bluuebunny/crossref_metadata_2025 huggingface dataset:
Evaluation of local guideline introduction on surgical antimicrobial prophylaxis prescribing for open reduction internal fixations at an Australian tertiary hospital
Authors: Hassan Sarah , Chan Vincent , Stevens Julie E. , Stupans Ieva , Gentle Juliette
Published: October 2023

Background

Guidelines advocate for the use of single‐dose prophylaxis in open reduction internal fixation (ORIF) procedures. The presence of local (institutional) guidelines may assist in the uptake of evidence‐based recommendations.

Aim

To determine the impact of local guideline introduction on prescribing practice for ORIF procedures at a metropolitan hospital in relation to our previous audit investigating adherence to national guidelines, which found that only 20.4% of ORIF patients received single‐dose prophylaxis.

Method

Antibiotic prescribing was audited for patients undergoing ORIF of closed fractures from July–December 2021 at a metropolitan, tertiary hospital following guideline introduction in April 2021. Data on perioperative prescribing regimens were collected, with results compared to recommendations in local guidelines. Descriptive statistics, chi‐squared test, and Fisher's exact test were used to report categorical variables. Ethics approval was granted by Northern Health Office of Research, Ethics, and Governance (Reference no: NLR 72459) and registered with the RMIT University College Human Ethics Advisory Network (Reference no: RM 24642).

Results

Data were collected for 165 patients. Almost all patients (93.5%) received cefazolin preoperatively as per guidelines. Only 22.6% of patients received single‐dose prophylaxis as per local guideline recommendations, with overall adherence to guidelines only 16.4%.

Conclusion

Little change was observed in the proportion of patients who received single‐dose prophylaxis as compared to our previous audit. There is a need to understand why guidelines are not adhered to despite the availability of national and local guidelines. An evaluation of local barriers may assist with informing future implementation strategies.
Biomarkers for intervertebral disc and associated back pain: From diagnosis to disease prognosis and personalized treatment
Authors: Leite Pereira Catarina , Grad Sibylle , Gonçalves Raquel M.
Published: October 2023

Biomarkers are commonly recognized as objective indicators of a medical state or clinical outcome and have been widely used as clinical and diagnostic tools and surrogate endpoints in many pathological conditions. In the context of intervertebral disc (IVD) and associated back pain, also known as degenerative disc disease (DDD), the use of biomarkers has been poorly explored. DDD is currently diagnosed using imaging techniques and subjective pain scales, limiting an objective association between DDD and pain levels, as well as an evaluation of disease progression. There is a need for objective and reliable measurements for DDD, pain and pathology progression. DDD predictors could also help clinicians in deciding on the optimal treatment for distinct patient groups. This review addresses the current candidate biomarkers in DDD, including imaging, genetic, metabolite and protein‐based parameters, both at the tissue and systemic levels, that may become a major advance in the diagnosis and prognosis of the disease, as well as in the management of therapeutic approaches to DDD.
Supercontinuum Generation in Dispersion Engineered Highly Doped Silica Glass Waveguides
Authors: Li Guangkuo , Li Yuhua , Ye Feng , Li Qian , Wang Shao Hao , Wetzel Benjamin , Davidson Roy , Little Brent E. , Chu Sai Tak
Published: October 2023

The effect of a lower index oxide layer inclusion within a highly doped silica glass slot waveguide is investigated for optimized supercontinuum generation at telecom wavelengths. By controlling the thickness of the oxide slot, it is demonstrated that one can engineer the waveguide dispersion profile in order to obtain supercontinua with vastly different spectral broadening dynamics and bandwidths. Using this approach, a waveguide with a low and flat dispersion profile of less than 43 across a wavelength range spanning over 1000 nm is designed and fabricated. It is shown that, when pumped at the telecom C‐band, a supercontinuum that spans over 1.5 octaves can be generated from 817 to 2183 nm. The numerical simulations, whose parameters are derived from the measured waveguide dimension and material indices, exhibit good agreement with experimental measurements, where one can observe both a qualitative and quantitative match in the supercontinuum overall spectrum and specific features (e.g., soliton and dispersive wave locations). This study represents an important step forward in the control and manipulation of dispersive and nonlinear dynamics in highly doped silica glass waveguides, paving the way toward advanced on‐chip broadband light manipulation.
Polymer Mechanochemistry of Component Parts for Artificial Molecular Machines
Authors: Imato Keiichi , Ooyama Yousuke
Published: October 2023

A huge variety of synthetic molecular machines and their components are developed, and their actuation at the molecular level is demonstrated and used in microscopic molecular systems and macroscopic materials. Not only the actuation but also their mechanical responses are critical to the applications. In other words, a molecular machine or a machine part insensitive to mechanical forces can produce mechanical work by another external stimulus even under mechanical loading as an actuator, whereas that sensitive to mechanical forces can be controlled to generate motions by mechanical forces as a mechanophore. To explore the mechanical response empirically, a molecular machine or a part of it has to be chemically incorporated in a polymer chain, through which elongational forces can be applied to the embedded molecule. Here, the mechanochemistry of component parts is reviewed for artificial molecular machines represented by photoswitches and mechanically interlocked architectures using polymer mechanochemistry.
Association of family sequence similarity gene 13A gene polymorphism and interstitial lung disease susceptibility: A systematic review and meta‐analysis
Authors: Hu Yinan , Li Zhen , Ren Yanhong , Dai Huaping
Published: October 2023

Background

Among present reports, the T/G allelic variation at the rs2609255 locus of the family sequence similarity gene 13A (FAM13A) was considerable associated with susceptibility to interstitial lung diseases (ILDs). In this study, we summarized relevant studies and applied a meta‐analysis to explore whether the polymorphism of rs2609255 site of the FAM13A gene can be utilized to predict susceptibility to idiopathic pulmonary fibrosis (IPF) patients or rheumatoid arthritis‐associated interstitial lung disease (RA‐ILD) or silicosis patients in different populations for the first time.

Methods

We compared the frequency of G allele on rs2609255 site of FAM13A between the control subjects and IPF or RA‐ILD or silicosis patients from different races by using meta‐analysis. Nine studies were involved in this meta‐analysis, including five IPF studies, two RA‐ILD studies, and two silicosis studies, and containing 14 subgroups. We conducted separate meta‐analyses for different races.

Results

In all individuals, a substantial link between the G allele of the FAM13A rs2609255 polymorphism and IPF (OR: 1.47, 95% CI: 1.33–1.63, p < 0.00001) was indicated. After dividing by ethnicity, the G allele was illustrated to be considerable correlation with IPF in Asian (OR: 2.63, 95% CI: 1.81–3.81, p < 0.00001) and with RA‐ILD individuals (OR: 3.27, 95% CI: 1.26–8.49, p = 0.01). Conversely, there was no correlation with the G allele and IPF in European individuals (OR: 1.27, 95% CI: 0.89–1.83, p = 0.13) or silicosis in Chinese individuals (OR: 1.20, 95% CI: 0.99–1.46, p = 0.07).

Conclusion

This is the first meta‐analysis that provides evidence that the rs2609255 of FAM13A might increase susceptibility to RA‐ILD, and IPF especially in Asian but not in European individuals, and not be correlated with silicosis in Chinese individuals, which indicated the differences in susceptibility to disease by race were noteworthy.
Investment strategies of information‐provision technology in the platform‐based supply chain
Authors: Tian Xu , Wang Mingzheng , Xu Yang
Published: October 2023

On retailing platforms, several information‐provision technologies are adopted to gain profit, such as production video ads service, live streaming service, and virtual reality/augmented reality tech. In this article, we focus on the investment strategies of information‐provision tech and its impact on the platform‐based supply chain. To this end, we develop a general model under which the platform invests in information‐provision tech for homogenous sellers and consumers search for products on the platform. Our results show that the platform should adopt a higher investment level in information‐provision tech for the products with the unit search cost or products' information uncertainty degree being medium. Also, a more competitive environment can lead to a lower platform's investment level in information‐provision tech when the number of browsing products is sufficiently large. Interestingly, we find that for a large unit search cost or small uncertainty degree of products' information, investing in information‐provision tech can benefit the platform's and sellers' profit. In addition, if the number of browsing products is large, investing in information‐provision tech can increase the consumer surplus and social welfare. Lastly, our results hold for a broad class of distributions of products' information uncertainty value and other practical cases. Our studies can help the platform to understand the roles of information‐provision tech and provide some practical management insights.
Telemedicine in Otolaryngology in the Context of the End of the COVID‐19 Public Health Emergency
Authors: Lorenz F. Jeffrey , Heikel Tiffany , Tucker Jacqueline , Lin Andrea , Gniady John P. , Goldenberg David
Published: October 2023

At the onset of the COVID‐19 pandemic, the US Department of Health and Human Services implemented a range of flexibilities to expedite the adoption of telehealth. As our specialty moved past the height of the pandemic and the use of telehealth transitioned from a necessity to a convenience, numerous health care providers (physicians, advanced practice providers, speech‐language pathologists, and audiologists) recognized its benefits and continued to offer these services. In May 2023, the current administration terminated the COVID‐19 public health emergency declaration, with some telehealth guidelines in effect until December 31, 2023, and others extended through December 31, 2024. Amidst the changing telehealth landscape, the objective of this commentary is to explain policy implications on Otolaryngology–Head and Neck Surgery and provide insight into how to best implement telehealth under these new guidelines.
Application of the Barany Society's Presbyvestibulopathy Criteria in Older Adults With Chronic Dizziness
Authors: Hong Joon‐Pyo , Kim Min‐Beom
Published: October 2023

Objective

To evaluate the older adults with chronic dizziness using the Barany Society's presbyvestibulopathy (PVP) diagnostic criteria and to assess the clinical usability of the criteria.

Study Design

Retrospective study.

Setting

Single tertiary medical center.

Methods

Among a total of 1964 patients aged 60 years or older, 55 patients who had symptoms suitable for the PVP criteria and who underwent all 3 vestibular function tests were analyzed. Of these 55 patients, 13 patients were diagnosed with PVP based on the peripheral vestibular hypofunction criteria; the remaining 42 patients were categorized as patients without PVP.

Results

In both patients with PVP and patients without PVP, postural imbalance or unsteadiness was the most frequently reported vestibular symptom. The rotatory chair test contributed the most to the quantitative diagnosis of PVP (6 of 13), followed by the caloric response test (3 of 13) and video head impulse test (vHIT; 2 of 13). When we included the presence of catch‐up saccades in addition to the vHIT gain in the diagnostic criteria, 5 patients without PVP were additionally diagnosed with PVP. Furthermore, when accounting for the inclusion of catch‐up saccades, patients who experienced recurrent falls demonstrated a significantly higher rate of impairments in the lateral and posterior semicircular canals according to the multivariate analysis.

Conclusion

Considering the catch‐up saccades in addition to vHIT gain seemed to contribute to the diagnosis of PVP and prediction of recurrent fall risks in older adults. Further studies are needed to solidify the diagnostic criteria for PVP.
Plasma for nitrogen fixation by using N2/O2 mixture: Reaction pathway, energy flow, and plasma reactor
Authors: Liu JiaLin , Nie LanLan , Liu DaWei , Lu XinPei
Published: October 2023

When N2/O2 mixture is used for nitrogen fixation (NF), researchers believe that the Zeldovich mechanism is the main pathway for NO formation. However, there is still debate on whether N2 participates in the Zeldovich mechanism through vibrational excitation or electronic excitation of the N2(A) state. This ambiguity has led to uncertainty regarding which type of plasma can achieve higher efficiency. Furthermore, the most significant obstacle to plasma‐assisted NF is the high energy consumption. Gaining a deeper understanding of the energy flow in the discharge process is crucial for improving NF energy efficiency in the future. Therefore, this paper provides an overview of the research on these topics. Finally, various new plasma NF devices reported in recent years will also be discussed.
The nutritional and industrial significance of cottonseeds and genetic techniques in gossypol detoxification
Authors: Ninkuu Vincent , Liu Zhixin , Zhou Yaping , Sun Xuwu
Published: October 2023

Societal Impact Statement

Gossypol and its derivatives represent a class of toxic and immunosuppressive compounds that are naturally synthesized in cottonseed. These compounds pose several health hazards to humans and animals, such as heart and lung damage, breathing difficulties, and death in swine. In poultry, gossypol reduces egg production and slows growth. Studies have also shown that gossypol can indirectly harm humans and animals through the food chain. Although several physical and chemical approaches are adopted to reduce gossypol levels in cottonseed before food and feed processing, these techniques are expensive. Therefore, genetically regulating gossypol production in cotton could provide a cheaper alternative.

Cotton (Gossypium spp.), the most important fiber crop, is cultivated in over a hundred countries to provide raw materials for the growing textile industry. The seed obtained after delinting cotton is a rich source of protein with a vast potential for oil and feed production. Cottonseed oil production is estimated at 5.08 million metric tons and is expected to generate over 6.56 billion United States Dollars in revenue by 2029. The cake from defatted cottonseed is used as animal feed and food supplements. However, the contamination of gossypol in cottonseed limits its use. Gossypol ingestion impairs weight gain and causes anorexia, respiratory distress, and death under extreme exposure. This review highlights the significance of cottonseed oil and meal; the pharmacological uses and impact of gossypol; the chemistry, toxicity, and bioactivity of gossypol; and the physical and chemical methods used in gossypol removal during feed and food supplement processing. In addition, the biosynthetic pathway of gossypol and attempts to genetically transform some key regulators of this pathway to produce glandless cottonseed or reduce the gossypol levels in the seed are discussed.
Biochemical and genetic biomarkers associated with nicotine dependence in Mexican smokers
Authors: Borrego‐Soto Gissela , Perez‐Paramo Yadira Xitlalli , Hernández‐Cabrera Francisco , Alvarado‐Monroy Fatima Miroslaba , Borrego Gilberto , Robles‐Zamora Alejandro , Lazarus Philip , Rojas‐Martinez Augusto
Published: October 2023

Cigarette smoking remains an important health concern and is still a leading cause of preventable mortality. Nicotine is the substance responsible for sustained tobacco use and dependence. Identification of biomarkers underlying nicotine dependence behavior is important to identify people at risk for this dependence. In the present study, we identified biochemical and genetic biomarkers of nicotine dependence detected by the Fagerström Test for Nicotine Dependence (FTDN) in Mexican smokers. The nicotine metabolites nicotine‐N′‐oxide, trans‐3′‐hydroxycotinine‐glucuronide (3HC‐O‐Gluc), and nicotine‐N‐Gluc (Gluc) were useful to differentiate nicotine‐dependent from non‐dependent subjects (p < .0001) with an area under the curve (AUC) of 0.7818. Genetic variants in CYP2A6, FMO3, and UGT2B7 (rs2431413, rs28363545, and rs7439326, respectively) were associated with nicotine dependence (p = .03, p = .01, p = .01, respectively). Variations in the enzymatic activity of CYP2A6 were associated with altered nicotine‐N′‐oxide and 3HC‐O‐Gluc levels. Decreased urinary levels of 3HC‐O‐Gluc and increased nicotine‐N′‐oxide were associated with a decrease in the functional activity of CYP2A6. A strong positive correlation was observed between the ratio of urinary 3HC/cotinine, a measure of CYP2A6 activity, and the levels of 3HC‐O‐Gluc (p < .0001, r = .6835), while a strong negative correlation was observed with nicotine‐N′‐oxide (p < .0001, r = .6522) in nicotine‐dependent subjects. No correlations were observed in non‐nicotine‐dependent subjects. These data suggest that particular urinary nicotine metabolites and genetic variants involved in nicotine metabolism are useful to identify subjects with nicotine dependence in the Mexican population.
Representing the effects of building height variability on urban canopy flow
Authors: Lu Jiachen , Nazarian Negin , Hart Melissa Anne , Krayenhoff E. Scott , Martilli Alberto
Published: October 2023

We conducted large‐eddy simulations over 98 urban arrays with varying building densities and height distributions. Compared with uniform‐height urban arrays, the influence of height variability on urban flow is pronounced and acts differently in two idealized urban configurations: the low buildings induce higher wind speed and stronger turbulence over staggered arrays but act inversely over aligned building configurations. The flow motions around tall buildings generate strong dispersive fluxes, which are sometimes of similar magnitude to the turbulent momentum flux and responsible for a persistent isolated roughness flow pattern in the upper canopy regardless of the urban density. Tall buildings further contribute disproportionately to the form drag of the urban surface, reaching up to 3.9 times the form drag induced by buildings of height equal to the average building height, in dense layouts. The flow inflection points—that is, the largest wind‐speed gradient that defines the aerodynamic interface between the urban canopy flow and the surface layer flow above—are found to be displaced to the maximum building height if less than 25% of buildings are below the mean building height. These findings provide critical insight for the development of urban canopy models, where the impacts of height variability on flow are often linked to the vertical variation in urban density alone. To address this deficiency, we provide a case study that considers the drag amplification due to the impact of vertical urban structures in the urban canopy model, enabling high‐resolution regional climate models to reproduce urban air flows better.
Expression of RSPH6A in the first wave of rat spermatogenesis and oxidative stress conditions: Attenuation by melatonin
Authors: Romano Maria Zelinda , Ben Rhouma Mariem , Messaoudi Imed , Aniello Francesco , Minucci Sergio , Venditti Massimo
Published: October 2023

Purpose

Here, we report, for the first time, the temporal expression and localization of axonemal radial spoke head homolog A (RSPH6A) protein during the first wave of rat spermatogenesis and in oxidative stress conditions.

Methods

For the developmental study, testes were collected from rats at different developmental stages (7, 14, 21, 28, 35, 42, and 60 postnatal days); for in vivo treatment, 24 rats were treated with cadmium and/or melatonin. From each sample, western blot (WB) and immunofluorescence (IF) analyses for RSPH6A were performed.

Results

RSPH6A expression starts at 21 PND alongside the appearance of I spermatocytes (SPC) with a significant increase up to 60 PND. Data were confirmed by IF analysis, showing that RPSH6A expression is restricted to I and II SPC, spermatids, and mature sperm. In vivo experiments showed that the expression and localization of RSPH6A in the testis and epididymal spermatozoa of adult rats treated with cadmium were impaired. Interestingly, melatonin (an antioxidant), given together with Cd, can counteract its damaging effects.

Conclusions

All combined data confirm that RSPH6A contributes to the onset of fertility by acting on sperm motility, raising the possibility of using RSPH6A as a marker for normal fertility in the general population.
Design of adaptive fault‐tolerant controllers for perturbed nonlinear ODE‐PDE cascaded systems
Authors: Cheng Chih‐Chiang , Lin Yuan‐I , Wen Chih‐Chin
Published: October 2023

An adaptive fault‐tolerant control (FTC) scheme is proposed in this article for a class of perturbed cascaded dynamic systems governed by nonlinear differential equation‐partial differential equation (ODE‐PDE) to solve regulation problems. The sliding surface is introduced first, then the controller which can handle actuator faults is designed. Adaptive and perturbation estimation mechanisms are employed in the proposed control scheme so that there is no need to know the upper bounds of perturbations as well as perturbation estimation error in advance. In addition, the adaptive mechanism embedded is capable of adapting the unknown upper bounds of time‐varying loss of effectiveness of the actuators. The stability analysis confirms that the proposed control strategy can drive both the states of ODE and PDE into zero within a finite time even if the actuator fault occurs. At last, a numerical example is given to verify the robustness and effectiveness of the proposed FTC scheme.
Elucidating the effects of environmental consciousness and environmental attitude on green travel behavior: Moderating role of green self‐efficacy
Authors: Khan Ali Nawaz
Published: October 2023

This study examines the reasons why Generation Z chooses to engage in green travel behavior (GTB). It investigates the role of environmental consciousness, environmental attitude, and green self‐efficacy in influencing GTB, using self‐determination theory (SDT) as a framework. The study uses survey data from a diverse group of Generation Z individuals to reveal insights into the factors that influence sustainable travel decisions. The findings emphasize the importance of key factors in driving GTB among Generation Z. Environmental consciousness is a key predictor of GTB, and it influences GTB through its mediating effect on environmental attitude. Green self‐efficacy also plays a significant moderating role, strengthening the relationship between environmental consciousness and GTB. By shedding light on the interplay of these motivational factors, the study makes theoretical contributions to the literature on sustainable travel behavior and SDT. These insights can help policymakers develop interventions that promote intrinsic motivation; nurture environmental values and empower Generation Z to be leaders in sustainable travel, shaping a greener and more responsible future of travel.
Relationship between heart rate variability and differential patterns of cortisol response to acute stressors in mid‐life adults: A data‐driven investigation
Authors: Bennett Meghan M. , Tomas Carissa W. , Fitzgerald Jacklynn M.
Published: October 2023

Cortisol and heart rate variability (HRV) are well‐established biomarkers of the human stress response system. While a relationship between cortisol and HRV is assumed, few studies have found evidence of their correlation within single study designs. One complication for isolating such a relationship may lie in individual variability in the cortisol response to stress such that atypical cortisol responding (i.e., elevated or blunted) occurs. To‐date, studies on the cortisol response have employed traditional mean‐difference‐based approaches to examine average magnitude change in cortisol over time. Alternatively, data‐driven trajectory modelling, such as latent growth mixture modelling, may be advantageous for quantifying cortisol based on patterns of response over time. Latent growth mixture modelling was used in N = 386 adults to identify subgroups based on trajectories of cortisol responses to stress. The relationship between cortisol and HRV was tested within subgroups. Results revealed a ‘prototypical’ subgroup characterised by expected rise and fall in cortisol response to stress (n = 309), a ‘decline’ subgroup (n = 28) that declined in cortisol after stress, and a ‘rise’ subgroup (n = 49) that increased in cortisol after stress. Within the ‘prototypical’ subgroup, greater HRV during stress was associated with decline in cortisol after stress from its maximum (r (306) = 0.19, p < 0.001). This relationship failed to emerge in the ‘decline’ and ‘rise’ subgroups (p > 0.271). Results document different patterns of cortisol response to stress; among those who exhibit a ‘prototypical’ response, changes in HRV during stress are related to changes in cortisol after stress.
Safety evaluation of continuous administration of a high dose of Valeriana fauriei root extract in mice and in humans through an open‐label study
Authors: Ota Misato , Oiwa Yuki , Maki Yasuhito , Utaka Ichiro , Arima Sachie , Matsuo Yoichi , Makino Toshiaki , Nojiri Shunsuke
Published: October 2023

Aim

This study aimed to clarify the safety of Valeriana fauriei root (VF) ethanol extract through in vivo and clinical trials.

Methods

Mice were divided into VF and control groups. They were given VF (4 g VF/kg/day) or the vehicle mixed in the powdered food for four weeks. Food consumption and body weight changes were evaluated, and blood biochemistry and organ weights were assessed on the last day. In addition, an open‐label study was conducted on healthy subjects who took VF capsules (10 g VF/body/day) for four weeks and were asked to report any changes in their physical condition. Physical, hematologic, blood biochemical examination and urinalysis were performed before, two weeks, and four weeks into the study.

Results

Food consumption and weight gain in mice did not differ between the VF and control groups, except for experimental error, and there were no particular differences in the weights of the brain, lung, heart, liver, spleen, and kidney. In mice, VF administration resulted in small but significant decreases in albumin in males and females, and total cholesterol and high‐density lipoprotein cholesterol in females only. These levels were unchanged, but daytime sleepiness was observed in humans.

Conclusion

Since there was little change in the experimental values at continuous high doses of VF at 10 g/day, it can be concluded that approximately one‐fifth of this dose (2 g VF/day) is less harmful. However, daytime sleepiness should be considered.
Teaching Remotely without Being Distant: Implications for Primary Age Students' Learning of Foundational Reading Skills
Authors: Kramer Mariah Fiona , Hicks Troy
Published: October 2023

During the 2020–2021 school year, the COVID‐19 pandemic forced millions of students and teachers into hybrid or fully remote modalities. Compiling the experiences of teachers who taught foundational reading skills to their primary‐age students in a hybrid model (a mix of both remote learners at home, joining via video conferencing, as well as in‐person learners in the classroom), the authors demonstrate the challenges and successes that innovative elementary teachers saw with students' reading. Through observations, interviews, and lesson reviews, key ideas emerged that could make remote instruction more effective in the future. First, teachers who build classroom culture in hybrid spaces must do so with the same amount of intention as they would in physical spaces. Second, the purposeful design of synchronous and asynchronous instructions has the potential to affect student learning in a positive manner. And, finally, the instructional strategies teachers use to introduce and reinforce foundational reading skills led to success.
The kth nearest neighbor method for estimation of entropy changes from molecular ensembles
Authors: Fogolari Federico , Borelli Roberto , Dovier Agostino , Esposito Gennaro
Published: October 2023

All processes involving molecular systems entail a balance between associated enthalpic and entropic changes. Molecular dynamics simulations of the end‐points of a process provide in a straightforward way the enthalpy as an ensemble average. Obtaining absolute entropies is still an open problem and most commonly pathway methods are used to obtain free energy changes and thereafter entropy changes. The kth nearest neighbor (kNN) method has been first proposed as a general method for entropy estimation in the mathematical community 20 years ago. Later, it has been applied to compute conformational, positional–orientational, and hydration entropies of molecules. Programs to compute entropies from molecular ensembles, for example, from molecular dynamics (MD) trajectories, based on the kNN method, are currently available. The kNN method has distinct advantages over traditional methods, namely that it is possible to address high‐dimensional spaces, impossible to treat without loss of resolution or drastic approximations with, for example, histogram‐based methods. Application of the method requires understanding the features of: the kth nearest neighbor method for entropy estimation; the variables relevant to biomolecular and in general molecular processes; the metrics associated with such variables; the practical implementation of the method, including requirements and limitations intrinsic to the method; and the applications for conformational, position/orientation and solvation entropy. Coupling the method with general approximations for the multivariable entropy based on mutual information, it is possible to address high dimensional problems like those involving the conformation of proteins, nucleic acids, binding of molecules and hydration.

This article is categorized under:

Molecular and Statistical Mechanics > Free Energy Methods

Theoretical and Physical Chemistry > Statistical Mechanics

Structure and Mechanism > Computational Biochemistry and Biophysics
X‐ray fluorescence analysis of mercury in human hairs using a secondary target placed behind the sample
Authors: Inoue Fumiyuki , Matsuyama Tugufumi , Tsuji Kouichi
Published: October 2023

Mercury is a pollutant that poses a considerable health risk. The concentration of mercury in scalp hair can be used to estimate past mercury exposure. Methods such as atomic absorption spectrophotometry and inductively coupled plasma‐based techniques have been used to determine the concentrations of trace elements in scalp hairs; however, these analytical methods have several limitations, including the need for expensive equipment, complex sample preparation, and large samples of more than 100 hairs. Therefore, simpler and more cost‐effective methods are required. X‐ray fluorescence (XRF) spectroscopy is a simple and fast analytical method. To improve the sensitivity, we applied a secondary target method to enhance the XRF excitation and reduce the background. In conventional secondary target methods, the primary x‐rays irradiate a secondary target of a pure substance, and the sample is then irradiated with the fluorescent x‐rays from the secondary target. We placed high‐purity Y₂O₃ powder, which served as the secondary target, behind the hair samples. The XRF intensities of trace elements such as mercury and zinc in the hair were enhanced by applying the secondary target behind the hair.
Introduction
Authors: Reinders James , Ashbaugh Ben , Brodman James , Kinsner Michael , Pennycook John , Tian Xinmin
Published: October 2023

Chapter 1 introduces data parallelism and foundational topics for programming accelerated systems with modern C++ and SYCL.
Vectors and Math Arrays
Authors: Reinders James , Ashbaugh Ben , Brodman James , Kinsner Michael , Pennycook John , Tian Xinmin
Published: October 2023

Chapter 11 discusses the SYCL vector and math array types, how to think about them, and when and how to utilize them.
Common Parallel Patterns
Authors: Reinders James , Ashbaugh Ben , Brodman James , Kinsner Michael , Pennycook John , Tian Xinmin
Published: October 2023

Chapter 14 explores several common parallel patterns—map, stencil, reduction, scan, pack, and unpack—and discusses how they can be expressed in SYCL. It shows how to leverage the built-in (i.e., library) functionality of SYCL to maximize developer productivity, and provides a starting point for developers interested in developing their own implementations of these patterns from scratch.
Memory Model and Atomics
Authors: Reinders James , Ashbaugh Ben , Brodman James , Kinsner Michael , Pennycook John , Tian Xinmin
Published: October 2023

Understanding memory consistency is necessary if we want to share data (in memory) between multiple work-items, sub-groups, or work-groups. Chapter 19 explores how SYCL builds upon the memory consistency model of C++, incorporating concepts like address spaces and memory scopes. It demonstrates how to safely guard against race conditions using atomic references and discusses some of the potential pitfalls of using atomics to implement synchronization routines in SYCL.
Buffers
Authors: Reinders James , Ashbaugh Ben , Brodman James , Kinsner Michael , Pennycook John , Tian Xinmin
Published: October 2023

Chapter 7 discusses the buffer abstraction in detail. Buffers are a higher-level abstraction that hides the underlying details of memory management from an application. This chapter describes how to allocate and access the contents of a buffer both in our host programs and in our kernels running on a device.
Future Prospects
Authors: Feldman Moshe , Levy Avraham A.
Published: October 2023

Species from the Triticeae, in particular wheat, barley and rye constitute a major component of the human and animal diet. We discuss how to face the challenge of our century, namely continuing to increase yield and quality in order to ensure food security in a changing climate. We highlight the expected role of new breeding technologies. In addition, we emphasize the continuing importance of the conservation of wild species from the Triticeae, in situ and ex situ, as a rich genepool for future breeding of wheat, barley and rye, for resistance to biotic and abiotic stresses as well as for quality and hybrid vigor.
B Chromosomes
Authors: Feldman Moshe , Levy Avraham A.
Published: October 2023

This chapter describes supernumerary or accessory chromosomes (B-chromosomes) in several grasses focusing on those in species of the sub-tribe Triticineae of the tribe Triticeae. It refers to their origin, molecular characterization, preferential transmission (accumulation mechanism), effect on morphology, fitness, and chromosomal pairing in species and hybrids, and their transcriptional activity.
Analysis of Sea Surface Temperature Variability Using Machine Learning
Authors: Ouala Said , Chapron Bertrand , Collard Fabrice , Gaultier Lucile , Fablet Ronan
Published: October 2023

Sea surface temperature (SST) is a critical factor in the global climate system and plays a key role in many marine processes. Understanding the variability of SST is therefore important for a range of applications, including weather and climate prediction, ocean circulation modeling, and marine resource management. In this study, we use machine learning techniques to analyze SST anomaly (SSTA) data from the Mediterranean Sea over a period of 33 years. The objective is to best explain the temporal variability of the SSTA extremes. These extremes are revealed to be well explained through a non-linear interaction between multi-scale processes. The results contribute to better unveil factors influencing SSTA extremes, and the development of more accurate prediction models.
Data Driven Stochastic Primitive Equations with Dynamic Modes Decomposition
Authors: Tucciarone Francesco L. , Mémin Etienne , Li Long
Published: October 2023

As planetary flows are characterised by interaction of phenomenons in a huge range of scales, it is unaffordable today to resolve numerically the complete ocean dynamics. In this work, a stochastic version of primitive equations are implemented into the NEMO community ocean model to assess the capability of the so-called Location Uncertainty framework in representing the small scales of the ocean flows.
Comparison of Stochastic Parametrization Schemes Using Data Assimilation on Triad Models
Authors: Lobbe Alexander , Crisan Dan , Holm Darryl , Mémin Etienne , Lang Oana , Chapron Bertrand
Published: October 2023

In recent years, stochastic parametrizations have been ubiquitous in modelling uncertainty in fluid dynamics models. One source of model uncertainty comes from the coarse graining of the fine-scale data and is in common usage in computational simulations at coarser scales. In this paper, we look at two such stochastic parametrizations: the Stochastic Advection by Lie Transport (SALT) parametrization introduced by Holm (Proc A 471(2176):20140963, 19, 2015) and the Location Uncertainty (LU) parametrization introduced by Mémin (Geophys Astrophys Fluid Dyn 108(2):119–146, 2014). Whilst both parametrizations are available for full-scale models, we study their reduced order versions obtained by projecting them on a complex vector Fourier mode triad of eigenfunctions of the curl. Remarkably, these two parametrizations lead to the same reduced order model, which we term the helicity-preserving stochastic triad (HST). This reduced order model is then compared with an alternative model which preserves the energy of the system, and which is termed the energy preserving stochastic triad (EST). These low-dimensional models are ideal benchmark models for testing new Data Assimilation algorithms: they are easy to implement, exhibit diverse behaviours depending on the choice of the coefficients and come with natural physical properties such as the conservation of energy and helicity.
Guerrico
Authors: Zuzarte Melanie
Published: October 2023

My Dad, Guerrico Mark Zuzarte, was known as Gerry. His parents, like many Indian families from Goa, immigrated to Karachi, Pakistan, to give their children a prosperous life. I hoped to collaborate with him on the StOries (Strangers to Ourselves) project but he sadly passed away on July 4, 2021 at 81 years of age. This piece honours my family’s migration story between Pakistan to Canada, Montreal to Toronto.

The beauty of this project has enabled me to explore the spiritual and emotional gifts he offered me throughout his lifetime.
Some Timeless and Contemporary Borders
Authors: Rajavel Arunkumar
Published: October 2023

Although I’m an immigrant who, having lived in 4 different countries, has countless stories and anecdotes (Particulars) that can relate to this anthology, I’m a philosopher by training. Things in their abstract and conceptual forms (Universals) fascinate me. While I do not mean to downplay the Particulars, there is something about Universals/Generalisations that intrigue me. For this submission, accordingly, I took a step back and looked at the grand story of migration. ‘You Lie in Wait, You Observe’ is the product of this endeavour. In a bid to capture the crucial role that migration has played in the story of us humans, I reimagine the reader as a timeless spirit that awakens at the dawn of Homo Sapiens who is doomed to only observe, and are powerless to alter anything. The idea is to question the arbitrariness and artificiality of borders and immigration policies, and how that determines the fate of different people.
Trinidadian Trinkets
Authors: Ostapchuck Sarah
Published: October 2023

‘Trinidadian Trinkets’ is a reflective piece about my experiences as a mixed person of colour and second generation Canadian. With my mother of English descent and my father Trinidadian, I’ve often struggled with identity in a culture that lays increasing importance on heritage and labels. I’ve felt mislabelled due to my light skin tone, but I’ve also often found that white crowds have never fully accepted me. As a Canadian-born woman who married a Belarussian-Ukrainian Canadian man, I’m not often confronted with my Trinidadian heritage. When both my grandparents on my father’s side passed away, I became aware of a part of me that felt like it was slipping away. I decided to honour my grandfather while simultaneously using his story and legacy to share my own. I try to incorporate how I still bear the markings and experiences that come from being Trinidadian despite being so far removed from those tropical shores. I use my physical features (with the exception of the soul) to exemplify these parts of me, these trinkets, which I treasure, and can trace all the way from my grandfather (whom I lovingly called “papa”) to my son, who is even lighter-skinned than me and has never met my grandparents.
Experiments and Interventions: Re-envisioning Qualitative Research Methods in Migration
Authors: Kumar Alka
Published: October 2023

The purpose of this chapter on methodology is manifold. It begins by telling the story of the StOries Project, a migration-centred teaching-training initiative that started in 2021 at CERC, in Migration at Toronto Metropolitan University. Using narrative enquiry to delve into the lived experience of migration, employing creative writing formats, was one of its core objectives. Our intention was also to explore the potential of the above conceptual paradigm and methodological process to learn more, and also ‘differently,’ about the migration experience. As the stories- written mostly in a personal and creative non-fiction style- and the academic chapters in this hybrid collection demonstrate, if such experimental projects in migration garner interest from students, early-stage researchers and academics searching for new areas and methods of exploration in this field, pioneering work in cross disciplinary fields could be brought in conversation with each other; and insights from such contributions would help bring new ways of seeing and thinking to migration studies, helping both academic and mainstream readers to ‘know’ about the migration journey more from the perspective of individuals who have experienced it.
The Research Memoir of an Intra-EU Migrant Who Has Become a Guest in a Settler Colonial State
Authors: Triandafyllidou Anna
Published: October 2023

I started my graduate studies, outside my own country of origin (Greece), in 1990 at a time when the whole of Europe was experiencing a reconnection; a new sense of freedom, a novel enthusiasm, a set of landslide social, economic and political changes, similar to a quiet revolution. Migration has been a very important part of this post-1989 ‘revolution’ in Europe. And it has swept me and my post-doctoral studies into it, moving my career compass from the study of minority parties to migration and integration research. This chapter offers a self-reflexive, almost auto-ethnographical account of how my life and my work have been intertwined. I am looking into how my readings and writings have reflected to some extent my experiences while also helping to dissect and analyse those. Naturally my family, my husband and four children, have been drawn, willy nilly, into this great transnational journey. The aim of this chapter, as with our whole book, is to blend the academic with the creative writing in an effort to enrich our understanding of international migrations.
How I Became an Alevi Muslim Woman
Authors: Ari Esra
Published: October 2023

I (Esra) explore my personal journey- of “becoming” an Alevi Muslim woman, as it unfolded while travelling in the US, and now, living in Canada. Previously, while living in Türkiye, I did not particularly self-identify with a religious identity. I narrate (and interrogate) how my identity construction process has been shaped by others’ perceptions and assumptions of who I am. My personal story is intertwined with the stories of my homeland (Türkiye), Canada and the US.
Journey Through the Self
Authors: Richards Chelsea Nyomi
Published: October 2023

This piece raises critical questions regarding the sense of belonging in 2nd-generation Canadians, or those born in Canada to one or more immigrant parents. I am a multidisciplinary artist and a storyteller of Jamaican heritage, often describing myself as a wanderer due to not truly feeling at home anywhere. My interests surrounding cultural identity stem from my discontent with not feeling Jamaican enough, while simultaneously feeling misunderstood as a culturally marginalized Canadian. My experiences with isolation and my yearning to belong were the inspiration for this story.
Degenerate Perturbation Theory for Models of Quantum Field Theory with Symmetries
Authors: Hasler David , Lange Markus
Published: October 2023

We consider Hamiltonians of models describing non-relativistic quantum mechanical matter coupled to a relativistic field of bosons. If the free Hamiltonian has an eigenvalue, we show that this eigenvalue persists also for nonzero coupling. The eigenvalue of the free Hamiltonian may be degenerate provided there exists a symmetry group acting irreducibly on the eigenspace. Furthermore, if the Hamiltonian depends analytically on external parameters then so does the eigenvalue and eigenvector. Our result applies to the ground state as well as resonance states. For our results, we assume a mild infrared condition. The proof is based on operator theoretic renormalization. It generalizes the method used in Griesemer and Hasler (Ann Henri Poincaré 10(3):577–621, 2009) to non-degenerate situations, where the degeneracy is protected by a symmetry group, and utilizes Schur’s lemma from representation theory.
A singular stochastic control problem with direction switching cost
Authors: Kruk Łukasz
Published: October 2023

We introduce a new class of singular stochastic control problems in which the process controller not only chooses the push intensity, at a price proportional to the displacement caused by his action, but he can also change the allowable control direction, paying a fixed cost for each such switching. Singular control of the one-dimensional Brownian motion with quadratic instantaneous cost function and costly direction switching on the infinite time horizon is analyzed in detail, leading to a closed-form solution. This example is used as an illustration of qualitative differences between the class of problems considered here and classic singular stochastic control.
Banking diversity and firms’ exit: A study on Italian data
Authors: Costanzo Giuseppina Damiana , Succurro Marianna , Trivieri Francesco
Published: October 2023

With Italian data, this paper investigates the role of institutional banking diversity on firms’ exit. Using the Gini–Simpson index, a measure of biodiversity drawn from ecological sciences, we find that banking diversity would have reduced firms’ exit rates in the period under investigation (2009–2020), and such a beneficial effect appears sharper for the years of the last financial–sovereign crisis. Both of these findings seem to support the “biodiversity argument” pioneered by Ayadi et al. (2009, 2010), stating that – beyond the merits of any particular bank institutional model – it is indeed the coexistence of a mix of different credit institutions that matters in favouring the financing of the real economy, especially in a scenario characterized by financial turmoil and uncertainty. As a policy recommendation, authorities should promote regulations that, avoiding bias towards a specific bank model, aim to preserve and promote biodiversity in the banking sector.