bluuebunny/crossref_metadata_2025_split huggingface dataset:
Minimum Cross Diameter for C6–C10 Aromatic Compounds
Authors: Gonçalves Jonathan C. , Ferreira Alexandre F. P. , Rodrigues Alírio E. 
Published: March 2019

AbstractThe minimum cross diameter of organic species is highly important in catalyst and adsorbent design. In the aromatics industry, the size of the desired compound is the cornerstone of the commonly known shape‐selective processes. In spite of the paramount importance of the said sizes, information in the literature is scarce and inconsistent. A thorough methodology was developed using the commercial software ChemBio3D Ultra. The minimum cross diameter of 21 aromatic compounds was calculated including benzene, toluene, ethylbenzene, xylene isomers, ethyltoluene isomers, diethylbenzene isomers, ethylxylene isomers, and trimethylbenzene isomers.
Simulation of Turbulent Emulsification in a Sonolator Mixer: Interpretation of Drop Breakage Time
Authors: Bagkeris Ioannis , Michael Vipin , Prosser Robert , Kowalski Adam J. 
Published: March 2019

AbstractThe simulation of dilute emulsions in a model ACIP2 Sonolator is investigated using computational fluid dynamics and population balance methods. Two breakage frequency models are used that differ in the expression of the drop breakage time. Drop breakage modeling based on homogenous isotropic turbulence (HIT) shows poor agreement of the Sauter mean diameter when compared to the experiments; simulations with the empirical model from Alopaeus et al. yield better agreement. By perturbing the classical HIT spectrum, it is shown that the breakage time in the empirical model corresponds to a non‐isotropic energy spectrum. Such spectra have been observed in the non‐isotropic near field in a model A Sonolator, which provides a plausible explanation of why the empirical model performs better than the HIT‐based model.
Robust NiCo2O4/Superactivated Carbon Aqueous Supercapacitor with High Power Density and Stable Cyclability
Authors: Panja Tandra , Díez Noel , Mysyk Roman , Bhattacharjya Dhrubajyoti , Goikolea Eider , Carriazo Daniel 
Published: March 2019

AbstractHerein, we investigate the performance of an aqueous asymmetric supercapacitor (AAS) assembled by using novel nanostructured NiCo2O4 as the positive electrode and a polymer‐derived superactivated carbon (SAC) as the negative electrode. The combination of both the nanostructured NiCo2O4 and the carbon with hierarchical porosity and ultrahigh specific surface area (above 3000 m2 g−1) led to excellent rate performances and long stability of the system. The optimization of the AAS device is further achieved through the variation of mass ratio between positive and negative electrodes. The optimized AAS full cell exhibits reversibility within the 0.0–1.5 V operative voltage region, delivering a specific cell capacity of 24.6 mAh g−1 at a current density of 1 A g−1. This results in a remarkable energy density of 13 Wh kg−1 at a power density of 26.2 kW kg−1 and an excellent cycling durability above 87 % of the initial capacity after 10,000 charge–discharge cycles.
Sensitivity limits for determining 1:1 binding constants from spectrophotometric titrations via global analysis
Authors: Kazmierczak Nathanael P. , Chew Joyce A. , Michmerhuizen Anna R. , Kim Seong Eun , Drees Zachary D. , Rylaarsdam Andrew , Thong Tasha , Van Laar Luke , Vander Griend Douglas A. 
Published: March 2019

Monte Carlo simulations on UV‐vis titration data quantify how the precision of binding constant calculation deteriorates in strong binding regimes. For 1:1 binding, global analysis is reliable whenK[H]o < 1000, a significant improvement over previous recommendations. Initial concentration error generates the majority of the error in the calculated binding constant. We derive a novel experimental design formula to maximize binding constant precision over both strong and weak binding regimes and validate it through Monte Carlo simulations.
Efficient 1,3‐Oxazolidin‐2‐one Synthesis through Heterogeneous PdII‐Catalyzed Intramolecular Hydroamination of Propargylic Carbamates
Authors: Oschmann Michael , Placais Clotilde , Nagendiran Anuja , Bäckvall Jan‐E. , Verho Oscar 
Published: March 2019

AbstractHerein, we present an operationally simple protocol for the cycloisomerization of propargylic carbamates in which a heterogeneous catalyst consisting of Pd species immobilized on amino‐functionalized siliceous mesocellular foam (PdII‐AmP‐MCF) is used. This Pd nanocatalyst displayed high efficiency at low catalyst loading and reaction temperatures, which allowed for the efficient and mild synthesis of a wide range of 1,3‐oxazolidin‐2‐one derivatives and related compounds. Moreover, it proved possible to re‐use the Pd nanocatalyst for several reactions, although a gradual decrease in activity was observed in the subsequent cycles.
Regiodivergent and Stereospecific Aziridine Opening by Copper‐Catalyzed Addition of Silicon Grignard Reagents
Authors: Yi Hong , Oestreich Martin 
Published: March 2019

AbstractA stereospecific ring opening of various 2‐aryl‐substituted aziridines with silicon Grignard reagents under copper catalysis is reported. The regiochemical outcome is governed by the steric demand of the silicon nucleophile. The LiCl introduced with the magnesium reagent R3SiMgX⋅2 LiCl is shown to enhance the SN2‐type displacement of the carbon‐nitrogen bond by coordination to the aziridine nitrogen atom.
Clinical impact of using a more sensitive troponin assay in patients with acute chest pain
Authors: Wang Guangmei , Wang Jiali , Wu Shuo , Zheng Wen , Zhang He , Ma Jingjing , Zheng Jiaqi , Xu Feng , Chen Yuguo 
Published: March 2019

BackgroundMore sensitive troponin assays have the potential to better evaluate patients with suspected acute coronary syndrome (ACS). Meanwhile, they may result in avoidable diagnostic testing.HypothesisOur aim was to determine the clinical impact of implementing a more sensitive cardiac troponin I (cTnI) assay in patients with acute non‐traumatic chest pain presenting to the emergency department (ED).MethodsThis is a pre‐post cohort study. A total of 1201 consecutive patients with acute non‐traumatic chest pain or equivalent ischemic symptoms suggestive of ACS were allocated to two groups according to the cTnI assay used. The outcomes included the ED length of stay (LOS), hospital admission rate, the use of procedures and the incidence of major adverse cardiac events (MACE) at 30 days.ResultsThe introduction of the more sensitive troponin assay shortened ED LOS (odds ratio [OR] 0.39, 95% confidence interval [CI] 0.28‐0.54) regarding patients discharged home directly, increased the hospital admission rate (OR 1.43, 95% CI 1.12‐1.84), the use of echocardiography (OR 1.58, 95% CI 1.22‐2.06), coronary computed tomography angiography (OR 1.78, 95% CI 1.04‐3.06), coronary angiography (OR 1.53, 95% CI 1.10‐2.12) and percutaneous coronary intervention (OR 2.42, 95% CI 1.58‐3.70) regarding patients discharged or admitted. The incidence of MACE did not decrease significantly (OR 0.61, 95% CI 0.27‐1.37).ConclusionsThe introduction of the more sensitive troponin assay appeared to result in less time spent in the ED regarding patients discharged home directly, but prompted more hospitalizations and procedures without impacting the incidence of MACE.
Image‐based modeling of blood flow in cerebral aneurysms treated with intrasaccular flow diverting devices
Authors: Mut Fernando , Chung Bong Jae , Chudyk Jorge , Lylyk Pedro , Kadirvel Ramanathan , Kallmes David F. , Cebral Juan R. 
Published: March 2019

AbstractModeling the flow dynamics in cerebral aneurysms after the implantation of intrasaccular devices is important for understanding the relationship between flow conditions created immediately posttreatment and the subsequent outcomes. This information, ideally available a priori based on computational modeling prior to implantation, is valuable to identify which aneurysms will occlude immediately and which aneurysms will likely remain patent and would benefit from a different procedure or device.In this report, a methodology for modeling the hemodynamics in intracranial aneurysms treated with intrasaccular flow diverting devices is described. This approach combines an image‐guided, virtual device deployment within patient‐specific vascular models with an immersed boundary method on adaptive unstructured grids. A partial mesh refinement strategy that reduces the number of mesh elements near the aneurysm dome where the flow conditions are largely stagnant was compared with the full refinement strategy that refines the mesh everywhere around the device wires.The results indicate that using the partial mesh refinement approach is adequate for analyzing the posttreatment hemodynamics, at a reduced computational cost. The results obtained on a series of four cerebral aneurysms treated with different intrasaccular devices were in good qualitative agreement with angiographic observations.Promising results were obtained relating posttreatment flow conditions and outcomes of treatments with intrasaccular devices, which need to be confirmed on larger series.
Recovering spectral reflectance based on natural neighbor interpolation with model‐based metameric spectra of extreme points
Authors: Chou Tzren‐Ru , Hsieh Chi‐Heng , Chen En 
Published: March 2019

AbstractIn this article, we proposed a new method based on natural neighbor interpolation to recover the spectral reflectance of objects from an image captured by a traditional Red‐Green‐Blue (RGB) digital camera. The concept of model‐based metameric spectra of eight extreme points in the standard RGB (sRGB) color gamut was further introduced to ensure that almost all test samples in the entire gamut can be simply and properly recovered without needing the extrapolation or any other auxiliary techniques. The quasi‐Newton method was used to estimate iteratively the optimal parameters of these metameric spectra, satisfying the constraints of the gamut extreme points. Several experiments were performed. The effectiveness of the method with and without the metameric spectra was evaluated, including some performance comparisons with the principal component analysis (PCA) method of transformational type (classic PCA and weighted PCA) and that of interpolation type. The results showed that the proposed method greatly enlarged the accurately applicable domain of the interpolation strategy and offered spectra with feasibility and naturalness much superior to the PCA‐based methods. The proposed method was obviously better than the conventional interpolation ones, and had a similar performance with the weighted PCA method in terms of color difference.
A Robust Inverse Scattering Transform for the Focusing Nonlinear Schrödinger Equation
Authors: Bilman Deniz , Miller Peter D. 
Published: March 2019

AbstractWe propose a modification of the standard inverse scattering transform for the focusing nonlinear Schrödinger equation (also other equations by natural generalization) formulated with nonzero boundary conditions at infinity. The purpose is to deal with arbitrary‐order poles and potentially severe spectral singularities in a simple and unified way. As an application, we use the modified transform to place the Peregrine solution and related higher‐order “rogue wave” solutions in an inverse‐scattering context for the first time. This allows one to directly study properties of these solutions such as their dynamical or structural stability, or their asymptotic behavior in the limit of high order. The modified transform method also allows rogue waves to be generated on top of other structures by elementary Darboux transformations rather than the generalized Darboux transformations in the literature or other related limit processes. © 2019 Wiley Periodicals, Inc.
Validation of the Serbian version of the Metacognitions Questionnaire‐30 in nonclinical and clinical samples
Authors: Marković Vuk , Purić Danka , Vukosavljević‐Gvozden Tatjana , Begović Aleksandar 
Published: March 2019

AbstractThe Metacognitions Questionnaire (MCQ‐30) is a brief multidimensional measure used for assessment of metacognitive beliefs in psychopathology. The aim of this study was to assess the psychometric properties of MCQ‐30 in Serbian nonclinical (n = 246) and clinical (n = 171; anxiety and depressive disorders) samples. The reliability of the questionnaire and its subscales was satisfactory. An exploratory factor analysis yielded a five‐factor solution in both groups, whereas a confirmatory factor analysis showed a somewhat weaker fit of the model. The MCQ‐30 showed positive associations with measures of anxiety, pathological worry, depressive, and obsessive–compulsive symptoms in both samples, demonstrating adequate convergent validity. The instrument was sensitive to differences in metacognitive beliefs between nonclinical and clinical samples. MCQ‐30 subscales showed incremental contributions in predicting pathological worry after controlling for the variance in obsessive–compulsive symptoms and vice versa. Our results suggest that the MCQ‐30 is a reliable and valid instrument for assessing metacognitive beliefs in both nonclinical and clinical samples. Moreover, the findings support the use of the MCQ‐30 in Serbian population and extend support for the metacognitive model.
A Robust, Broadly Absorbing Fulgide Derivative as a Universal Chemical Actinometer for the UV to NIR Region
Authors: Reinfelds Matiss , Hermanns Volker , Halbritter Thomas , Wachtveitl Josef , Braun Markus , Slanina Tomáš , Heckel Alexander 
Published: March 2019

AbstractA fulgide photoswitch is presented as a novel actinometer for a broad range of wavelengths from the UV to the NIR region (340–700 nm). It is easily accessible and has a robust photochemistry and high fatigue resistance. Its photophysics and photochemistry are described in detail. Quantum yields of photoswitching were measured for a series of wavelengths and standardized against known standards (ferrioxalate actinometry, calibrated photodiode). We also present a method for the precise determination of photoswitching quantum yields by global analysis of the whole spectra and an alternative quick and easy method for rapid determination of photon fluxes.
Green human resource management and job pursuit intention: Examining the underlying processes
Authors: Chaudhary Richa 
Published: March 2019

AbstractThe present study was conducted with an objective to illuminate the complex psychological mechanisms underlying the relationship of green human resource management (GHRM) with job pursuit intention (JPI) of potential applicants. Specifically, a sequential mediation model linking GHRM with JPI through organizational prestige (OP) and organizational attractiveness (OA) was proposed using arguments from theories of signaling and social identity. A sample of 172 students enrolled in the final year of a Bachelors in Technology program at one of the leading technology institutes in India was used to empirically validate the hypotheses. Results largely provided support for the proposed hypotheses. OP and OA sequentially mediated the effect of GHRM on JPI. By offering an understanding of complex microlevel processes through which GHRM shapes prospective applicants' JPI, the study advances the understanding on human element of environmental management and provides a foundation for designing effective GHRM systems.
A review of corporate social responsibility in developed and developing nations
Authors: Sharma Eliza 
Published: March 2019

AbstractCorporate social responsibility (CSR) is the gateway for corporations to combine business with ethics and is needed to expand the focus of a corporation beyond merely its own profit line. The present paper is a theoretical discussion on these practices through a critical study of research literature. Researcher seeks to discuss the meaning of CSR, before focusing on the presence and significance of CSR in developed and developing nations. There are similarities between CSR trends in the two distinct fields such as emotion‐oriented CSR programs and use of media for corporate image building. In contrast, major differences can be found in the role of governments among developed and developing countries in relation to CSR activities. Finally, the researcher also presents a look into the impact of CSR in shaping future progress for developing countries. The paper is purely a reflection and comparative review of existing research literature from various countries in the world.
Self‐Enhancing H2 Evolution from TiO2 Nanostructures under Illumination
Authors: Wierzbicka Ewa , Zhou Xuemei , Denisov Nikita , Yoo JeongEun , Fehn Dominik , Liu Ning , Meyer Karsten , Schmuki Patrik 
Published: March 2019

AbstractIllumination of anatase in an aqueous methanolic solution leads to the formation of Ti3+ sites that are catalytically active for the generation of dihydrogen (H2). With increasing illumination time, a light‐induced self‐amplification of the photocatalytic H2 production rate can be observed. The effect is characterized by electron paramagnetic resonance (EPR) spectroscopy, reflectivity, and photoelectrochemical techniques. Combined measurements of H2 generation rates and in situ EPR spectroscopic observation over the illumination time with AM 1.5G or UV light establish that the activation is accompanied by the formation of Ti3+ states, which is validated through their characteristic EPR resonance at g=1.93. This self‐activation and amplification behavior can be observed for anatase nanoparticles and nanotubes.
How Clinical Flow Cytometry Rebooted Sepsis Immunology
Authors: Monneret Guillaume , Gossez Morgane , Aghaeepour Nima , Gaudilliere Brice , Venet Fabienne 
Published: March 2019

AbstractOn May 2017, the World Health Organization (WHO) recognized sepsis as a global health priority by adopting a resolution to improve the prevention, diagnosis, and management of this deadly disease. While it has long been known that sepsis deeply perturbs immune homeostasis by inducing a tremendous systemic inflammatory response, pivotal observations based on clinical flow cytometry indicate that sepsis indeed initiates a more complex immune response that varies over time, with the concomitant occurrence of both pro‐ and anti‐inflammatory mechanisms. As a resultant, some septic patients enter a stage of protracted immunosuppression. This paved the way for immunostimulation approaches in sepsis. Clinical flow cytometry permitted this evolution by drawing a new picture of pathophysiology and reshaping immune trajectories in patients. Additional information from cytometry by time of flight mass cytometry and other high‐dimensional flow cytometry platform should rapidly enrich our understanding of this complex disease. This review reports on landmarks of clinical flow cytometry in sepsis and how this single‐cell analysis technique permitted to breach the wall of decades of unfruitful anti‐inflammatory‐based clinical trials in sepsis. © 2019 International Society for Advancement of Cytometry
8‐Hydroxyquinolines are bactericidal against Mycobacterium tuberculosis
Authors: Odingo Joshua O. , Early Julie V. , Smith Jake , Johnson James , Bailey Mai A. , Files Megan , Guzman Junitta , Ollinger Juliane , Korkegian Aaron , Kumar Anuradha , Ovechkina Yulia , Parish Tanya 
Published: March 2019

ABSTRACTThere is an urgent need for new treatments effective against Mycobacterium tuberculosis, the causative agent of tuberculosis. The 8‐hydroxyquinoline series is a privileged scaffold with anticancer, antifungal, and antibacterial activities. We conducted a structure–activity relationship study of the series regarding its antitubercular activity using 26 analogs. The 8‐hydroxyquinolines showed good activity against M. tuberculosis, with minimum inhibitory concentrations (MIC90) of <5 μM for some analogs. Small substitutions at C5 resulted in the most potent activity. Substitutions at C2 generally decreased potency, although a sub‐family of 2‐styryl‐substituted analogs retained activity. Representative compounds demonstrated bactericidal activity against replicating M. tuberculosis with >4 log kill at 10× MIC over 14 days. The majority of the compounds demonstrated cytotoxicity (IC50 of <100 μM). Further development of this series as antitubercular agents should address the cytotoxicity liability. However, the 8‐hydroxyquinoline series represents a useful tool for chemical genomics to identify novel targets in M. tuberculosis.
Diabetic kidney disease: A systematic review on the role of epigenetics as diagnostic and prognostic marker
Authors: Singh Sangeeta , Sonkar Satyendra Kumar , Sonkar Gyanendra Kumar , Mahdi Abbas Ali 
Published: March 2019

AbstractDiabetic kidney disease is one of the most serious microvascular complications and among the leading causes of end stage renal disease. Persistently increasing albuminuria has been considered to be the central hallmark of nephropathy. However, albuminuria can indicate kidney damage for clinicians; it is not a specific biomarker for prediction of diabetic kidney disease prior to the onset of this devastating complication, and in fact all individuals with microalbuminuria do not progress to overt nephropathy. Controlled glycemia is unable to prevent nephropathy in all diabetic individuals indicating the role of other factors in progression of diabetic kidney disease.There are numerous cellular and molecular defects persisting prior to appearance of clinical symptoms. So, there is an urgent need to look for easy, novel, and accurate way to detect diabetic kidney disease prior to its beginning or at the infancy stage so that its progression can be slowed or arrested.It is now accepted that initiation and progression of diabetic kidney disease are a result of complex interactions between genetic and environmental factors. Environmental signals can alter the intracellular pathways by chromatin modifiers and regulate gene expression patterns leading to diabetes and its complications. In the present review, we have discussed a possible link between aberrant DNA methylation and altered gene expression in diabetic kidney disease. Drugs targeting to reverse epigenetic alteration can retard or stop the development of this devastating disease, just by breaking the chain of events occurring prior to the development of this microvascular complication in patients with diabetes.