bluuebunny/crossref_metadata_2025_split huggingface dataset:
Modeling the Enthalpy Relaxation Kinetics of Glassy Polystyrene Using Different Fictive Temperatures for Different Properties
Authors: Liu Guodong , Wan Xian , Zhang Xiaojie , Zhao Dongmei , Zhang Huiqi 
Published: October 2021

AbstractKinetics of polystyrene (PS) around the glass transition are revisited using relaxation model upon two fictive temperature approach by assuming different contributions of the component to average fictive temperature representing different properties of entropy (or volume) and enthalpy. The different contributions are described using Kohlrausch distribution functions with different β. The fitting quality improves significantly for both normalized heat capacity and limit fictive temperature data of PS obtained after being cooled at different rates when the kinetic model upon two fictive temperature approach is used, no matter the relaxation time is calculated using the Adam–Gibbs–Vogel (AGV) model or free‐volume (FV) equation. This result indicates that the relaxation kinetic of polymer around the glass transition can be described more accurately by using models upon two fictive temperature approach instead of the conventional models upon one fictive temperature approach.
Implications of the stability analysis of preferences for personalised colorectal cancer screening
Authors: Sava M. Gabriela , Stanciu Alia , Dolan James G. , May Jerrold H. , Vargas Luis G. 
Published: October 2021

AbstractPatients are increasingly interested in becoming involved in the medical decision‐making process. As a result, healthcare providers and researchers are concerned with finding new ways to integrate patients' preferences, by understanding their commitment to and the stability of those preferences. Preventive medicine, such as colorectal cancer screening, presents an opportunity for personalising the decision‐making trajectory based on patients' preferences. In this paper, we propose a framework for a joint decision‐making process, capable of integrating patients' changing preferences, as described by a stability analysis of those preferences and design scenarios for implementing the process in clinical practice. In this study, a secondary data analysis, we present scenarios that demonstrate how the stability analysis of an Analytic Network Process (ANP) model supports personalising the process of agreeing on an appropriate colorectal cancer screening option. We illustrate the framework using two patients whose preferences have different stabilities and for whom the healthcare provider has different rankings for the recommended alternatives. The results show the differences in additional medical information the healthcare provider might need to provide as part of the joint decision‐making process in order to reach an agreement between the patient and the provider. A stability analysis of the patient's preferences provides the healthcare provider with a mapping of the preferred options. It also shows how the patient's most preferred alternative might change as the patient obtains additional relevant medical information. Knowing how the patient's priorities might change supports a personalisation of the medical decision‐making process. We conclude that the healthcare provider can utilise the stability analysis of a patient's preferences to identify possible dialogue paths that would enable reaching a consensus about an appropriate screening option.
Uneven metabolic and lipidomic profiles in recovered COVID‐19 patients as investigated by plasma NMR metabolomics
Authors: Bizkarguenaga Maider , Bruzzone Chiara , Gil‐Redondo Rubén , SanJuan Itxaso , Martin‐Ruiz Itziar , Barriales Diego , Palacios Ainhoa , Pasco Samuel T. , González‐Valle Beatriz , Laín Ana , Herrera Lara , Azkarate Aida , Vesga Miguel Angel , Eguizabal Cristina , Anguita Juan , Embade Nieves , Mato José M. , Millet Oscar 
Published: October 2021

COVID‐19 is a systemic infectious disease that may affect many organs, accompanied by a measurable metabolic dysregulation. The disease is also associated with significant mortality, particularly among the elderly, patients with comorbidities, and solid organ transplant recipients. Yet, the largest segment of the patient population is asymptomatic, and most other patients develop mild to moderate symptoms after SARS‐CoV‐2 infection. Here, we have used NMR metabolomics to characterize plasma samples from a cohort of the abovementioned group of COVID‐19 patients (n = 69), between 3 and 10 months after diagnosis, and compared them with a set of reference samples from individuals never infected by the virus (n = 71). Our results indicate that half of the patient population show abnormal metabolism including porphyrin levels and altered lipoprotein profiles six months after the infection, while the other half show little molecular record of the disease. Remarkably, most of these patients are asymptomatic or mild COVID‐19 patients, and we hypothesize that this is due to a metabolic reflection of the immune response stress.
Highly spherical SiC nanoparticles grown in nonthermal plasma
Authors: Galář Pavel , Stuchlík Jiří , Müller Martin , Kočka Jan , Kůsová Kateřina 
Published: October 2021

AbstractSilicon carbide (SiC) nanoparticles have excellent properties and varied possible applications. However, the synthesis of this material usually requires high temperatures due to its high melting point (2730°C). In this study, we report on a synthesis of highly spherical SiC nanocrystals (50–150 nm) using nonthermal plasma, a method not yet widely employed for the synthesis of SiC, but generally very suitable for high‐melting‐point materials. We perform the synthesis in a two‐stage reactor, where Si nanocrystals are synthesized in the first stage and these are used as growth seeds for SiC in the second stage. The Si nanocrystals remain inside the SiC nanoparticles after the synthesis. The produced SiC nanocrystals exhibit yellow‐orange naked‐eye‐visible photoluminescence.
Cellular and molecular basis of IR3535 perception in Drosophila
Authors: Shrestha Bhanu , Nhuchhen Pradhan Roshani , Nath Dharmendra Kumar , Lee Youngseok 
Published: October 2021

AbstractBACKGROUNDIR3535 is among the most widely used synthetic insect repellents, particularly for the mitigation of mosquito‐borne diseases such as malaria, yellow fever, dengue and Zika, as well as to control flies, ticks, fleas, lice and mites. These insects are well‐known vectors of deadly diseases that affect humans, livestock and crops. Moreover, global warming could increase the populations of these vectors.RESULTSHere, we performed IR3535 dose–response analyses on Drosophila melanogaster, a well‐known insect model organism, using electrophysiology and binary food choice assays. Our findings indicated that bitter‐sensing gustatory receptor neurons (GRNs) are indispensable to detect IR3535. Further, potential candidate gustatory receptors were screened, among which GR47a was identified as a key molecular sensor. IR3535 concentrations in the range 0.1–0.4% affected larval development and mortality. In addition, N,N‐diethyl‐m‐toluamide (DEET, another commonly used insecticide) was found to exert synergistic effects when co‐administered with IR3535.CONCLUSIONOur findings confirmed that IR3535 directly activates bitter‐sensing GRNs, which are mediated by GR47a. This relatively safe and highly potent insecticide can be largely used in combination with DEET to increase its efficiency to protect livestock and crops. Collectively, our findings suggest that the molecular sensors elucidated herein could be used as targets for the development of alternative insecticides. © 2021 Society of Chemical Industry.
Resolved gravity waves in the tropical stratosphere: Impact of horizontal resolution and deep convection parametrization
Authors: Polichtchouk Inna , Wedi Nils , Kim Young‐Ha 
Published: October 2021

AbstractConvectively generated gravity waves (CGGWs) are important for numerical weather prediction due to their effect on the quasi‐biennial oscillation (QBO) in the stratosphere. Using global ECMWF IFS simulations at TCo7999 (or 1.25 km), TCo2559 (or 3.9 km) and TCo1279 (or 7.8 km) horizontal resolutions, sensitivity of resolved CGGWs to the horizontal resolution and to the explicit versus parametrized representation of deep convection is elucidated during the westerly shear phase of the QBO. Parametrized deep convection is found to inhibit CGGWs, resulting in a twofold reduction in CGGW forcing. When deep convection is explicitly resolved, the total CGGW forcing is almost unchanged across the horizontal resolutions. However, the contribution of long and mesoscale CGGWs (with horizontal wavelengths 100 km  km) to the total CGGW forcing decreases and the contribution of smaller‐scale CGGWs (with  km) increases as the horizontal resolution increases. At the maximum CGGW forcing altitude, at TCo7999 resolution 43% of the total CGGW forcing is due to long and mesoscale waves, whereas at TCo2559 and TCo1279 resolutions their contribution is 70% and 90%, respectively. While CGGW forcing from long and mesoscale waves is similar at TCo7999 resolution with explicit deep convection and at TCo1279 resolution with parametrized deep convection, CGGW forcing from these waves is artificially enhanced at TCo1279 and TCo2559 resolutions with explicit deep convection. This is due to the explicit deep convection being too strong and having too much variance for 100 km  km. Therefore, parametrizations of deep convection and CGGWs (to account for forcing from waves with  km) are required even at TCo2559 resolution. Additionally, resolved CGGW forcing at TCo7999 resolution is examined for the easterly shear phase of the QBO; similar to the westerly shear phase, the smaller‐scale waves contribute 55% to the total CGGW forcing at the maximum CGGW forcing altitude.
Recurrent pneumothoraces with diffuse small ground‐glass and solid nodules
Authors: Hui Li Yan Sandra , Cheng Xin Min , Soo Ing Xiang , Low Su Ying 
Published: October 2021

AbstractMultifocal micronodular pneumocyte hyperplasia (MMPH) is the lesser known pulmonary manifestation of tuberous sclerosis. It manifests radiologically as diffuse small ground‐glass and solid nodules. Accurate diagnosis is essential as it can be mistaken for miliary tuberculosis or malignant lesions which necessitates specific treatment. Constellation of radiological features such as multicentric disease at onset and stability over time can help to distinguish MMPH from its differentials. Histologically, MMPH is characterized by hamartomatous proliferation of type II pneumocytes with a lack of high nuclear to cytoplasmic ratio. MMPH confers a benign prognosis unlike its differentials. Therefore, accurate diagnosis is paramount in ensuring appropriate care is delivered. Here, we describe the radiological and histological features of MMPH in a patient with genetically proven tuberous sclerosis complex and co‐existing lymphangioleiomyomatosis.
The Primacy of Science in Communicating Advances in the Science of Reading
Authors: Hoover Wesley A. , Tunmer William E. 
Published: October 2021

AbstractA recent article in this journal claims that the simple view of reading represents a long‐outdated account of what underlies the ability to read. Its authors argue that if teachers are to be better informed about what is known about reading then the simple view must be replaced by a more current model, one that captures the substantial progress that has been made in our understanding through the science of reading. In this comment on that article, we discuss the authors’ perspective on the simple view and the three advances in research they claim invalidate it, clarifying misconceptions and critically reviewing presented evidence. We argue that the SVR, centered on the proximal causes of reading capacity under a large grain‐size perspective, has garnered strong empirical support, has achieved an important level of consensus within the field regarding its validity, and has shown utility in helping education professionals understand and maintain focus on the most important cognitive capacities underlying reading success. We also argue that the proposed replacement represents a weaker, unproven model that could lead education professionals astray if applied in practice.
Boundary objects in translation: the role of language in participatory system dynamics modeling
Authors: Ballard Ellis , Werner Kelsey , Priyadarshini Pratiti 
Published: October 2021

AbstractParticipatory system dynamics modeling provides tools to represent and improve mental models through stakeholder participation. A hallmark of this approach is the creation and management models as boundary objects. With a proliferation of participatory modeling in diverse contexts, new methodological challenges have emerged around the role of language and translation. This article identifies a gap in the literature around the challenge of language, literacy, and linguistic translation in participatory modeling practice and examines examples from an emerging body of international practice. The authors present a case study that uses visuals to bridge multiple linguistic and literacy divides in workshops in rural India. The authors delineate a preliminary set of language configurations for boundary‐object engagement to clarify design choices of modelers and facilitators. They close with a discussion of the need to assess and document facilitation and language choices and propose opportunities to strengthen practical guidance for the field. © 2021 System Dynamics Society.
Three practical workflow schedulers for easy maximum parallelism
Authors: Rogers David M. 
Published: October 2021

AbstractRuntime scheduling and workflow systems are an increasingly popular algorithmic component in HPC because they allow full system utilization with relaxed synchronization requirements. There are so many special‐purpose tools for task scheduling, one might wonder why more are needed. Use cases seen on the Summit supercomputer needed better integration with MPI and greater flexibility in job launch configurations. Preparation, execution, and analysis of computational chemistry simulations at the scale of tens of thousands of processors revealed three distinct workflow patterns. A separate job scheduler was implemented for each one using extremely simple and robust designs: file‐based, task‐list based, and bulk‐synchronous. Comparing to existing methods shows unique benefits of this work, including simplicity of design, suitability for HPC centers, short startup time, and well‐understood per‐task overhead. All three new tools have been shown to scale to full utilization of Summit, and have been made publicly available with tests and documentation. This work presents a complete characterization of the minimum effective task granularity for efficient scheduler usage scenarios. These schedulers have the same bottlenecks, and hence similar task granularities as those reported for existing tools following comparable paradigms.
Activated but functionally impaired memory Tregs are expanded in slow progressors to type 1 diabetes
Authors: Boldison Joanne , Long Anna E. , Aitken Rachel J. , Wilson Isabel V. , Megson Clare , Hanna Stephanie J. , Wong F. Susan , Gillespie Kathleen M. 
Published: October 2021

Abstract
Aims/hypothesis
Slow progressors to type 1 diabetes are individuals positive for multiple pancreatic islet autoantibodies who have remained diabetes-free for at least 10 years; regulation of the autoimmune response is understudied in this group. Here, we profile CD4+ regulatory T cells (Tregs) in a small but well-characterised cohort of extreme slow progressors with a median age 43 (range 31–72 years), followed up for 18–32 years.

Methods
Peripheral blood samples were obtained from slow progressors (n = 8), age- and sex-matched to healthy donors. One participant in this study was identified with a raised HbA1c at the time of assessment and subsequently diagnosed with diabetes; this donor was individually evaluated in the analysis of the data. Peripheral blood mononuclear cells (PBMCs) were isolated, and to assess frequency, phenotype and function of Tregs in donors, multi-parameter flow cytometry and T cell suppression assays were performed. Unsupervised clustering analysis, using FlowSOM and CITRUS (cluster identification, characterization, and regression), was used to evaluate Treg phenotypes.

Results
Unsupervised clustering on memory CD4+ T cells from slow progressors showed an increased frequency of activated memory CD4+ Tregs, associated with increased expression of glucocorticoid-induced TNFR-related protein (GITR), compared with matched healthy donors. One participant with a raised HbA1c at the time of assessment had a different Treg profile compared with both slow progressors and matched controls. Functional assays demonstrated that Treg-mediated suppression of CD4+ effector T cells from slow progressors was significantly impaired, compared with healthy donors. However, effector CD4+ T cells from slow progressors were more responsive to Treg suppression compared with healthy donors, demonstrated by increased suppression of CD25 and CD134 expression on effector CD4+ T cells.

Conclusions/interpretations
We conclude that activated memory CD4+ Tregs from slow progressors are expanded and enriched for GITR expression, highlighting the need for further study of Treg heterogeneity in individuals at risk of developing type 1 diabetes.

Graphical abstract
Use of electronic patient data overview with alerts in primary care increases prescribing of lipid-lowering medications in patients with type 2 diabetes
Authors: Charles Morten H. , Thomsen Janus L. , Christensen Bo , Pulleyblank Ryan , Kongstad Line P. , Olsen Kim Rose 
Published: October 2021

Abstract
Aims/hypothesis
We aimed to assess whether general practices (GPs) using an electronic disease management program (DMP) with population overviews, including alerts when patients failed to receive guideline-recommended prescription medications, increased prescriptions of lipid-lowering drugs for patients with type 2 diabetes with no history of lipid-lowering treatment.

Methods
This observational study included 165 GPs that reached a high level of use of the DMP in 2012 and a control group of 135 GPs who reached a high level of use in 2013 and, hence, who were less exposed to the DMP throughout 2012. A binary measure for having been prescribed and filled lipid-lowering drugs at any time within a 12-month exposure period was derived for all patients with type 2 diabetes who did not receive a prescription for lipid-lowering drugs in the baseline year prior to the study period (i.e. 2011). Results were derived using ORs from multivariate logistic regression analyses. Subgroup stratification based on age, sex, diabetes duration, deprivation status and Charlson Comorbidity Index (CCI) score was conducted and assessed. Placebo tests were carried out to assess bias from selection to treatment.

Results
Patients who did not receive a prescription of lipid-lowering drugs in the year prior to being listed with GPs that used the DMP had statistically significant greater odds of receiving a prescription of lipid-lowering medications when compared with individuals who attended control GPs (OR 1.23 [95% CI 1.09, 1.38]). When the analysis period was shifted back by 2 years, no significant differences in lipid-lowering drug prescription between the two groups were found to occur, which indicates that these results were not driven by selection bias. Subgroup analyses showed that the increase in lipid-lowering drug prescriptions was primarily driven by changes among male participants (OR 1.32 [95% CI 1.12, 1.54]), patients aged 60–70 years (OR 1.40 [95% CI 1.13, 1.74]), patients with a diabetes duration of ≤5 years (OR 1.33 [95% CI 1.13, 1.56]), non-deprived patients (OR 1.25 [95% CI 1.08, 1.45]) and patients without comorbidities (CCI score = 0; OR 1.27 [95% CI 1.11, 1.45]).

Conclusions/interpretation
Access to population overviews using a DMP with alerts of clinical performance measures with regard to adhering to guideline-recommended prescription of medications can increase GP prescriptions of lipid-lowering drugs.

Graphical abstract
The assessment of potential observability for joint chemical states and emissions in atmospheric modelings
Authors: Wu Xueran , Elbern Hendrik , Jacob Birgit 
Published: October 2021

AbstractIn predictive geophysical model systems, uncertain initial values and model parameters jointly influence the temporal evolution of the system. This renders initial-value-only optimization by traditional data assimilation methods as insufficient. However, blindly extending the optimization parameter set jeopardizes the validity of the resulting analysis because of the increase of the ill-posedness of the inversion task. Hence, it becomes important to assess the potential observability of measurement networks for model state and parameters in atmospheric modelings in advance of the optimization. In this paper, we novelly establish the dynamic model of emission rates and extend the transport-diffusion model extended by emission rates. Considering the Kalman smoother as underlying assimilation technique, we develop a quantitative assessment method to evaluate the potential observability and the sensitivity of observation networks to initial values and emission rates jointly. This benefits us to determine the optimizable parameters to observation configurations before the data assimilation procedure and make the optimization more efficiently. For high-dimensional models in practical applications, we derive an ensemble based version of the approach and give several elementary experiments for illustrations.
Kinetic Values, Mobility (in)equalities, and Ageing in Smart Urban Environments
Authors: Parviainen Jaana 
Published: October 2021

AbstractThe idea of the right to mobility has been fundamental to modern Western citizenship and is expressed in many legal and government documents. Although there is widespread acceptance regarding the importance of mobility in older adults, there have been few attempts to develop ethical and theoretical tools to portray mobility (in)equalities in old age. This paper develops a novel conceptualisation of kinetic values focusing on older adults whose ability to move has been restricted for internal and external reasons. Informed by the phenomenological theory of kinaesthesia, I suggest that kinetic values are related to four principal dimensions: self-motion, being-moved, co-motion, and forced movement. I assume that these dimensions can address the key dilemma of human dignity among older adults who suffer from losing their autonomy and agency through their mobility impairments and who are at risk of being confined to their homes. To concretise the formulation of kinetic values, I study movement as part of technological equipment and urban infrastructure to examine what kinds of kinetic values mobility services and assistive robots convey for older adults in smart urban environments. By bridging disciplines, the phenomenological approach provides a novel understanding of mobility and the interplay among assistive technologies, kinaesthesia, and urban technological infrastructure. The approach suggests that kinetic values should be interpreted more comprehensively so that kinaesthesia can become better identified as a positive life-promoting practice.