bluuebunny/crossref_metadata_2025_split huggingface dataset:
Seeking Grace in the Chasm:
Authors: Heeder Megan 
Published: September 2021

A hermeneutic of unity between beauty and virtue, inspired by the work of Gregory of Nazianzus, offers a way to seek the Holy Spirit’s presence in the apparent chasm between the church and the secular realm. This paper describes beauty’s role in Gregory of Nazianzus’ poetry and orations and analyzes how adopting Gregory’s hermeneutic of unity between beauty and virtue can strengthen the church’s relationship with the secular sphere. The paper’s second part draws on Karl Rahner’s conception of the anonymous Christian to detail how a willingness to recognize virtue’s beauty in the public sphere can open the ecclesial community to the Holy Spirit’s movement both within and beyond the church.
The Küme Mongen and the Reign of God
Authors: Del Villar M. Soledad 
Published: September 2021

This paper attempts to offer a theological reflection that compares two concepts from two different religious traditions that deal with a similar concern: guiding humanity and the cosmos to flourishing and abundant life. On the one hand, I will consider the Küme Mongenthat comes from the Mapuche people of Chile and Argentina. On the other hand, I will consider the concept of the reign of God, so central to the Gospels and re-articulated frequently in Christology, specifically, Latin-American liberation theology. First, I will explain the context from which Küme Mongenemerges and give an account of the central ideas of this concept. Second, I will give an account of the treatment of the reign of God in J.A. Pagola and J. Sobrino’s Christology. Finally, I will explore the possible connections between the Mapuche vision of fruitful life and the Kingdom of God, opening possible paths for mutual learning and understanding between the Mapuche and the Christian religious traditions.
Green Purchase Behaviour: A Move towards Environmental Sustainability- An Application of Interpretive Structural Modeling (ISM)
Authors: Jeevitha J. , Hemalatha S. , Lavanya S. Moghana , Anandhi V. 
Published: September 2021

Green purchase behaviour refers to the purchase of environmental friendly products. It is considered to be one of the most important measures to attain environmental sustainability. Present study aims towards identifying factors influencing green purchase behaviour and to establish a relationship between the factors. Using Interpretive Structural Modeling (ISM), a hierarchical structure has been extracted illustrating the contextual relationship between the factors. Environmental knowledge occupied the lowest form of the hierarchy which is found to be the basis for green purchase behaviour. MICMAC analysis has been applied to group the factors according to their driving power and dependency. Environmental knowledge, environmental concern, eco-labelling, product quality, and brand image have a strong driving power towards green purchasing behaviour. Green purchase intention and green purchase behaviour are highly dependent on other factors.
A framework for developing community‐focused medical physics outreach programs
Authors: Santoso Andrew P. , Jupitz Sydney , Lin Christie 
Published: September 2021

AbstractPurposeIn STEM education and careers, underrepresented minorities (URMs) experience higher attrition than non‐URM counterparts. Informal educational experiences, such as outreach, have been identified to increase URM awareness and enrollment in STEM. The objectives of this work were to (1) elucidate the current state of racial and ethnic diversity in medical physics and (2) provide a community‐focused framework for building effective outreach programs geared toward K‐12 URM students and their families.MethodsSelf‐reported racial and ethnic identity data from the American Association of Physicists in Medicine (AAPM) members were obtained to identify the percentage of URM members. Outreach programming was developed for home or away events. Home events occurred at the University of Wisconsin–Madison Department of Medical Physics; away events occurred at public community institutions that served URM and economically disadvantaged populations. Demonstrations, hands‐on activities, and presentations covered radiation detection, radiotherapy, medical imaging, and medical physics career paths. High school students were asked about their awareness of medical physics prior to outreach events. Likert‐scale surveys evaluated student level of agreement (1 = Strongly disagree to 5 = Strongly agree) that home events increased their career interests in medicine and physics and interest in pursuing STEM coursework.ResultsAverage percentage of AAPM URM members was 10.7% from 2014 to 2020. From 2016 to 2020, 42 outreach events occurred near or within the Madison metro area. Over 1900 individuals participated in outreach events, with 50 participants on average per event. The majority of home event participants indicated their interest in medical careers increased (65.4%) and were inspired to pursue more STEM courses (73.1%) after the program.ConclusionsOur medical physics outreach program demonstrates a means of increasing awareness and interest around medical physics, particularly for underrepresented individuals. This article addresses gaps in the literature for how to create and implement effective, community‐focused medical physics outreach programs.
Tunable Toroidal Response in a Reconfigurable Terahertz Metamaterial
Authors: Chen Chunxu , Kaj Kelson , Huang Yuwei , Zhao Xiaoguang , Averitt Richard D. , Zhang Xin 
Published: September 2021

AbstractCompared with the traditional electric and magnetic multipoles, the existence of a dynamic toroidal moment has received increasing interest in recent years. This is due to its novel electromagnetic response, including dynamic non‐radiating charge‐current configurations and non‐reciprocal interactions. Reconfigurable terahertz metamaterials where artificial toroidal metamolecules and traditional microelectromechanical systems bi‐material cantilever structures are integrated within the same unit cell are presented. Through modification of the bending angle by thermal actuation, the toroidal dipole intensity increases by five orders of magnitude in the out‐of‐plane direction with an overall increase in the toroidal intensity of nearly an order of magnitude. Terahertz time‐domain spectroscopy is used to determine the evolution of the transmission as a function of the bending angle. This enables numerical confirmation of the toroidal response using multipole decomposition with additional confirmation provided by phase analysis. The results demonstrate the use of bi‐material cantilevers to realize a tunable toroidal moment with potential applications in sensing and next‐generation communication technologies.
Molecular thermodynamics for amino‐acid adsorption at inorganic surfaces
Authors: Gallegos Alejandro , Wu Jianzhong 
Published: September 2021

AbstractThe interaction of polypeptides and proteins with an inorganic surface is intrinsically dependent on the interfacial behavior of amino acids and sensitive to solution conditions such as pH, ion type, and salt concentration. A faithful description of amino‐acid adsorption remains a theoretical challenge from a molecular perspective due to the strong coupling of local thermodynamic nonideality and inhomogeneous ionization of both the adsorbate and substrate. Building upon a recently developed coarse‐grained model for natural amino acids in bulk electrolyte solutions, here we report a molecular theory to predict amino‐acid adsorption on ionizable inorganic surfaces over a broad range of solution conditions. In addition to describing the coupled ionization of amino acids and the underlying surface, the thermodynamic model is able to account for both physical binding and surface associations such as hydrogen bonding or bidentate coordination. It is applicable to all types of natural amino acids regardless of the solution pH, salt type and concentration. The theoretical predictions have been validated by extensive comparison with experimental data for the adsorption of acidic, basic, and neutral amino acids at rutile (α‐TiO2) surfaces.
Theoretical Study on NHC−Ag(I)/Au(I) Catalyzed Mobius Versus Wagner‐Meerwein Rearrangements of 2‐Methyl‐N‐methoxyaniline
Authors: Huang Guanglong , Fang Yu‐Qi , Ni Shao‐Fei , Li Ming‐De , Dang Li 
Published: September 2021

AbstractA theoretical investigation on Mobius and Wagner‐Meerwein rearrangements of 2‐methyl‐N‐methoxyaniline catalyzed by NHC−Ag(I)/Au(I) catalysis is presented in this work, which reveals that the reaction mechanism depends on the oxidative state tendency of the metal center. The calculated results show that Ag+/Au+catalyzed rearrangements of 2‐methyl‐N‐methoxyaniline undergo three main steps: the cleavage of the N−O bond via oxidative addition, stepwise methoxy Mobius rearrangements, and the stepwise 1,2‐proton transfer from phenyl ring to amine to restore aromaticity of phenyl ring. We find that both the methoxy Mobius rearrangement and the following stepwise 1,2‐proton transfer are the rate‐determining steps of the whole reaction in the NHC−Ag(I)/Au(I) catalysis systems. Based on our computational results, we predict that 2‐methyl‐N‐methoxyaniline catalyzed by NHC−Ag(I)/Au(I) may produce 2‐methyl‐6‐methoxyaniline as the major product, which is a double‐ortho‐ and multi‐substituted aniline.
Seizures after Ischemic Stroke: A Matched Multicenter Study
Authors: Ferreira‐Atuesta Carolina , Döhler Nico , Erdélyi‐Canavese Barbara , Felbecker Ansgar , Siebel Philip , Scherrer Natalie , Bicciato Giulio , Schweizer Juliane , Sinka Lucia , Imbach Lukas L. , Katan Mira , Abraira Laura , Santamarina Estevo , Álvarez‐Sabín José , Winklehner Michael , von Oertzen Tim J. , Wagner Judith N. , Gigli Gian Luigi , Serafini Anna , Janes Francesco , Merlino Giovanni , Valente Mariarosaria , Gregoraci Giorgia , Conrad Julian , Evers Stefan , Lochner Piergiorgio , Roell Frauke , Brigo Francesco , Bentes Carla , Peralta Ana Rita , Melo Teresa Pinho e , Keezer Mark R. , Duncan John S. , Sander Josemir W. , Tettenborn Barbara , Koepp Matthias J. , Galovic Marian 
Published: September 2021

ObjectiveThe purpose of this study was to identify risk factors for acute symptomatic seizures and post‐stroke epilepsy after acute ischemic stroke and evaluate the effects of reperfusion treatment.MethodsWe assessed the risk factors for post‐stroke seizures using logistic or Cox regression in a multicenter study, including adults from 8 European referral centers with neuroimaging‐confirmed ischemic stroke. We compared the risk of post‐stroke seizures between participants with or without reperfusion treatment following propensity score matching to reduce confounding due to treatment selection.ResultsIn the overall cohort of 4,229 participants (mean age 71 years, 57% men), a higher risk of acute symptomatic seizures was observed in those with more severe strokes, infarcts located in the posterior cerebral artery territory, and strokes caused by large‐artery atherosclerosis. Strokes caused by small‐vessel occlusion carried a small risk of acute symptomatic seizures. 6% developed post‐stroke epilepsy. Risk factors for post‐stroke epilepsy were acute symptomatic seizures, more severe strokes, infarcts involving the cerebral cortex, and strokes caused by large‐artery atherosclerosis. Electroencephalography findings within 7 days of stroke onset were not independently associated with the risk of post‐stroke epilepsy. There was no association between reperfusion treatments in general or only intravenous thrombolysis or mechanical thrombectomy with the time to post‐stroke epilepsy or the risk of acute symptomatic seizures.InterpretationPost‐stroke seizures are related to stroke severity, etiology, and location, whereas an early electroencephalogram was not predictive of epilepsy. We did not find an association of reperfusion treatment with risks of acute symptomatic seizures or post‐stroke epilepsy. ANN NEUROL 2021;90:808–820
Effect of degree of ripening on the quality of virgin olive oils produced in Longnan, China
Authors: Lü Xiaofei , Ma Junyi , Yan Huiqiang , Yang Lihua , Ren Xiaoxia , Guo Junwei , Yong Qiaoning , Kong Weibao , Deng Yu 
Published: September 2021

AbstractThe main purpose of this work was to study the effect of different ripening degree (0–7) on quality of two monovarietal olive oils (Arbequina and Arbosana) produced in Longnan region, located in the northwest of China, Gansu province. The qualitative characteristics of oils are evaluated by analysis of the principal quality parameters and chemical composition, such as: free acidity, peroxide value, K232, K270, oxidative stability, fatty acid composition, total phenols, flavonoids content and flavor profile. The maximum oil yields were obtained for both varieties at a ripening degree of 7 (13.26% and 23.59%). The Arbequina and Arbosana oils contained oleic acid (ranged 53.16%–58.92% and 66.30%–74.30%, respectively) and linoleic acid (ranged 15.51%–18.77% and 7.25%–9.45%), respectively. The ratio of MUFA/PUFA ranged from 2.93 to 3.77 and 6.73 to 9.84, respectively. The ratio of 18:1/18:2 presented ranges of 2.84–3.79 and 7.02–9.94, respectively. A significant relationship was observed between the total polyphenols (83.48–140.53 and 118.32–230.00 mg GAE⋅kg−1), flavonoids (0.43–9.00 and 10.20–5.51 mg RE⋅kg−1) and the oxidative stability. E–Nose could effectively identify and distinguish between different varieties and ripening degree of olive oil, especially that change in the W1W (sulfur‐organic) sensor. A principal component analysis showed that the particular effect of ripening degree in the cultivars olive oils.
Separation of racemic mixtures of sn‐1(3)‐monoacylglycerols by enantioselective‐HPLC/ELSD
Authors: Fotia Vincenzo , Potortì Angela Giorgia , La Torre Giovanna Loredana , Di Bella Giuseppa , Saitta Marcello 
Published: September 2021

AbstractEnantiomeric separations were performed on five modified polysaccharide‐based chiral stationary phases (CSPs) containing cellulose tris(3,5‐dimethylphenylcarbamate) (Lux Cellulose‐1), cellulose tris(3‐chloro‐4‐methylphenylcarbamate) (Lux Cellulose‐2), cellulose tris(4‐methylbenzoate) (Lux Cellulose‐3), cellulose tris(4‐chloro‐3‐methylphenylcarbamate) (Lux Cellulose‐4), amylose tris(5‐chloro‐2‐methylphenylcarbamate) (Lux Amylose‐2) by high‐performance liquid chromatography and evaporative light scattering detector. A method for direct separation of pairs of sn‐1(3)‐monoacylglycerols (MAGs) was established using n‐hexane/2‐propanol as the mobile phase. The washing of CSPs with mobile phases based on n‐hexane/2‐propanol, containing small amount of acids, improved considerably the efficiency of separations. Racemic mixtures of sn‐1(3)‐MAGs with different acyl chains could not be directly separated using only one of the columns tested; employing a tandem column system that consisted of a very short silver‐loaded column connected downstream with Lux Cellulose‐1 the method allowed, for the first time, the separation of four enantiomeric pairs of standard in a single chromatographic run.
Measurement of effective cure shrinkage of epoxy‐based molding compound by fiber Bragg grating sensor using two‐stage curing process
Authors: Kim Changsu , Phansalkar Sukrut Prashant , Lee Hyun‐Seop , Han Bongtae 
Published: September 2021

AbstractCure shrinkage accumulated only after the gel point is known as effective cure shrinkage (ECS), which produces residual stresses inside molded components. The ECS of an epoxy‐based molding compound (EMC) is measured by an embedded fiber Bragg grating (FBG) sensor. Under a typical molding condition, a high mold pressure inherently produces large friction between EMC and mold inner surfaces, which hinders EMC from contracting freely during curing. A two‐stage curing process is developed to cope with the problem. In the first stage, an FBG sensor is embedded in EMC by a molding process, and the FBG‐EMC assembly is separated from the mold at room temperature. The molded specimen is heated to a cure temperature rapidly in the second stage using a constraint‐free curing fixture. Several technical issues have to be taken into considerations to ensure that (1) EMC does not pass the gel point before it reaches the cure temperature, and (2) EMC cures uniformly around the FBG during measurements. The ECS of an EMC with a filler content of 88 wt% is measured by the proposed method, and its value is 0.077%. The repeatability of the proposed method is corroborated by the results of a duplicate test.
Thiol Functionalised Supports for Controlled Metal Nanoparticle Formation for Improved C–C Coupling
Authors: Potter Matthew E. , Le Brocq Joshua J. M. , Oakley Alice E. , McShane Evangeline B. , Mhembere Panashe M. , Carravetta Marina , Vandegehuchte Bart D. , Raja Robert 
Published: September 2021

AbstractThe myriad applications of metal nanoparticle systems have individual demands on their size, shape and electronic states, demanding novel synthetic methods to optimise these properties. Herein we report our method of exploiting strong thiol‐Pd binding as a precursor for forming small, uniform Pd nanoparticles on activation. We validate our approach with a range of characterisation techniques and contrast our design strategy with an analogous wetness impregnation method, showing the drastic improvements for catalytic C−C coupling. The presence of the thiol groups offers greater control over nanoparticle formation, particularly temperature resolution on activation, potentially allowing more targeted nanoparticle formation procedures.
Promoting the Phosphidation Process using an Oxygen Vacancy Precursor for Efficient Hydrogen Evolution Reaction
Authors: Li Xiaoxiao , Xing Jingbo , Chen Junwei , Liu Chao , Qi Xiaopeng 
Published: September 2021

AbstractBased on previous works, most of the transition metal phosphides (TMPs) were directly prepared by decomposing NaH2PO2 with the precursors at high temperatures, which resulted in different degrees of phosphidation in the final product. Therefore, it is necessary to design an innovative approach to enhance the degree of phosphidation in the material using crystal defects. Here, oxygen‐vacancy iron oxide/iron foam (Ov‐Fe2O3/IF) was firstly prepared by generating oxygen vacancy in situ in an iron foam through heating in vacuum conditions. Subsequently, FeP/IF was formed by phosphating Ov‐Fe2O3/IF. Under the effects of oxygen vacancies, oxygen‐vacancy iron oxide could be completely phosphatized to produce more active sites on the surface of the material. This, in turn, could result in a catalyst with exceptional hydrogen evolution activity. Thus, the successful fabrication of FeP/IF demonstrated in this work provides an effective and feasible way for the preparation of other high‐efficiency catalysts.
Revealing the binding properties between resorcinol and DNA
Authors: Zeng Guofang , Chen Fengping , Lei Yating , Zhou Like , Yang Xi , Guo Hui , Tuo Xun , Guo Ying 
Published: September 2021

AbstractResorcinol (1,3‐dihydroxybenzene) is a common coupling agent in permanent hair dyes, and has arrested people's attention for its potential hazard to human health. However, the action mechanism of resorcinol and human DNA has not been elucidated. In this research, the binding properties between resorcinol and calf thymus DNA (ct‐DNA) were studied for the first time through various spectral and molecular docking techniques. Spectral studies showed that the initial fluorescence quenching of resorcinol against DNA was a static one. The result of ΔH < 0 and ΔS > 0 was produced from thermodynamic experimental data, therefore it could be concluded that electrostatic force was the major driving force, while binding constant Kb was 1.56 × 104 M−1 at 298 K. The electrostatic binding network between resorcinol and ct‐DNA was established explicitly through competitive substitution analysis and other spectral approaches. The results of FT‐IR absorption spectra indicated that resorcinol had bound to the DNA phosphate skeleton. Molecular docking clearly revealed that binding occurred between hydroxyl groups of resorcinol and phosphorus oxygen bonds (P–O) of the DNA skeleton. These findings may deepen our understanding of the action mechanism between resorcinol and ct‐DNA and provide some useful data on the effect of resorcinol on human diseases.
Exhaustion of coronary vasodilatory reserve in the resting state: Clinical characteristics and long‐term outcomes after intervention
Authors: Vallurupalli Srikanth , Salehi Negar , Agarwal Shiv , Hasan Rimsha , Hassan Atif , Siraj Aisha , Madmani Mohammed Eid , Rafeedheen Rahil , Ayan Mohamed , Al‐Hawwas Malek , Hakeem Abdul , Uretsky Barry F. 
Published: September 2021

AbstractObjectives/BackgroundResting coronary blood flow approximates flow with maximal vasodilation in very severe coronary stenosis. We studied the incidence of exhausted vasodilatory reserve by FFR, its clinical characteristics and long‐term prognosis after FFR guided percutaneous coronary intervention (PCI).MethodsConsecutive patients undergoing FFR‐guided PCI for coronary stenosis with reduced resting blood flow (baseline Pd/Pa < 0.8) were included. Basal maximal vasodilation (BMV) was defined as less than 5% difference between resting Pd/Pa and FFR, that is, FFR‐baseline Pd/Pa < 0.05.ResultsOf 658 vessels that underwent FFR‐guided PCI in 602 patients, 151 vessels had resting blood flow in the ischemic range (baseline Pd/Pa ≤ 0.8) and were included in the analysis. Of these, 28 lesions in 28 patients met criteria for BMV (4.25% of the entire registry and 18.5% of those with the reduced basal coronary flow). Stenosis severity was a significant predictor of the presence of BMV. In long term follow‐up (median 106 ± 3.6 months), BMV was not associated with increased target vessel revascularization (TVR) or major adverse cardiac event compared to non‐BMV(OR 1.9, 95% CI 0.7–4.8, p‐value 0.2 and OR 1.3, 95% CI 0.75–2.5, p = 0.3, respectively).ConclusionLow baseline Pd/Pa that approximates fractional flow reserve (exhausted vasodilatory reserve) defines a subgroup of patients with severe coronary artery stenosis. Prognosis, when treated with PCI along with medical therapy, appears similar to those with intact vasodilatory reserve.
Exploring the Genomic Landscape of Cancer Patient Cohorts with GenVisR
Authors: Skidmore Zachary L. , Campbell Katie M. , Cotto Kelsy C. , Griffith Malachi , Griffith Obi L. 
Published: September 2021

AbstractThe creation of visualizations to interpret genomics data remains an important aspect of data science within computational biology. The GenVisR Bioconductor package was created to lower the entry point for publication‐quality graphics and has remained a popular suite of tools within this domain. GenVisR supports visualizations covering a breadth of topics including functions to produce visual summaries of copy‐number alterations, somatic variants, sequence quality metrics, and more. Recently, the GenVisR package has undergone significant updates to increase performance and functionality. To demonstrate the utility of GenVisR, we present protocols for use of the updated Waterfall() function to create a customizable Oncoprint‐style plot of the mutational landscape of a tumor cohort. We explain the basics of installation, data import, configuration, plotting, clinical annotation, and customization. A companion online workshop describing the GenVisR library, Waterfall() function, and other genomic visualization tools is available at genviz.org. © 2021 The Authors. Current Protocols published by Wiley Periodicals LLC.Basic Protocol 1: Generating a Waterfall() plot from original mutation dataBasic Protocol 2: Adding clinical data to a Waterfall() plotBasic Protocol 3: Customizing mutation burden in Waterfall() plotsBasic Protocol 4: Brief exploration of customizable optionsSupport Protocol 1: Installing GenVisR