bluuebunny/crossref_metadata_2025_split huggingface dataset:
Rotating Ring‐Disc Electrode Method: Dissecting Oxygen Reduction Reaction Through a Different Lens
Authors: Wu Kuang‐Hsu 
Published: December 2020

AbstractAnalyzing multi‐product electrochemical reactions using a quantitative feedback system, such as a rotating ring‐disc electrode scheme, usually adopts a product‐defined path‐based view (jH2O2, jH2O) to deconvolute the reaction current response. However, the product path‐based analysis aborts the useful information of a process‐based lens, which is so often overlooked in the one‐sided analysis. This Viewpoint aims to highlight the importance of a stepwise process‐based deconvolution analysis and explain its fundamental difference from a product‐defined path‐based dissection analysis, as well as the application in electrocatalysis research, using the oxygen reduction reaction as a classical example.
Zinc Oxide Nanoparticles as Antifouling Materials for the Electrochemical Detection of Methylparaben
Authors: Javaid Shaghraf , Lee Junqiao , Sofianos M. Veronica , Douglas‐Moore Zac , Arrigan Damien W. M. , Silvester Debbie S. 
Published: December 2020

AbstractThe use of personal care products (PCPs) containing methylparaben (MePa) has been linked with coral reef damage, breast cancer, and endocrine disruption. To monitor such pollutants, the development of simple, fast, and sensitive detection methods is needed. This study reports the electrochemical detection of MePa using a zinc oxide (ZnO) nanoparticle modified glassy carbon electrode. We addressed two main challenges posed by the use of sensing electrodes, that is, the instant fouling of electrodes for the detection of phenolic compounds and the use of expensive or highly complex, multicomponent materials for the detection of water contaminants. By controlling the pH of the reaction solution, ZnO nanoparticles with three different morphologies were synthesized: nanowires, nanocuboids, and nanospheres. The impact of these morphologies on the performance and sensitivity of the fabricated modified electrode was investigated. Under optimum conditions, ZnO nanowires demonstrated the best response compared to the other geometries, with a linear calibration response in the range of 0.02–0.12 mM, and the lowest limit of detection (LOD) of 7.25 μM. The proposed sensor not only offers simplicity and the use of low‐cost materials, but also successfully overcomes the electrode passivation associated with phenol‐containing chemicals and can, therefore, be an attractive candidate for further antifouling applications.
Tungsten‐Catalyzed Direct N‐Alkylation of Anilines with Alcohols
Authors: Lan Xiao‐Bing , Ye Zongren , Yang Chenhui , Li Weikang , Liu Jiahao , Huang Ming , Liu Yan , Ke Zhuofeng 
Published: December 2020

AbstractThe implementation of non‐noble metals mediated chemistry is a major goal in homogeneous catalysis. Borrowing hydrogen/hydrogen autotransfer (BH/HA) reaction, as a straightforward and sustainable synthetic method, has attracted considerable attention in the development of non‐noble metal catalysts. Herein, we report a tungsten‐catalyzed N‐alkylation reaction of anilines with primary alcohols via BH/HA. This phosphine‐free W(phen)(CO)4 (phen=1,10‐phenthroline) system was demonstrated as a practical and easily accessible in‐situ catalysis for a broad range of amines and alcohols (up to 49 examples, including 16 previously undisclosed products). Notably, this tungsten system can tolerate numerous functional groups, especially the challenging substrates with sterically hindered substituents, or heteroatoms. Mechanistic insights based on experimental and computational studies are also provided.
Reduction of histamine and enhanced spinning behavior of Daphnia magna caused by scarlet mutant
Authors: Ismail Nur Izzatur Binti , Kato Yasuhiko , Matsuura Tomoaki , Gómez‐Canela Cristian , Barata Carlos , Watanabe Hajime 
Published: December 2020

SummaryThe ABC transporter, Scarlet, and its binding partner, White are involved in pigment synthesis in the insect eye and mutations in these genes are used as genetic markers. Recent studies have suggested that these transporters also have additional functions in the neuronal system. In our previous study, we generated scarlet mutant in the small crustacean, Daphnia magna and showed that the mutant lacked the eye pigment in the mutant. Here, we show that the scarlet mutant exhibits spinning behavior. This phenotype is partly associated with the presence of light. Metabolomic analysis of a juvenile mutant revealed that the scarlet mutant has approximately one‐tenth of the histamine content of the wild type. Application of histamine to the scarlet mutant rescued the spinning behavior in juveniles, suggesting that the spinning behavior of the mutant is caused by the reduction of histamine. However, the altered behavior was not rescued in the adult mutant by the addition of histamine, suggesting that Scarlet plays an irreversible role in the development of histaminergic neurons. These results suggest that Scarlet plays an important role in histaminergic signaling, which might be related to control the spinning behavior, in addition to its role in eye pigmentation.
Seed size and capitulum position drive germination and dormancy responses to projected warming for the threatened dune endemic Cirsium pitcheri (Asteraceae)
Authors: Gijsman Finote , Vitt Pati 
Published: December 2020

AbstractAmong coastal plant species at risk from rapid environmental changes is the North American Great Lakes dune endemic Cirsium pitcheri. Despite being listed as federally threatened, little is known about how C. pitcheri seed attributes influence germination and dormancy‐break patterns in the context of climate change. Following a previous work where we found differences in the number and weight of C. pitcheri seeds among capitulum positions and study sites, here we examine the effects of seed attributes (capitulum position, seed weight, and site of origin) on the proportion and timing of C. pitcheri seed germination under temperature treatments that simulate projected warming in the Great Lakes (20/10, 25/10, and 30/10°C day/night). Our results demonstrate that C. pitcheri produces diverse cohorts of seeds with seed attributes that significantly influence the timing and probability of germination over a 3‐year soil seed bank. Cirsium pitcheri seed germination proportions were highest at 20°C and decreased successively at 25 and 30°C. Seeds from terminal capitula also had higher germination proportions and took longer to germinate than those from secondary capitula. Lastly, the effect of seed weight on germination probability depended on site of origin and capitulum position, with all effects varying in size and significance over time. Ultimately, our results highlight the considerable differences in germination patterns exhibited by seeds from different capitulum positions and sites of origin and provide insight into the dormancy‐break patterns that C. pitcheri might experience under predicted temperature rise in the Great Lakes region of North America.
CCL25 and CCR9 is a unique pathway that potentiates pannus formation by remodeling RA macrophages into mature osteoclasts
Authors: Umar Sadiq , Palasiewicz Karol , Van Raemdonck Katrien , Volin Michael V. , Romay Bianca , Ahmad Imran , Tetali Chandana , Sweiss Nadera , Amin M Asif , Zomorrodi Ryan K , Shahrara Shiva 
Published: December 2020

AbstractThis study elucidates the mechanism of CCL25 and CCR9 in rheumatoid arthritis (RA). RA synovial fluid (SF) expresses elevated levels of CCL25 compared to OA SF and plasma from RA and normal. CCL25 was released into RA SF by fibroblasts (FLS) and macrophages (MΦs) stimulated with IL‐1β and IL‐6. CCR9 is also presented on IL‐1β and IL‐6 activated RA FLS and differentiated MΦs. Conversely, in RA PBMCs neither CCL25 nor CCR9 are impacted by 3‐month longitudinal TNF inhibitor therapy. CCL25 amplifies RA FLS and monocyte infiltration via p38 and ERK phosphorylation. CCL25‐stimulated RA FLS secrete potentiated levels of IL‐8 which is disrupted by p38 and ERK inhibitors. CCL25 polarizes RA monocytes into nontraditional M1 MΦs that produce IL‐8 and CCL2. Activation of p38 and ERK cascades are also responsible for the CCL25‐induced M1 MΦ development. Unexpectedly, CCL25 was unable to polarize RA PBMCs into effector Th1/Th17 cells. Consistently, lymphokine like RANKL was uninvolved in CCL25‐induced osteoclastogenesis; however, this manifestation was regulated by osteoclastic factors such as RANK, cathepsin K (CTSK), and TNF‐α. In short, we reveal that CCL25/CCR9 manipulates RA FLS and MΦ migration and inflammatory phenotype in addition to osteoclast formation via p38 and ERK activation.
Examining foreign direct investment determinants of tourism industry in Oman and Egypt: The moderating role of investment environment
Authors: Alkathiri Nasser A. , Soliman Mohammad 
Published: December 2020

AbstractLimited research has examined foreign direct investment (FDI) determinants within the tourism industry, particularly in the MENA region. Thus, based on the internationalization framework of Dunning (Multinational enterprises and the global economy, Addison‐Wesley, 1993), this article aims to empirically investigate and compare the FDI determinants of the tourism industry in Oman and Egypt not only through the investors perceptive but more importantly through other stakeholders perspective such as experts in economy and tourism sector due to their vital role in decision making. It also examines the moderating role of investment environment on the relationship between the determinants and attractiveness of FDI. Further, PLS‐SEM was employed for data analysis purposes. The results revealed that resource‐seeking and efficiency‐seeking have a significant role in both countries. However, though market‐seeking was positive and significant in Egypt, it was found insignificant in Oman. Interestingly, the investment environment has a significant moderating role in both countries. The current study contributes to the literature by providing an obvious understanding of tourism FDI determinants with a special emphasis on the essential view of the related experts. It also presents a clear sight to tourism authorities on the essential factors that attract FDI in tourism.
Ab initio effective one‐electron potential operators: Applications for charge‐transfer energy in effective fragment potentials
Authors: Błasiak Bartosz , Bednarska Joanna D. , Chołuj Marta , Góra Robert W. , Bartkowiak Wojciech 
Published: December 2020

AbstractThe concept of effective one‐electron potentials (EOPs) has proven to be extremely useful in efficient description of electronic structure of chemical systems, especially extended molecular aggregates such as interacting molecules in condensed phases. Here, a general method for EOP‐based elimination of electron repulsion integrals is presented, that is tuned toward the fragment‐based calculation methodologies such as the second generation of the effective fragment potentials (EFP2) method. Two general types of the EOP operator matrix elements are distinguished and treated either via the distributed multipole expansion or the extended density fitting (DF) schemes developed in this work. The EOP technique is then applied to reduce the high computational costs of the effective fragment charge‐transfer (CT) terms being the bottleneck of EFP2 potentials. The alternative EOP‐based CT energy model is proposed, derived within the framework of intermolecular perturbation theory with Hartree–Fock noninteracting reference wavefunctions, compatible with the original EFP2 formulation. It is found that the computational cost of the EFP2 total interaction energy calculation can be reduced by up to 38 times when using the EOP‐based formulation of CT energy, as compared to the original EFP2 scheme, without compromising the accuracy for a wide range of weakly interacting neutral and ionic molecular fragments. The proposed model can thus be used routinely within the EFP2 framework.
Assessment of long‐range corrected density functional theory on the absorption and vibrationally resolved fluorescence spectrum of carbon nanobelts
Authors: Ahn Dae‐Hwan , Song Jong‐Won 
Published: December 2020

AbstractTime‐dependent (TD) density functional theory (DFT) and Franck‐Condon Hertzberg‐Teller (FCHT) calculations of various DFT functionals [B3LYP, CAM‐B3LYP, ωB97XD, and optimally tuned (OT) long‐range corrected (LC)‐BLYP] were performed to examine how well DFT functionals can predict the experimental absorption and fluorescence spectra of a 12‐carbon nanobelt (CNB). OT‐LC‐BLYP reproduced the experimental absorption spectrum well in terms of the peak position and intensity in the case of using a basis set with a diffuse function, such as 6–31+G(d,p) and 6–311+G(d,p), whereas B3LYP showed a red‐shift in the peak positions and CAM‐B3LYP and ωB97XD, which have a long‐range HF exchange, showed blue shifts. Regarding the fluorescence spectrum calculations with FCHT using 6–311+G(d,p), the OT‐LC‐BLYP reproduced both the peak intensities and positions closest to the experimental spectrum. B3LYP, however, showed red‐shifted peaks, and ωB97XD showed blue‐shifted peaks. CAM‐B3LYP provided less blue‐shifted peaks, but the relative peak intensities mismatched the experimental ones. Furthermore, calculations of the absorption and vibrationally resolved fluorescence spectra of 16‐CNB and 24‐CNB using OT‐LC‐BLYP/6–311+G(d,p) showed absorption and fluorescence spectra close to the experimental spectra with high accuracy. Moreover, the application of a polarizable continuum model (dichloromethane) produced a red shift in the peak positions of the absorption spectrum with increasing intensity but an increase in the peak intensities of the fluorescence calculations without shifting the peak position.
Full UV resonance Raman analysis of temperature effects on the structural arrangement of DNA segments
Authors: Klener Jakub , Štěpánek Josef 
Published: December 2020

AbstractTemperature dependence of vibrational spectra provides important information about the geometry and stability of nucleic acid segments. Even in cases of simple structural transitions between the folded and unfolded states, three types of spectral changes may occur – the actual structural transition, the influence of temperature change on the oligonucleotide in the folded state, and that in the unfolded state. In this work, the temperature dependences of UV resonance Raman spectroscopy (RRS) spectra excited at 244 and 257 nm were measured on two dodecadeoxynucleotides, duplex and hairpin. In both cases, the total base composition was the same, containing (in the folded state) a double‐strand section of guanine‐cytosine (GC) pairs and a central section of adenine‐thymine (AT) pairs forming a flexible part of the double helix in the duplex or the loop in the hairpin. Principal component analysis (PCA) showed that UV RRS spectrum, unlike non‐resonance RS, can reliably distinguish between the three types of temperature changes. Spectral images of the changes confirmed the B‐form double helix of GC sections in both the duplex and hairpin and different base positions in AT base sections. Additionally, minimal stacking interactions between the bases in the loop and other types of interactions of adenine with the bases of the stem in the hairpin were shown, and the main effects of heating in the folded state on the GC sections manifested weakening of stacking interactions. The results demonstrate UV RRS potential for studies of non‐canonical nucleic acid structures, providing properly analyzed and executed measurements of temperature dependence.
Opportunities for open access: Insights from the Wiley Practitioner Survey
Authors: Roscoe Jonathan 
Published: December 2020

Key points
There is less awareness of open‐access publishing amongst practitioners than amongst their academic colleagues.
The requirement for certification is a significant driver of professional society membership, particularly for those in clinical and veterinary medicine.
Flipping a society journal from a subscription model to fully open access may drive down satisfaction.
Professional society members state a desire for increased collaboration with academics and feel that societies have a role to play in this.
Satisfaction levels with society membership are generally low amongst early career members (ECMs), but there are some clear opportunities for targeted services to improve this.
Awareness of open access is reasonably high, and there are calls for greater transparency and improved data sharing, particularly from ECMs and engineers.
Politics matters: The power dynamics behind Chinese English‐language humanities and social science journals
Authors: Miao Weishan , Huang Ying 
Published: December 2020

AbstractChinese English‐language journals in science, technology, and medicine have received scholarly attention, but little is known about their counterparts in the humanities and social sciences. A full understanding of the internationalization of Chinese English‐language humanities and social sciences journals (CELHSSJs) is not possible without an exploration of the phenomenon's social, political, and economic roots. Based on interviews with 26 stakeholders, including journal editors, heads of academic institutes, personnel from related regulatory state administrations, and international publishers, this article explores the implications of the development of CELHSSJs. Rather than treating the realms of academia and politics as distinct, opposing factors, we examine the complicated situation in China. English‐language journals carry out the political mission of the government's ‘going out’ propaganda policy. For academics and universities, they are largely a means for competing for resources domestically and a venue for power negotiations with overseas publishing groups. Based on our investigation of the dynamics and contradictions involved in the development of CELHSSJs, we argue that the power dynamics and social contexts in which Chinese English‐language journals operate shape China's knowledge production and dissemination as much as the content of these journals does.
High Solids Hydroxy‐TEMPO Mediated Radical Semibatch Emulsion Polymerization of Styrene
Authors: González‐Blanco Roberto , Jiménez‐Reyes Nelson , Cunningham Michael F. , Saldívar‐Guerra Enrique 
Published: December 2020

AbstractStable polystyrene latexes having controlled molecular weight distribution (MWD) with solids contents up to 40 wt% are obtained using potassium persulfate as initiator with the nitroxides 4‐hydroxy‐2,2,6,6‐tetramethylpiperidine‐N‐oxyl (hydroxy‐TEMPO) and 4‐amino‐2,2,6,6‐tetramethylpiperidine‐N‐oxyl (amino‐TEMPO). Using different concentrations of styrene (St) in the nucleation step, it is possible to create colloidal dispersions with particle size ranging from ≈57 to ≈390 nm, conversions up to ≈96%, nitroxide efficiencies (NEff) up to ≈0.76, and number average molecular weight (Mn) ranging from ≈10 000 to ≈85 000 g mol−1. The effect of the monomer feed rate in the semibatch step is also studied. These polymerizations do not require a separate macroinitiator synthesis, since this is formed in situ during the heating ramp. A mathematical model is used to compare the mechanistic understanding of the system with the experimental results.
Anti‐calcitonin gene–related peptide monoclonal antibodies for neuropathic pain in patients with migraine headache
Authors: Kang Seung Ah , Govindarajan Raghav 
Published: December 2020

AbstractIntroductionThere is increasing evidence that calcitonin gene–related peptide (CGRP) plays a role in the development of neuropathic pain, a common feature of peripheral neuropathy. Although clinical studies have shown that anti‐CGRP monoclonal antibodies are highly efficacious for migraine headache prophylaxis, their effects on nonheadache chronic pain conditions, including neuropathic pain, in humans are unknown. Therefore, the aim of this study was to assess the effectiveness of anti‐CGRP monoclonal antibodies for neuropathic pain in patients with coexisting chronic migraine.MethodsA retrospective chart review was conducted of 14 patients with chronic migraine and peripheral neuropathy. All patients were treated with anti‐CGRP monoclonal antibodies. We collected data on patient‐reported scores on the Neuropathy Pain Scale (NPS) and the frequency of migraine headache days (MHDs) per month. Data were collected 3 and 0 months before and 3, 6, 9, and 12 months after treatment with anti‐CGRP medications.ResultsWith treatment of anti‐CGRP monoclonal antibodies, patients reported a 41.7% decrease in NPS scores from 89.3 at baseline to 52.1 at 12 months posttreatment (P < .05). In addition, there was a 33.3% decrease in MHDs per month from 19.8 at baseline to 13.2 at 12 months posttreatment (P < .05).DiscussionAdministration of anti‐CGRP medications significantly improved neuropathic pain in patients who also had chronic migraine. To confirm these promising outcomes, it would be worthwhile to conduct a blinded, randomized study with a larger population of patients.
Non‐polymeric thin wires by drawing materials near room temperature
Authors: Wei Yuwen , Lee Sangmin , Choe Minjae , Bhuyan Priyanuj , Kim Eunseon , Jeon Hongchan , Kang Gun , Nah Changwoon , Park Sungjune 
Published: December 2020

AbstractHerein, non‐polymeric thin cross‐sectional wires were fabricated by injecting materials into elastomeric hollow fibers with subsequent drawing. Once materials were injected into hollow elastic fibers, cores were drawn as fibers elongated. Solidifying the core and removing polymeric shell could form free‐standing wires with thin cross‐sections. In this work, two different thin wires, metallic wires (gallium), and SiCN ceramic wires, were fabricated. Although mechanical and physical properties of these wires completely differed, fabrication approaches were identical by drawing materials near room temperature. Solidified wires enhanced mechanical properties of fibers. Thus, fibers could store elastic energy and preserve deformed complex shapes with the assist of solidified cores. Although the wires with thin cross sections are inherently brittle, the relatively low melting point of gallium (29.8°C) allows it to heal easily upon body heating.
Emotional Eating Predicts Weight Regain Among Black Women in the SisterTalk Intervention
Authors: Risica Patricia Markham , Nelson Tamara , Kumanyika Shiriki K. , Camacho Orona Kaitlyn , Bove Gerald , Odoms‐Young Angela M. , Gans Kim M. 
Published: December 2020

ObjectiveThis study aimed to assess effects of emotional eating and stress on weight change among Black women in a culturally tailored weight‐control program.MethodsSisterTalk, a cable‐TV‐delivered weight‐control randomized trial, included 331 Black women (aged 18‐75 years; BMI ≥ 25 kg/m2) in Boston, Massachusetts. BMI and waist circumference (WC) were assessed at baseline and 3, 8, and 12 months post randomization. Frequency of “eating when depressed or sad” (EWD) and “eating to manage stress” (ETMS) (i.e., “emotional eating”) and perceived stress were also assessed. Lagged analyses of data for intervention participants (n = 258) assessed associations of BMI and WC outcomes at each follow‐up visit with EWD and ETMS frequency and stress measured at the most recent prior visit.ResultsAt 3 months (immediately post intervention), BMI decreased for women in all EWD and ETMS categories but increased at later follow‐up for women reporting EWD and ETMS always/often. In addition, 8‐month EWD and ETMS predicted 12‐month BMI change (both P < 0.05). Higher perceived stress was associated with higher EWD and ETMS; however, stress was not associated with lagged BMI or WC at any time.ConclusionsAddressing emotional eating and related triggers may improve weight maintenance in interventions with Black women.