammang Patrick , Gerbaux Pascal 
Published: June 2018

RationaleSaponins are natural compounds presenting a high structural diversity whose structural characterization remains extremely challenging. Ideally, saponin structures are best established using nuclear magnetic resonance experiments conducted on isolated molecules. However, saponins are also increasingly characterized using tandem mass spectrometry (MS/MS) coupled with liquid chromatography, even if collision‐induced dissociation (CID) experiments are often quite limited in accurately determining the saponin structure.MethodsWe consider here ion mobility mass spectrometry (IMMS) as an orthogonal tool for the structural characterization of saponin isomers by comparing the experimental collisional cross sections (CCSs) of saponin ions with theoretical CCSs for candidate ion structures. Indeed, state‐of‐the‐art theoretical calculations perfectly complement the experimental results, allowing the ion structures to be deciphered at the molecular level.ResultsWe demonstrate that ion mobility can contribute to the structural characterization of saponins because different saponin ions present significantly distinct CCSs. Depending on the nature of the cation (in the positive ion mode), the differences in CCSs can also be exacerbated, optimizing the gas‐phase separation. When associated with molecular dynamics simulations, the CCS data can be used to describe the interactions between the cations, i.e. H+, Na+ and K+, and the saponin molecules at a molecular level.ConclusionsOur work contributes to resolve the relationship between the primary and secondary structures of saponin ions. However, it is obvious that the structural diversity and complexity of the saponins cannot be definitively unraveled by measuring a single numerical value, here the CCS. Consequently, the structural characterization of unknown saponins will be difficult to achieve based on IMMS alone. Nevertheless, we demonstrated that monodesmosidic and bidesmosidic saponins can be distinguished via IMMS.
High‐resolution gas chromatography/mass spectrometry metabolomics of non‐human primate serum
Authors: Misra Biswapriya B. , Bassey Ekong , Bishop Andrew C. , Kusel David T. , Cox Laura A. , Olivier Michael 
Published: June 2018

RationaleMetabolomics analyses using gas chromatography/mass spectrometry (GC/MS)‐based metabolomics are heavily impeded by the lack of high‐resolution mass spectrometers and limited spectral libraries to complement the excellent chromatography that GC platforms offer, a challenge that is being addressed with the implementation of high‐resolution (HR) platforms such as 1D‐GC/Orbitrap‐MS.MethodsWe used serum samples from a non‐human primate (NHP), a baboon (Papio hamadryas), with suitable quality controls to quantify the chemical space using an advanced HRMS platform for confident metabolite identification and robust quantification to assess the suitability of the platform for routine clinical metabolomics research. In a complementary approach, we also analyzed the same serum samples using two‐dimensional gas chromatography/time‐of‐flight mass spectrometry (2D‐GC/TOF‐MS) for metabolite identification and quantification following established standard protocols.ResultsOverall, the 2D‐GC/TOF‐MS (~5000 peaks per sample) and 1D‐GC/Orbitrap‐MS (~500 peaks per sample) analyses enabled identification and quantification of a total of 555 annotated metabolites from the NHP serum with a spectral similarity score Rsim ≥ 900 and signal‐to‐noise (S/N) ratio of >25. A common set of 30 metabolites with HMDB and KEGG IDs was quantified in the serum samples by both platforms where 2D‐GC/TOF‐MS enabled quantification of a total 384 metabolites (118 HMDB IDs) and 1D‐GC/Orbitrap‐MS analysis quantification of a total 200 metabolites (47 HMDB IDs). Thus, roughly 30–70% of the peaks remain unidentified or un‐annotated across both platforms.ConclusionsOur study provides insights into the benefits and limitations of the use of a higher mass resolution and mass accuracy instrument for untargeted GC/MS‐based metabolomics with multi‐dimensional chromatography in future studies addressing clinical conditions or exposome studies.
ESRP1-Induced CD44 v3 Is Important for Controlling Pluripotency in Human Pluripotent Stem Cells
Authors: Kim Young-Dae , Kim Han-Seop , Lee Jungwoon , Choi Jung-Kyun , Han Enna , Jeong Ji E. , Cho Yee S. 
Published: June 2018

Abstract
The importance of alternative splicing (AS) events in pluripotency regulation has been highlighted by the determination of different roles and contributions of different splice isoforms of pluripotency-related genes and by the identification of distinct pluripotency-related splicing factors. In particular, epithelial splicing regulatory protein 1 (ESRP1) has been characterized as an essential splicing factor required for the regulation of human pluripotency and differentiation. Nevertheless, a detailed molecular characterization of ESRP1 (mRNA splice variants 1–6) in human pluripotency is lacking. In this study, we determined that ESRP1 splice variants are differentially expressed in undifferentiated and differentiated human pluripotent stem cells (PSCs). Undifferentiated human PSCs predominantly expressed the ESRP1 v1, v4, and v5, and their expression was downregulated upon differentiation. Ectopic expression of ESRP1 v1, v4, or v5 enhanced the pluripotent reprogramming of human fibroblasts and restored the ESRP1 knockdown-mediated reduction of reprogramming efficiency. Notably, undifferentiated human PSCs expressed the cell surface protein CD44 variant 3 (CD44 v3), and isoform switching from CD44 v3 to CD44 variant 6 (CD44 v6) occurred upon differentiation. Importantly, the human PSC-specific ESRP1 variants influenced CD44 v3 expression. CD44 knockdown or inhibition of binding of CD44 with its major ligand, hyaluronan, significantly induced the loss of human PSC pluripotency and the reduction of reprogramming efficiency. Our results demonstrate that the effect of ESRP1 and CD44 on human PSC pluripotency is isoform-dependent and that ESRP1-induced CD44 v3 is functionally associated with human PSC pluripotency control.
A Prokineticin-Driven Epigenetic Switch Regulates Human Epicardial Cell Stemness and Fate
Authors: Qureshi Rehana , Kindo Michel , Boulberdaa Mounia , Hunolstein Jean-Jacques , Steenman Marja , Nebigil Canan G. 
Published: June 2018

Abstract
Epicardial adipose tissues (EATs) and vascular tissues may both belong to the mesoepithelial lineage that develops from epicardium-derived progenitor cells (EPDCs) in developing and injured hearts. Very little is known of the molecular mechanisms of EPDC contribution in EAT development and neovascularization in adult heart, which the topic remains a subject of intense therapeutic interest and scientific debate. Here we studied the epigenetic control of stemness and anti-adipogenic and pro-vasculogenic fate of human EPDCs (hEPDCs), through investigating an angiogenic hormone, prokineticin-2 (PK2) signaling via its receptor PKR1. We found that hEPDCs spontaneously undergoes epithelial-to-mesenchymal transformation (EMT), and are not predestined for the vascular lineages. However, PK2 via a histone demethylase KDM6A inhibits EMT, and induces asymmetric division, leading to self-renewal and formation of vascular and epithelial/endothelial precursors with angiogenic potential capable of differentiating into vascular smooth muscle and endothelial cells. PK2 upregulates and activates KDM6A to inhibit repressive histone H3K27me3 marks on promoters of vascular genes (Flk-1 and SM22α) involved in vascular lineage commitment and maturation. In PK2-mediated anti-adipogenic signaling, KDM6A stabilizes and increases cytoplasmic β-catenin levels to repress peroxisome proliferator-activated receptor-γ expression and activity. Our findings offer additional molecular targets to manipulate hEPDCs-involved tissue repair/regeneration in cardiometabolic and ischemic heart diseases.
Experimental and numerical studies on ribbed bracing system
Authors: Arzeytoon Ali , Toufigh Vahab 
Published: June 2018

SummaryRibbed bracing system (RBS) is an innovative structural system designed to eliminate the buckling of braces and enhance the behavior of structures under seismic loads. In this study, a collaborative performance of 2 RBS devices bracing a frame was assessed numerically and experimentally. In the numerical phase, the collaboration of ribbed braces at various stages of reversal loading was elaborated mathematically and was used for representing the system using finite element modeling. In the next phase, the numerically observed behavior was validated experimentally by conducting cyclic quasistatic tests of the proposed configurations. Two alternative RBS configurations—called completely closed (CC) and improved centering (IC)—were considered in this regard. Various characteristics of CC‐ and IC‐RBS configurations were evaluated using validated methods, after which they were compared against configurations of concentrically braced frames and buckling‐restrained braces. The stiffness and the energy absorption capacity of CC‐RBS configuration were shown to exceed all the considered bracing types. IC‐RBS, on the other hand, showed the lowest residual drift. The CC‐RBS configuration was also shown to have excellent performance under moderate loadings experienced under service level.
Ion effect on the dynamics of water hydrogen bonding network: A theoretical and computational spectroscopy point of view
Authors: Zhang Qiang , Pan Zhijun , Zhang Lu , Zhang Ruiting , Chen Zhening , Jin Tan , Wu Tianmin , Chen Xian , Zhuang Wei 
Published: June 2018

Understanding the elementary hydration dynamics of the ions and their couplings with the aqueous environments is important for researches in fields including energy, molecular biology, biomedical sciences, and chemical reactions. The concept of hydration shell is ubiquitously used to rationalize the differences of water behavior near the ions with respect to those in the bulk water. One intriguing issue, however, is to decide the spatial range of these hydration shells. Different experimental spectroscopic techniques such as the femtosecond infrared at high frequency and optical Kerr effect, dielectric relaxation, as well as terahertz measurements at low frequency often give controversial indications on this matter. As the optical transition observables provided by the spectroscopic measurements only indirectly reflect the real‐space structure and dynamics information, the theoretical modeling of these signals is often desired in order to reveal the underlying physics in each of these measurements, and to understand the aforementioned apparent controversy. In this review, we outline recent progresses in the theoretical modeling of water dynamics around the ions and ionic moieties and the related vibrational spectroscopy, especially on the femtosecond infrared related single molecular water reorientation and the low‐frequency vibrational spectra related collective water dynamics.This article is categorized under:
Theoretical and Physical Chemistry > Spectroscopy
Theoretical and Physical Chemistry > Statistical Mechanics
Fracture of wind turbine blades in operation—Part I: A comprehensive forensic investigation
Authors: Chen Xiao 
Published: June 2018

AbstractThe structural integrity of rotor blades is crucial to ensuring continuous power production of wind turbines. Catastrophic blade fracture can cause significant economic loss and social impact and thereby should be prevented. It is important to understand the structural failure of rotor blades particularly during their normal operation. This study presents a comprehensive forensic investigation into fracture of 2 rotor blades in the field. The investigation is carried out synthetically taking into account interactive aspects associated with operational loads, materials, manufacturing processes, and structural design. The supervisory control and data acquisition data are analyzed to understand the turbine response with damaged blades. A detailed post‐mortem investigation is carried out at structural, subcomponent, and material levels both in field and in laboratory from a forensic perspective. Different manufacturing‐induced defects are examined using X‐ray computed tomography, and they are discussed in the context of the current manufacturing and design practices. Evidences from macroscopic failure features and microscopic fractographic morphologies are collected, analyzed, and correlated in order to identify the underlying mechanisms of blade fracture. Practices are recommended to improve structural integrity of rotor blades during their entire life cycles.