bluuebunny/crossref_metadata_2025_split huggingface dataset:
Direct dynamics simulation of the thermal O(3P) + dimethylamine reaction in the triplet surface. I. Rate constant and product branching
Authors: Chakraborty Debdutta , Hase William L. 
Published: March 2022

AbstractIn order to provide atomistic details for the mechanism of the collisional dynamics of O(3P) and dimethylamine (DMA) in the triplet electronic surface, direct dynamics simulations are reported herein. The simulations are performed at the U‐HSE06/aug‐cc‐pVDZ level of theory. The results are reported for the relative collision energy of 7.8 kcal/mol. For the vibrational and rotational excitations, following temperature regimes have been considered: 200 and 10 K, respectively. Simulations reveal that the reaction can lead to two product channels in the considered energy regime: (1) 2OH + 2CH3NHCH2 and (2) 2OH + 2CH3NCH3. The computed reaction cross section for pathways 1 and 2 are as follows: 17.89
0.20 Å2 and 3.28
0.03 Å2, whereas the computed microcanonical reaction rate constants for pathways 1 and 2 are as follows: (4.21
0.05)*10−10 and (7.72
0.07)*10−11 cm3/(molecule sec). Both pathways follow direct and indirect H abstraction processes. Among the direct pathways, stripping and rebound mechanisms have been observed, whereas the indirect pathway involves formation of a post‐reaction complex having lifetime ~0.4–0.5 ps. The velocity scattering angle distribution for the reaction is dominated by scattering in the sideways (60–120
) and backward (120–180
) directions with some contribution from the scattering in the forward direction (0–60
).
Electron ionization mass spectrometric fragmentation and multiple reaction monitoring quantification of ferulic and p‐coumaric acid trimethylsilyl derivatives in deposited atmospheric particles
Authors: Rontani Jean‐François , Charrière Bruno , Aubert Dominique , Menniti Christophe , Vaultier Frédéric , Aubert Claude 
Published: March 2022

RationaleFerulic and p‐coumaric acids are important biological and structural components of plant cell walls and possess antioxidant and antimicrobial properties. These phenolic acids are widespread in environmental samples. However, when they are present at very low concentrations or in very complex lipid extracts, their identification and quantification can be challenging.MethodsThe electron ionization mass spectrometry (EI‐MS) fragmentation pathways of ferulic and p‐coumaric acid trimethylsilyl (TMS) derivatives were investigated. These pathways were deduced by (i) low‐energy collision‐induced dissociation (CID) gas chromatography (GC)/EI‐MS/MS, (ii) accurate mass measurement, and (iii) 13C labelling. These compounds were then characterized and quantified in multiple reaction monitoring (MRM) mode in total lipid extracts of deposited atmospheric particles using highly specific transitions based on the main fragmentation pathways elucidated.ResultsLow‐energy CID‐MS/MS analyses, accurate mass measurement and 13C labelling enabled us to elucidate EI‐MS fragmentations of ferulic and p‐coumaric acid TMS derivatives. Some specific fragmentations proved useful for subsequent characterization and quantification of these compounds. As an application of some of the described fragmentations, trace amounts of these phenolic acids were characterized and quantified in MRM mode in wet‐ and dry‐deposited atmospheric particles containing low proportions of organic matter.ConclusionsEI‐MS fragmentations of ferulic and p‐coumaric acid TMS derivatives exhibit specific fragment ions that can be very useful for the quantification of trace amounts of both phenolic acids in environmental samples.
Intermittent state estimation for nonlinear delay systems with redundant communication channels
Authors: Guo Yuru , Yang Lixin , Rao Hongxia , Lin Ming , Xu Yong 
Published: March 2022

AbstractThis article investigates state estimation for discrete‐time nonlinear systems with Markov delay, where a redundant communication channel is considered to improve transmission reliability. As the channel capacity is limited, we use two Bernoulli stochastic variables to describe the packet dropout conditions of the main channel and the redundant one. In addition, a mode‐dependent estimator based on both the current state and the delayed state is designed. Combining with an intermittent approach, the efficiency of the estimator is improved. An augmented estimation error system is proposed to deal with the Markov delay in the nonlinear system. Subsequently, a sufficient condition is obtained to ensure the asymptotic stability of the augmented error system by constructing a Lyapunov function, and the gains of the intermittent estimator are derived. Finally, a numerical example of a moving vehicle is utilized to illustrate the developed results.
L–Cysteine Modulated ZIF for Deriving Nitrogen‐Doped Porous Carbon: A Highly Efficient and Stable Electrocatalyst for Oxygen Reduction Reactions
Authors: Gan Xingyu , Wang Yun , Guo Xinjie , Wang Fengxiang , Mao Guojiang , Lv Xiaoxia , Wang Hua 
Published: March 2022

AbstractZeolitic Imidazolate Frameworks (ZIFs) derived nitrogen‐doped porous carbon (NPC) materials have been proposed as promising metal‐free electrocatalysts for oxygen reduction reactions (ORR). Herein, we report a strategy to control the morphology of ZIF‐8 and ZIF material‐derived NPC materials by the amount of L‐cysteine. The prepared NPC electrocatalysts exhibit different morphologies and ORR properties. The best of these catalysts exhibited a nanosheet‐like morphology with an onset potential of 0.95 V and a half‐wave potential of 0.87 V in alkaline media, which are comparable to those of commercial Pt/C (20 wt%) catalysts. In addition, this catalyst exhibited high stability and methanol resistance. This work not only reveals the effect of L‐cysteine amount on the growth process of ZIF, but also provides a strategy for designing various excellent catalysts in the fuel cell field.
Synthesis of 1,2‐Propylene Glycol in a Continuous Down‐Flow Fixed‐Bed Reactor With Cu/Al2O3Catalyst
Authors: Dmitriev Georgy S. , Melchakov Ilia S. , Samoilov Vadim O. , Ramazanov Dzhamalutdin N. , Zanaveskin Leonid N. 
Published: March 2022

AbstractGlycerol hydrogenolysis to 1,2‐propylene glycol in a continuous down‐flow fixed‐bed reactor with 60 %Cu/Al2O3catalyst was investigated. The routes of main, intermediate and by‐products formation were proposed. It is shown that an increase in the catalyst particle size from 0.1–0.16 to 1.6–2.5 mm transfers the process from the kinetic mode to an intermediate mode between the kinetic and internal diffusion controlled reaction rate. In this case, the observed activation energy decreased by 30 %. The optimal conditions for the process have been determined.
Polystyrene‐Coated Magnetite Nanoparticles Based Dispersive Micro‐Solid Phase Extraction of Active Pharmaceutical Ingredients of Antidepressant Drugs and Determination by GC‐MS
Authors: Bozyiğit Gamze D. , Zaman Buse T. , Özdemir Oğuz K. , Kılınç Yağmur , Chormey Dotse S. , Engin Güleda O. , Bakırdere Sezgin 
Published: March 2022

AbstractA dispersive micro‐solid phase extraction (D‐μ‐SPE) method based on polystyrene coated magnetic nanoparticles (PS@MNPs) was used to preconcentrate the active ingredients of three antidepressant drugs from aqueous solution to be determined by gas chromatography mass spectrometry. Eight prominent parameters of the D‐μ‐SPE method were optimized univariately to boost the recovery and extraction efficiency of the analytes. The three analytes recorded very low detection limits between 0.40 and 0.60 ng/mL, and the dynamic range was broad with high linearity. Medical wastewater was selected as test sample to evaluate the method's applicability and accuracy, and the percent recovery results obtained ranged between 90 and 98 % for two different spike concentrations. The proximity of the recovery results to 100 % and the low standard deviations validated the developed method's accuracy and precision, respectively.
Electrosprayed Regeneration‐Enhancer‐Element Microspheres Power Osteogenesis and Angiogenesis Coupling
Authors: Xu Tianpeng , Yang Yuhe , Suo Di , Bei Ho Pan , Xu Xiaoxiao , Zhao Xin 
Published: March 2022

AbstractElectrosprayed microspheres for bone regeneration are conventionally restricted by the lack of osteogenic modulation for both encapsulated stem cells and surrounding cells at the defect site. Here, sodium alginate microspheres encapsulating L‐arginine doped hydroxyapatite nanoparticles (Arg/HA NPs) and bone mesenchymal stem cells (BMSCs) as regeneration‐enhancer‐element reservoirs (Arg/HA‐SA@BMSC) for bone healing are electrosprayed. The Arg/HA NPs serve as a container of L‐arginine and Ca2+ and the BMSCs inside the microspheres metabolize the released L‐arginine into bioactive gas nitric oxide (NO) in the presence of Ca2+ to activate the nitric oxide (NO)/cyclic guanosine monophosphate (cGMP) signaling pathway. Meanwhile, the generated NO diffuses out of the microspheres together with the Ca2+ and L‐arginine as exterior enhancers to promote the osteogenesis–angiogenesis coupling of surrounding BMSCs and endothelial cells (ECs) at the bone defect site, generating an internal/external modulation loop between the encapsulated cells and surrounding native cells. It is demonstrated that such regeneration‐enhancer‐element reservoirs could effectively increase the bone tissue formation and neovasculature using rat calvarial defect models. It is envisioned that the microsphere system could streamline vascularized bone regeneration therapy as a high throughput, minimally invasive yet highly effective strategy to accelerate bone healing.
Harnessing the 2D Structure‐Enabled Viscoelasticity of Graphene‐Based Hydrogel Membranes for Chronic Neural Interfacing
Authors: Xiong Zhiyuan , Huang Wenhui , Liang Qinghua , Cao Yang , Liu Shuyi , He Zicong , Zhang Ranran , Zhang Bin , Green Rylie , Zhang Shuixing , Li Dan 
Published: March 2022

AbstractStiffness and viscoelasticity of neural implants regulate the foreign body response. Recent studies have suggested the use of elastic or viscoelastic materials with tissue‐like stiffness for long‐term neural electrical interfacing. Herein, the authors find that a viscoelastic multilayered graphene hydrogel (MGH) membrane, despite exhibiting a much higher Young's modulus than nerve tissues, shows little inflammatory response after 8‐week implantation in rat sciatic nerves. The MGH membrane shows significant viscoelasticity due to the slippage between graphene nanosheets, facilitating its seamless yet minimally compressive interfacing with nerves to reduce the inflammation caused by the stiffness mismatch. When used as neural stimulation electrodes, the MGH membrane can offer abundant ion‐accessible surfaces to bring a charge injection capacity 1–2 orders of magnitude higher than its traditional Pt counterpart, and further demonstrates chronic neural therapy potential in low‐voltage modulation of rat blood pressure. This work suggests that the emergence of 2D nanomaterials and particularly their unique structural attributes can be harnessed to enable new bio‐interfacing design strategies.
Translator Identity and the Development of Multilingual Resources for Language Learning
Authors: Afreen Asma 
Published: March 2022

ABSTRACTAlthough a range of studies suggest that translation is a valuable pedagogical tool for language learning, the process of translation has not been adequately investigated. Further, the identity of the translator is invisible in much research on translation. To address these gaps in the field, the author draws on a self‐study of her translation of English books into Bangla and uses narrative inquiry methods to investigate the process of translation and the negotiation of identity. Drawing its theoretical underpinnings from Norton’s work on identity (Darvin & Norton, 2015; Norton, 2013), the author investigates how she navigated her translator identity with respect to investment, capital, and ideology. Extending Nida’s formal and functional equivalence in translation (Nida & de Waard, 1986), the author develops a “continuum of equivalence” model to facilitate decision‐making in the translation process and illustrates how she used this model in her English‐Bangla translations. Drawing on her study, the author makes the case that the model could enhance the use of translation as a pedagogical tool to promote language learners’ critical language awareness, multicultural knowledge, and creative thinking. Further, her study makes visible the identity of the translator, an important stakeholder in the promotion of multilingualism in language education internationally.
Unpacking everyday urbanism: Practices and the making of (un)even urban waterscapes
Authors: Rusca Maria , Cleaver Frances 
Published: March 2022

AbstractInequalities in conditions of access to water are emblematic of contemporary urban life and have long been at the center of urban scholarship. This paper considers the theoretical and empirical potential of a focus on the everyday as a contribution to critical urban water studies. Drawing on research in Political Ecology and Critical Institutionalism, we focus on the intersection of everyday urbanism and water to reflect on whether such perspectives can further understandings of socio‐natural inequalities and “real” governance challenges in the urban waterscape. We suggest that a focus on the everyday brings attention to the hybrid arrangements that constitute urban waterscapes and offers new insights to the polycentric nature of water governance, agency, and everyday urban struggles. However, we also outline limitations of these studies in unpacking the concept of the everyday and in capturing the practices through which everyday life is constituted. We explore the potential of an engagement with Practice Theory as a sensitizing lens for developing grounded understandings of everyday life, its constituent practices, and how these change over time. Concurrently, we argue that Practice Theory could be strengthened by drawing on critical approaches that explain everyday urban governance through: (1) the linking of practices to broader patterns of inequality; (2) the multiple social identities of practitioners and the variability in their exercise of agency; (3) the role of institutions as crucial mediating mechanisms and the processes through which practices become enduring institutional arrangements. We, thus, conclude that these approaches are complementary rather than competing.This article is categorized under:
Human Water > Water Governance
The Talk of the Town: Community Perspectives on Loot Boxes
Authors: Macey Joseph , Bujić Mila 
Published: March 2022

AbstractLoot boxes are a common monetization mechanic in the contemporary games industry. However, an increasing number of regulatory bodies have been investigating loot boxes, with several having concluded that they constitute gambling. There is, however, a lack of consensus, with some authorities concentrating on the way loot boxes are obtained, while others consider the value of their contents. Overwatch is particularly affected by this disparity as it remains legal in some jurisdictions but not in others. In order to understand the role and function of loot boxes, an expert analysis must be complemented with consumer voices. This chapter utilizes content analysis to investigate discussions of loot boxes in Overwatch fan communities, identifying several prominent themes: monetization, effects, contents, gambling, regulation, alternatives, and their specifics in Overwatch.
Two Overwatch Player Profiles
Authors: Vahlo Jukka , Karhulahti Veli-Matti 
Published: March 2022

AbstractWe pursue Overwatch player profiles via a statistical cluster analysis of survey data from the UK (N = 1089) and the USA (N = 417). The profiles are based on the players’ activity, challenge, and experiential preferences as well as motivations. Our analytical process produces six esports player clusters, two of which with Overwatch. The first (OW1) plays mainly Overwatch and Fortnite on a console, and they enjoy diverse types of non-competitive play elements more than other esports players. The second cluster (OW2) plays mainly Overwatch and League of Legends on a PC, and despite appearing more “competitive”, they did not report more competitive preferences. We suggest that the alleged “casual” and “competitive” types might not be the best way to identify esports and Overwatch players.
Overwatch Fandom and the Range of Corporate Responses
Authors: Wirman Hanna , Jones Rhys 
Published: March 2022

AbstractOfficial responses to Overwatch fan creations from Blizzard Entertainment range from public endorsement to legal actions against the fans. This chapter illustrates, through examples from modding, fan art, fan fiction, and cosplay, how fan contributions are often results of official fan activities and sometimes become included in the actual game itself. This chapter focuses on exploring the authorship and ownership dynamics in game elements that become reworked by fans, shared in fan communities, and either censored, neglected, or endorsed by Blizzard Entertainment. Focusing on the game’s carefully crafted hero characters and related fanworks, this chapter demonstrates that Overwatch heroes are not only simultaneously developed by both fans and paid developers but transformed by fans into notable works beyond their original design.
Locational error in the estimation of regional discrete choice models using distance as a regressor
Authors: Arbia Giuseppe , Berta Paolo , Dolan Carrie B. 
Published: March 2022

AbstractIn many microeconometric studies distance from a relevant point of interest (such as a hospital) is often used as a predictor in a regression framework. Confidentiality rules, often, require to geo-mask spatial micro-data, reducing the quality of such relevant information and distorting inference on models’ parameters. This paper extends previous literature, extending the classical results on the measurement error in a linear regression model to the case of hospital choice, showing that in a discrete choice model the higher is the distortion produced by the geo-masking, the higher will be the downward bias in absolute value toward zero of the coefficient associated to the distance in the models. Monte Carlo simulations allow us to provide evidence of theoretical hypothesis. Results can be used by the data producers to choose the optimal value of the parameters of geo-masking preserving confidentiality, not destroying the statistical information.
Characterization of a SARS-CoV-2 spike protein reference material
Authors: Stocks Bradley B. , Thibeault Marie-Pier , Schrag Joseph D. , Melanson Jeremy E. 
Published: March 2022

Abstract
Development of diagnostic testing capability has advanced with unprecedented pace in response to the COVID-19 pandemic. An undesirable effect of such speed is a lack of standardization, often leading to unreliable test results. To assist the research community surmount this challenge, the National Research Council Canada has prepared a SARS-CoV-2 spike protein reference material, SMT1-1, as a buffered solution. Value assignment was achieved by amino acid analysis (AAA) by double isotope dilution liquid chromatography–tandem mass spectrometry (LC-ID-MS/MS) following acid hydrolysis of the protein, in combination with ultraviolet–visible spectrophotometry (UV–Vis) based on tryptophan and tyrosine absorbance at 280 nm. Homogeneity of the material was established through spectrophotometric absorbance readings at 280 nm. Transportation and long-term storage stabilities were assessed by monitoring relative changes in oligomeric state by size-exclusion liquid chromatography (LC-SEC) with UV detection. The molar concentration of the spike protein in SMT1-1 was 5.68 ± 0.22 µmol L−1 (k = 2, 95% CI), with the native trimeric form accounting for ~ 94% of the relative abundance. Reference mass concentration and mass fraction values were calculated using the protein molecular weight and density of the SMT1-1 solution. The spike protein is highly glycosylated which leads to analyte ambiguity when reporting the more commonly used mass concentration. After glycoprotein molar mass determination by LC-SEC with multi-angle light scattering detection, we thus reported mass concentration values for both the protein-only portion and intact glycoprotein as 0.813 ± 0.030 and 1.050 ± 0.068 mg mL−1 (k = 2), respectively.
Cumulative occupational exposure to inorganic dust and fumes and invasive pneumococcal disease with pneumonia
Authors: Torén Kjell , Blanc Paul D. , Naidoo Rajen , Murgia Nicola , Stockfelt Leo , Schiöler Linus 
Published: March 2022

Abstract
Purpose
Occupational exposure to inorganic dust and fumes in the year preceding disease has been associated with increased pneumococcal pneumonia risk, but the impact of prior cumulative exposure has not been characterized.

Methods
We studied 3184 cases of invasive pneumococcal disease with pneumonia. The case index date was the day the infection was diagnosed. We selected six controls for each case from the Swedish population registry; each control was assigned the index date of their corresponding case. We linked job histories to a job-exposure matrix to calculate a cumulative exposure index, intensity-years, by multiplying the duration (maximum 5 years) of each exposure with the level of exposure (0 for unexposed, 1 for low and 4 for high). We used conditional logistic analyses to estimate the odds ratio (OR) of invasive pneumococcal disease with pneumonia adjusted for comorbidities, educational level, income and other occupational exposures.

Results
Taking other occupational exposures into account, greater than 5 intensity-years of exposure to silica dust or to fumes was each associated with increased odds for invasive pneumococcal disease with pneumonia (OR 2.53, 95% CI 1.49–4.32) and (OR 2.24, 95% CI 1.41–3.55), respectively. Five intensity-years or less of exposure to silica dust or fumes manifested lower odds (OR 1.45, 95% CI 1.20–1.76) and (OR 1.05, 95% CI 0.94–1.16), respectively.

Conclusion
This study adds evidence that the risk of pneumococcal pneumonia increases with increasing cumulative exposure to dust and fumes, indicating the importance of cumulative exposure.
Active vs. passive recovery during an aerobic interval training session in well-trained runners
Authors: Sánchez-Otero Tania , Tuimil José Luis , Boullosa Daniel , Varela-Sanz Adrián , Iglesias-Soler Eliseo 
Published: March 2022

Abstract
Purpose
To compare cardio-metabolic, perceptual and neuromuscular responses to an aerobic interval training (AIT) running session, with active (AR) vs. passive recovery (PR).

Methods
Eleven well-trained male distance runners (36.63 ± 6.93 years, 59.26 ± 5.27 mL·kg−1·min−1, ⁓ 35 min in 10 km) completed the University of Montréal Track Test (UMTT) and 2 AIT sessions on track in random order, which consisted of 4 × 2 min at 100% of the maximum aerobic speed (MAS), with 2 min of AR at 80% of the velocity associated to the second ventilatory threshold (vVT2), or no exercise (i.e., PR). During sessions, oxygen consumption (V̇O2), heart rate (HR), blood lactate [La], rating of perceived exertion (RPE), and countermovement jump (CMJ) were continuously monitored.

Results
There were no differences in time spent in the “red zone” (i.e. > 90% V̇O2max) between sessions (222 ± 73 s AR vs. 230 ± 104 s PR, p = 0.588), although the PR exhibited a greater time spent at peak V̇O2 close to significance (117 ± 114 vs. 158 ± 109 s, p = 0.056). However, the AR elicited a higher mean V̇O2 (49.62 ± 5.91 vs. 47.46 ± 4.20 mL·kg−1·min−1, p = 0.021). The AR favored a lower [La] after sessions (6.93 ± 2.22 vs. 6.24 ± 1.93 mmol·L−1, p = 0.016) and a higher RPE during sessions (15 ± 0.45 vs. 14 ± 0.47, p = 0.045). Meanwhile, the CMJ was significantly potentiated during both sessions.

Conclusion
Considering that PR elicited lower perceptual loading for a similar cardiorespiratory response, its use would be preferable, at least, for this type of AIT running sessions.