bluuebunny/crossref_metadata_2025 huggingface dataset:
Quantum mechanical assessment on the optical properties of capsanthin conformers
Authors: Putro Permono Adi , Sakti Aditya Wibawa , Ahmad Faozan , Nakai Hiromi , Alatas Husin
Published: August 2023

As optical properties, the ultraviolet–visible (UV–Vis) absorption spectra of capsanthin‐based red natural dye are a decisive parameter for their usage in various applications. Thus, accurately predicting the maximum UV–Vis wavelength () values is critical in designing dye‐conjugated material. Extensive metadynamics simulations were carried out to generate capsanthin conformers at various levels of the extended tight‐binding method. Benchmarking the time‐dependent density‐functional theory (TD‐DFT) methods help understand the results of a particular functional and allows a comparison between results obtained with different functional. The long‐range correction (LC) scheme in LC‐TD‐DFT‐D4/ωB97X/def2‐SVP has been found to reproduce the experimental and exhibited the effect of conformational changes to the calculated wavelengths. On the other hand, an inexpensive yet efficient LC‐TD‐DFTB method reproduced the experimental insensitive to conformational changes.
Modeling fetal cavum septum pellucidi width by quantile regression at 18–34 weeks of gestation: A prospective cross‐sectional study
Authors: Patelli Chiara , Berti Giorgia , Marra Maria Chiara , Lu Jia Li Angela , Resta Serena , Mappa Ilenia , Rizzo Giuseppe
Published: August 2023

Objective

Develop charts for cavum septum pellucidi (CSP) following a standardized methodology and using quantile regression. The secondary objective was to assess the influence of fetal gender on the generated reference curves.

Methods

In a cross‐sectional prospective study 453 low‐risk singleton pregnancies were evaluated at a gestational age interval between 18 and 34 weeks. The width of CSP were measured on ultrasound images using a standardized technique and their changes were evaluated by quantile regression as a function of gestational age (GA) interval or head circumference (HC). Differences between sex were evaluated.

Results

The measurement of CSP significantly increased with gestation and HC. Linear models better described the changes of CSP with GA and HC. The fits of CSP width with GA and HC were not significantly different. Male fetuses showed significantly higher CSP width when compared to female fetuses (u = 2.973; p = 0.005).

Conclusions

We generated prospective nomograms of fetal CSP development using quantile regression and following a strict standardized methodology. These new charts may be useful to better identify abnormal cases at higher risk of associated anomalies. Further our findings underline the potential effect of gender in developing fetal brain.
Depletion of soluble cytokines unlocks the immunomodulatory bioactivity of extracellular vesicles
Authors: Roux Quentin , Boiy Robin , De Vuyst Felix , Tkach Mercedes , Pinheiro Claudio , de Geyter Sofie , Miinalainen Ilkka , Théry Clotilde , De Wever Olivier , Hendrix An
Published: August 2023

Despite an enormous interest in understanding the bioactivity of extracellular vesicles (EV) in physiology and disease for the development of therapeutic applications, the impact of EV preparation methods remains minimally explored. In this study, we implemented density gradient ultracentrifugation combined with size‐exclusion chromatography (DG‐SEC), differential ultracentrifugation (dUC) and/or stand‐alone SEC (sSEC) to fractionate media conditioned by different cancer cells and/or cancer‐associated fibroblasts (CAF). EV‐enriched but protein‐depleted versus EV‐depleted but protein‐enriched DG‐SEC fractions, and EV‐containing dUC and sSEC preparations were quality controlled for particle number, protein concentration, selected protein composition and ultrastructure, characterized for their cytokine content, and dose‐dependently evaluated for monocyte‐derived dendritic cell (MoDC) maturation by measuring surface marker expression and/or cytokine secretion. EV preparations obtained by DG‐SEC from media conditioned by different cancer cell lines or CAF, were depleted from soluble immune suppressive cytokines such as VEGF‐A and MCP‐1 and potently stimulated MoDC maturation. In contrast, EV‐containing dUC or sSEC preparations were not depleted from these soluble cytokines and were unable to mature MoDC. Subsequent processing of dUC EV preparations by SEC dose‐dependently restored the immunomodulatory bioactivity. Overall, our results demonstrate that method‐dependent off‐target enrichment of soluble cytokines has implications for the study of EV immunomodulatory bioactivity and warrants careful consideration.
Mapping policy agenda in international development: Reflections on OECD Development Centre Working Papers from 1990 to 2017
Authors: Jeong Bok Gyo , An Seongho , Shin Geiguen
Published: August 2023

This study examines the pattern of central policy agendas discussed in international development over the last three decades. It highlights the predominant countries and issues by examining the theme‐based periodicals of a leading international development agency. It analyses the visibility of countries and identifies main topics by examining the OECD Development Centre Working Papers. Findings indicate that certain topics (e.g., market, economy, finance, trade) have been consistently covered, while some policy issues have been highlighted in specific periods. This study also finds that the OECD's people‐ and planet‐centred approach has been reflected in its key reports and documents.
Recent Advance in the Development of Singlet−Fission−Capable Polymeric Materials
Authors: Wang Kangwei , Chen Xingyu , Xu Jingwen , Peng Shaoqian , Wu Di , Xia Jianlong
Published: August 2023

Singlet fission (SF) is a spin–allowed process in which a higher–energy singlet exciton is converted into two lower‐energy triplet excitons via a triplet pair intermediate state. Implementing SF in photovoltaic devices holds the potential to exceed the Shockley–Queisser limit of conventional single‐junction solar cells. Although great progress has been made in exploiting the underlying mechanism of SF over the past decades, the scope of materials capable of SF, particularly polymeric materials, remains poor. SF–capable polymer is one of the most potential candidates in the implementation of SF into devices due to their distinct superiorities in flexibility, solution processability and self‐assembly behavior. Notably, recent advancements have demonstrated high‐performance SF in isolated donor‐acceptor (D‐A) copolymer chains. This review provides an overview of recent progress in the development of SF‐capable polymeric materials, with a significant focus on elucidating the mechanisms of SF in polymers and optimizing the design strategies for SF‐capable polymers. Additionally, the paper discusses the challenges encountered in this field and presents future perspectives. It is expected that this comprehensive review will offer valuable insights into the design of novel SF‐capable polymeric materials, further advancing the potential for SF implementation in photovoltaic devices.
Marginal Distributions at the Tip of a Grafted Stiff Polymer: Analytical and Monte Carlo Investigations
Authors: Yao Jinzhi , Xu Yan , Zhou Jianping , Li Kai
Published: August 2023

This study investigates the marginal distributions of grafted stiff polymer tips in a 2D embedding space using both analytical methods and Monte Carlo simulations. By mapping active Brownian particle (ABP) trajectories in the short‐time regime, analytical expressions for the elongation of the free end of the polymer under horizontal and vertical forces are derived and these expressions are validated using Monte Carlo simulations. These results indicate that the theoretical predictions match well with the simulation results when the chain length is short or the force is large. However, a slight discrepancy is observed between the theoretical and simulation results when the chain is extremely long, although the qualitative asymptotic results remain valid. Additionally, expressions are provided for the horizontal and vertical force versus displacement for the wormlike chain under the weakly bending approximation. This research provides insights into how the trajectories of an ABP correspond to the equilibrium configuration of a semiflexible polymer. These findings have potential applications in various fields, including biophysics and materials science, where understanding the behavior of grafted polymers is crucial.
Mutation spectrum of retinoblastoma patients in Vietnam
Authors: Linh Dao Nguyen Ha , Van Huy Nguyen , Nguyen Phuoc‐Dung , Le Thi Phuong , Tuan Hoang Anh , Van Nguyen Trong , Tran Thu Ha , Tran Hai Anh , Ta Thanh Dat , Pham Tuan L. A. , Bui The‐Hung , Tran Thinh Huy , Van Ta Thanh , Tran Van‐Khanh
Published: August 2023

Background

Retinoblastoma (RB), an intraocular malignancy commonly diagnosed in children, is mostly caused by inactivating mutations of both alleles of the RB1 gene. Early genetic screening for RB1 gene mutations would greatly improve treatment outcomes and patient management.

Methods

In this study, both somatic and germline mutations were detected in blood and tumour samples of 42 RB patients using direct sequencing and multiplex ligation‐dependent probe amplification.

Results

In total, 34 different mutations were found in 36 patients, including 1 SNP, 4 large deletions, 5 splicing sites, 1 missense, 7 frameshifts and 17 nonsense mutations. There were five novel mutations and one unreported which have not been found in large databases such as Leiden Open Variation Database (LOVD) and ClinVar.

Conclusion

A higher rate of RB patients carrying heterozygous germline mutation and highly prevalent with pathogenic truncated mutation, hence, early detection of RB is essential for vision salvation and genetic counselling.
Design, construction, and preliminary hydraulic evaluation of a model rock ramp fishway
Authors: Swarr Tyler R. , Fitzpatrick Ryan M. , Myrick Christopher A.
Published: August 2023

Objective

New fish passage structures are frequently designed using information gained from existing structures, particularly those that have been shown to allow passage of the target species. However, this process rarely involves a preinstallation design and testing phase. Developing an apparatus that allows rapid and relatively low-cost testing of potential fish passage structure designs prior to field installations could reduce the reliance on a “build it, monitor it, does it work?” approach.

Methods

To meet this need, we developed an indoor research flume at Colorado State University’s Foothills Fisheries Laboratory that housed a full-scale experimental rock ramp fishway.

Result

The slope of the flume can be adjusted (0–10%) and integrates a set of four PIT tag antennas to allow fine-resolution tracking of fish movements in the fishway. The flume can deliver variable flows (up to 0.082 m3/s) of 9–25°C water. Lessons learned during the design, construction, and initial operation of the flume are presented here.

Conclusion

The basic system could be adapted for similar studies in other regions and provides a robust and flexible infrastructure that could be modified for other evaluations of instream structures in lotic systems.
Spatial and temporal overlap between hatchery- and natural-origin steelhead and Chinook Salmon during spawning in the Klickitat River, Washington, USA
Authors: Zendt Joseph S. , Allen M. Brady , Kock Tobias J. , Perry Russell W. , Pope Adam C.
Published: August 2023

Objective

A goal of many segregated salmonid hatchery programs is to minimize potential interbreeding between hatchery- and natural-origin fish. Our objective was to assess this on the Klickitat River, Washington, USA.

Methods

We used radiotelemetry to evaluate spatiotemporal spawning overlap between hatchery- and natural-origin steelhead Oncorhynchus mykiss and spring Chinook Salmon O. tshawytscha. We estimated percentages of tagged fish that spawned naturally in the Klickitat River subbasin, emigrated from the Klickitat River, or died before spawning. A kernel density analysis was used to estimate probability of spatiotemporal overlap between hatchery- and natural-origin spawners.

Result

For steelhead, 12% of hatchery-origin and 50% of natural-origin fish spawned naturally. For spring Chinook Salmon, 18% of hatchery-origin and 44% of natural-origin fish spawned naturally. Tag loss may result in underestimates in these percentages. Most hatchery-origin steelhead (90%) spawned downstream of river kilometer (rkm) 32, and 75% spawned from November to mid-March. The majority of natural-origin steelhead (64%) spawned upstream of rkm 32, and 75% spawned from mid-March to late May. Spawn timing of hatchery-origin Chinook Salmon (early August to mid-September) overlapped with that of natural-origin Chinook Salmon (late July to late September), and fish of both origins spawned in the same 30-km reach of the river. We estimated the percentage of hatchery-origin spawners (pHOS) on the natural spawning grounds to be 12% for steelhead and 40% for spring Chinook Salmon across all study years. For steelhead, we estimated the overlap probability to be 25% (95% CI = 22.5–28%). For spring Chinook Salmon, tight spatial clustering of hatchery-origin fish resulted in a lower overlap estimate of 21% (13–31%).

Conclusion

We suggest adjusting pHOS estimates using these overlap estimates or similar spatiotemporal data on actual spawner proximity and possible interactions, and that these types of analyses be used in conjunction with gene flow analysis to accurately evaluate effects of individual hatchery programs.
Dynamic fronto‐amygdalar interactions underlying emotion‐regulation deficits in women at higher weight
Authors: Maturana‐Quijada Pablo , Steward Trevor , Vilarrasa Nuria , Miranda‐Olivos Romina , Jiménez‐Murcia Susana , Carey Holly J. , Fernández‐Formoso José‐Antonio , Guerrero‐Perez Fernando , Sánchez Isabel , Custal Nuria , Virgili Nuria , Lopez‐Urdiales Rafael , Soriano‐Mas Carles , Fernandez‐Aranda Fernando
Published: August 2023

Objective

The regulation of negative emotions entails the modulation of subcortical regions, such as the amygdala, by prefrontal regions. There is preliminary evidence suggesting that individuals at higher weight may present with hypoactivity in prefrontal regulatory systems during emotional regulation, although the directionality of these pathways has not been tested. In this study, we compared fronto‐amygdalar effective connectivity during cognitive reappraisal as a function of BMI in 48 adult women with obesity and 54 control participants.

Methods

Dynamic causal modeling and parametric empirical Bayes were used to map effective connectivity between the dorsomedial prefrontal cortex, orbitofrontal cortex, dorsolateral prefrontal cortex, and the amygdala.

Results

Difficulty in Emotion Regulation Scale scores were higher in the obesity group compared with control participants (p < 0.001). A top‐down cortical model best explained our functional magnetic resonance imaging data (posterior probability = 86%). Participants at higher BMI were less effective at inhibiting activity in the amygdala via the orbitofrontal cortex and dorsomedial prefrontal cortex during reappraisal compared with those at lower BMI. In contrast, increased excitatory modulation of dorsolateral prefrontal cortex‐to‐amygdalar connectivity was found in participants at lower BMI.

Conclusions

These findings support a framework involving alterations in fronto‐amygdalar connectivity contributing to difficulties in regulating negative affect in individuals at higher weight.
If you build it, they will come: Coastal amenities facilitate human engagement in marine protected areas
Authors: Free Christopher M. , Smith Joshua G. , Lopazanski Cori J. , Brun Julien , Francis Tessa B. , Eurich Jacob G. , Claudet Joachim , Dugan Jenifer E. , Gill David A. , Hamilton Scott L. , Kaschner Kristin , Mouillot David , Ziegler Shelby L. , Caselle Jennifer E. , Nickols Kerry J.
Published: August 2023

Calls for using marine protected areas (MPAs) to achieve goals for nature and people are increasing globally. While the conservation and fisheries impacts of MPAs have been comparatively well‐studied, impacts on other dimensions of human use have received less attention. Understanding how humans engage with MPAs and identifying traits of MPAs that promote engagement is critical to designing MPA networks that achieve multiple goals effectively, equitably and with minimal environmental impact.

In this paper, we characterize human engagement in California's MPA network, the world's largest MPA network scientifically designed to function as a coherent network (124 MPAs spanning 16% of state waters and 1300 km of coastline) and identify traits associated with higher human engagement. We assemble and compare diverse indicators of human engagement that capture recreational, educational and scientific activities across California's MPAs.

We find that human engagement is correlated with nearby population density and that site “charisma” can expand human engagement beyond what would be predicted based on population density alone. Charismatic MPAs tend to be located near tourist destinations, have long sandy beaches and be adjacent to state parks and associated amenities. In contrast, underutilized MPAs were often more remote and lacked both sandy beaches and parking lot access.

Synthesis and applications: These results suggest that achieving MPA goals associated with human engagement can be promoted by developing land‐based amenities that increase access to coastal MPAs or by locating new MPAs near existing amenities during the design phase. Alternatively, human engagement can be limited by locating MPAs in areas far from population centres, coastal amenities or sandy beaches. Furthermore, managers may want to prioritize monitoring, enforcement, education and outreach programmes in MPAs with traits that predict high human engagement. Understanding the extent to which human engagement impacts the conservation performance of MPAs is a critical next step to designing MPAs that minimize tradeoffs among potentially competing objectives.

Read the free Plain Language Summary for this article on the Journal blog.
Cover Image
Authors: Zeng Bowen , Yang Jinlong , Hang Ziyan , Fan Yucheng , Feng Chuang , Yang Jie
Published: August 2023

The cover1 image is based on the Research Article High pyroelectric performances of graphene nanoplatelet reinforced polyvinylidene fluoride composite film by Bowen Zeng et al., https://doi.org/10.1002/pc.27480.

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Back Cover Image
Authors: He Yuanping , Lin Bin , Wang Yaohua , Zhao Feifei , Ning Guochen , Bao Xuan , Sui Tianyi
Published: August 2023

The cover4 image is based on the Research Article Effect of homologous molecular crosslinking on the tribological properties of PTFE composites by Yuanping He et al., https://doi.org/10.1002/pc.27479.

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A Bayesian deep learning pipeline for lithium‐ion battery SOH estimation with uncertainty quantification
Authors: Ke Yuqi , Long Mingzhu , Yang Fangfang , Peng Weiwen
Published: August 2023

In recent years, deep learning (DL) methods for state of health (SOH) estimation of lithium‐ion (Li‐ion) batteries have attracted great attention. However, most existing DL‐based methods for SOH estimation were designed using specific battery dataset. To gain better performance, the procedure can be labor‐intensive, involving designing intricate features and fine‐tuning complex DL model, which significantly limits the applications of these methods. Moreover, uncertainty quantification, that is how much uncertainty these DL‐based methods can have on their SOH estimation, cannot be addressed with only point estimation. To this end, this paper proposes a Bayesian DL pipeline for Li‐ion battery SOH estimation targeting at automatic feature extraction and uncertainty‐aware DL‐model developing for general application to batteries under different working conditions. The proposed pipeline is composed of three modules accounting for common feature extraction, automatic feature selection, and Bayesian neural network (BNN) model construction. Specifically, a frequently‐used feature set is designed using the voltage, current and time data of constant current and constant voltage (CC‐CV) charging mode, while the recursive feature elimination (RFE) with cross validation (RFECV) algorithm is used to automatically select features based on relevance. Based on the automatically selected features, DL model is automatically constructed without too much human intervention. The uncertainty of SOH estimation is quantified by BNN model using Monte Carlo (MC) dropout method, which is subsequently used to calculate the confidence of the estimation results. Four battery datasets, covering regular charging, fast charging, and second‐use applications, are used to demonstrate the performance of the proposed method. The proposed pipeline shows superior performance to state‐of‐art DL‐based methods in terms of application capability to different working conditions and uncertainty quantification for SOH estimation.
Reliability modeling for dependent competing failure processes considering random cycle times
Authors: Lyu Hao , Lu Bing , Xie Hualong , Qu Hongchen , Yang Zaiyou , Ma Li , Jiang Yuliang
Published: August 2023

In this paper, a novel model is proposed for the reliability analysis of systems subjected to dependent competing failure processes at random cycle times. The model takes into account the effect of random cycle time on degradation rate and hard failure threshold. Random cycle time is the time required for the system to complete a run. With the continuous operation of the system in a period of cycle time, the degradation rate of the system is accelerated, and its resistance to random shocks is decreased, so the degradation rate and hard failure threshold are supposed to vary with the number of cycles. When the overall degradation exceeds the soft failure threshold, soft failure is triggered. When the shock magnitude is larger than the hard failure threshold, hard failure occurs. Combined with the stress‐strength interference model, the reliability function of the system is derived. Finally, a Micro‐Electro‐Mechanical System is used to verify the validity of the proposed model. The validity of the model is demonstrated by sensitivity analysis.
A planar quadrupole device for transmitting and trapping ions in high vacuum
Authors: Park Sung‐Gun , Mohr Jared P. , Anderson Gordon A. , Bruce James E.
Published: August 2023

Rationale

Hybrid mass spectrometers combine multiple mass analyzers to achieve optimal performance in terms of tandem mass spectrometry, high mass resolving power, and mass measurement accuracy for studying highly complex samples. As a result, the need for transport, trapping, and control of ion kinetic energies is critical for the successful integration of multiple mass analyzers and hybrid instrument operation. In addition, transportation of ion populations between two physically distinct locations can result in time‐of‐flight (TOF) discrimination against ions with widely disparate m/z values, compromising full mass spectral performance. In this work, we demonstrated a new ion guide, referred to as a planar quadrupole (PQ) ion guide, composed of two parallel printed circuit boards (PCB) that allow radiofrequency (RF) and direct current (DC) voltages to be combined to enable both axial transport and trapping of ion populations in the ultrahigh vacuum region of the mass spectrometer. As compared with a conventional multipole ion guide, the PQ ion guide showed comparable performance in ion m/z values, signal‐to‐noise, and intensity and effectively reduced mass discrimination caused by TOF effects.

Methods

A PQ device was developed with two PCBs and simulated with SIMION 8.1. Electrospray ionization and Fourier transform ion cyclotron resonance mass spectrometry instrumentation were used for the testing of PQ performance.

Results

.In this work, we demonstrated a planar quadrupole (PQ) ion guide composed of two parallel PCB plates. The PQ enables both axial ion transport and trapping of ion populations throughout the ion transfer process from a LTQ to an ICR cell. As compared with a conventional multipole ion guide, the PQ showed comparable ion transmission efficiency and effectively reduced mass discrimination caused by TOF effects.

Conclusions

The PQ is a simple design that can be implemented for ion transmission and trapping on virtually any mass spectrometer.
Institutional pressures and sustainability practices of manufacturing firms in Uganda
Authors: Alinda Kassim , Tumwine Sulait , Nalukenge Irene , Kaawaase Twaha Kigongo , Sserwanga Arthur , Navrud Ståle
Published: August 2023

The purpose of this article is to establish whether all the dimensions of institutional pressure matter for sustainability practices of manufacturing medium and large firms using evidence from Uganda. The study was cross‐sectional and quantitative in nature. Data was collected through a questionnaire survey of 102 manufacturing firms. Data were analyzed using SmartPLS‐SEM version 3. This study fosters the understanding of sustainability practices, as it provides insights on whether all the dimensions of institutional pressure matter for sustainability practices of manufacturing firms in Uganda. Results revealed that all the institutional pressure dimensions (coercive pressures, mimetic, and normative pressures) do matter for sustainability practices of the manufacturing medium and large firms in Uganda. This implies that institutional pressures are a cornerstone for sustainability practices.
Combination of In Situ Confocal Microscopy and Calorimetry to Investigate Solidification of Super‐ and Hyper‐Duplex Stainless Steels
Authors: Wang Yong , Sukenaga Sohei , Shibata Hiroyuki , Wang Qiang , Mu Wangzhong
Published: August 2023

The solidification processes of super‐ and hyper‐duplex stainless steels (i.e., UNS S32750 and S 33 207) are investigated in situ by a high‐temperature confocal laser scanning microscope (HT‐CLSM) and differential scanning calorimetry (DSC). The variations of δ‐ferrite phase fraction during solidification are measured quantitatively. The results show that liquid L→δ‐ferrite transformation first occurs at a certain degree of supercooling during the solidification process of steel. UNS S3DSS 3207 with a higher Cr content can result in a higher nucleation temperature and faster growth of δ‐ferrite compared to those of UNS S332750 steel. Moreover, both the liquidus (TL) and solidus temperatures (TS) are increased with the increasing Cr content, while TL increases greater than TS. Electron microscopies are used to quantify the fraction and composition of each phase. Scheil equation is employed to predict the distribution behavior of the main alloying elements in the solidification process, and the predicted results are consistent with the experimental findings. This study aims to provide real‐time experimental insights into the solidification kinetics of state‐of‐the‐art high‐alloy‐grade duplex steels and benefits for controlling the casting process in the real production of stainless steels.
“Speak English”: A Comment on English Language Instruction in an Era of Neo‐Nationalism
Authors: Eger Maureen A. , Valdez Sarah
Published: August 2023

Previous research on neo‐nationalism has largely focused on the political arena, analyzing voters, parties, and policies. The scholarship featured in this special issue moves beyond the analysis of neo‐nationalism in contemporary politics to show how the ideology is enacted at the micro level. The stage for these dynamic interactions is educational settings related to the teaching of English. In this article, we comment on this new research that illustrates the variety of ways English language instruction can either advance or combat neo‐nationalism. Despite the diversity of roles that English plays across different geographic and national‐level contexts, this corpus of work makes evident the importance of language in maintaining national group boundaries. Inspired by this knowledge, we use data from the International Social Survey Program (ISSP) to explore how attitudes about speaking the national language are related to neo‐nationalist stances cross‐nationally. Our findings, which echo the micro‐level evidence presented in the special issue, show that national languages are inextricably linked to the maintenance of national group boundaries and associated with neo‐nationalist concerns about the erosion of national culture, economy, and political institutions due to perceived foreign threats.
Mathematical models of cystic fibrosis as a systemic disease
Authors: Olivença Daniel V. , Davis Jacob D. , Kumbale Carla M. , Zhao Conan Y. , Brown Samuel P. , McCarty Nael A. , Voit Eberhard O.
Published: August 2023

Cystic fibrosis (CF) is widely known as a disease of the lung, even though it is in truth a systemic disease, whose symptoms typically manifest in gastrointestinal dysfunction first. CF ultimately impairs not only the pancreas and intestine but also the lungs, gonads, liver, kidneys, bones, and the cardiovascular system. It is caused by one of several mutations in the gene of the epithelial ion channel protein CFTR. Intense research and improved antimicrobial treatments during the past eight decades have steadily increased the predicted life expectancy of a person with CF (pwCF) from a few weeks to over 50 years. Moreover, several drugs ameliorating the sequelae of the disease have become available in recent years, and notable treatments of the root cause of the disease have recently generated substantial improvements in health for some but not all pwCF. Yet, numerous fundamental questions remain unanswered. Complicating CF, for instance in the lung, is the fact that the associated insufficient chloride secretion typically perturbs the electrochemical balance across epithelia and, in the airways, leads to the accumulation of thick, viscous mucus and mucus plaques that cannot be cleared effectively and provide a rich breeding ground for a spectrum of bacterial and fungal communities. The subsequent infections often become chronic and respond poorly to antibiotic treatments, with outcomes sometimes only weakly correlated with the drug susceptibility of the target pathogen. Furthermore, in contrast to rapidly resolved acute infections with a single target pathogen, chronic infections commonly involve multi‐species bacterial communities, called “infection microbiomes,” that develop their own ecological and evolutionary dynamics. It is presently impossible to devise mathematical models of CF in its entirety, but it is feasible to design models for many of the distinct drivers of the disease. Building upon these growing yet isolated modeling efforts, we discuss in the following the feasibility of a multi‐scale modeling framework, known as template‐and‐anchor modeling, that allows the gradual integration of refined sub‐models with different granularity. The article first reviews the most important biomedical aspects of CF and subsequently describes mathematical modeling approaches that already exist or have the potential to deepen our understanding of the multitude aspects of the disease and their interrelationships. The conceptual ideas behind the approaches proposed here do not only pertain to CF but are translatable to other systemic diseases.

This article is categorized under:

Congenital Diseases > Computational Models
Association of Small Fiber Function with Microvascular Perfusion of Peripheral Nerves in Patients with Type 2 Diabetes
Authors: Mooshage Christoph M. , Schimpfle Lukas , Kender Zoltan , Tsilingiris Dimitrios , Aziz-Safaie Taraneh , Hohmann Anja , Szendroedi Julia , Nawroth Peter , Sturm Volker , Heiland Sabine , Bendszus Martin , Kopf Stefan , Kurz Felix T. , Jende Johann M. E.
Published: August 2023

Introduction/aims

Diabetic small fiber neuropathy (SFN) is caused by damage to thinly myelinated A‑fibers (δ) and unmyelinated C‑fibers. This study aimed to assess associations between quantitative sensory testing (QST) and parameters of peripheral nerve perfusion obtained from dynamic contrast enhanced (DCE) magnetic resonance neurography (MRN) in type 2 diabetes patients with and without SFN.

Methods

A total of 18 patients with type 2 diabetes (T2D, 8 with SFN, 10 without SFN) and 10 healthy controls (HC) took part in this cross-sectional single-center study and underwent QST of the right leg and DCE-MRN of the right thigh with subsequent calculation of the sciatic nerve constant of capillary permeability (Ktrans), extravascular extracellular volume fraction (Ve), and plasma volume fraction (Vp).

Results

The Ktrans (HC 0.031 min−1 ± 0.009, T2D 0.043 min−1 ± 0.015; p = 0.033) and Ve (HC 1.2% ± 1.5, T2D: 4.1% ± 5.1; p = 0.027) were lower in T2D patients compared to controls. In T2D patients, compound z‑scores of thermal and mechanical detection correlated with Ktrans (r = 0.73; p = 0.001, and r = 0.57; p = 0.018, respectively) and Ve (r = 0.67; p = 0.002, and r = 0.69; p = 0.003, respectively). Compound z‑scores of thermal pain and Vp (r = −0.57; p = 0.015) correlated negatively.

Discussion

The findings suggest that parameters of peripheral nerve microcirculation are related to different symptoms in SFN: A reduced capillary permeability may result in a loss of function related to insufficient nutritional supply, whereas increased capillary permeability may be accompanied by painful symptoms related to a gain of function.
Inflammation and the pathological progression of Alzheimer’s disease are associated with low circulating choline levels
Authors: Judd Jessica M. , Jasbi Paniz , Winslow Wendy , Serrano Geidy E. , Beach Thomas G. , Klein-Seetharaman Judith , Velazquez Ramon
Published: August 2023

Deficiency of dietary choline, an essential nutrient, is observed worldwide, with ~ 90% of Americans being deficient. Previous work highlights a relationship between decreased choline intake and an increased risk for cognitive decline and Alzheimer’s disease (AD). The associations between blood circulating choline and the pathological progression in both mild cognitive impairment (MCI) and AD remain unknown. Here, we examined these associations in a cohort of patients with MCI with presence of either sparse or high neuritic plaque density and Braak stage and a second cohort with either moderate AD (moderate to frequent neuritic plaques, Braak stage = IV) or severe AD (frequent neuritic plaques, Braak stage = VI), compared to age-matched controls. Metabolomic analysis was performed on serum from the AD cohort. We then assessed the effects of dietary choline deficiency (Ch−) in 3xTg-AD mice and choline supplementation (Ch+) in APP/PS1 mice, two rodent models of AD. The levels of circulating choline were reduced while pro-inflammatory cytokine TNFα was elevated in serum of both MCI sparse and high pathology cases. Reduced choline and elevated TNFα correlated with higher neuritic plaque density and Braak stage. In AD patients, we found reductions in choline, its derivative acetylcholine (ACh), and elevated TNFα. Choline and ACh levels were negatively correlated with neuritic plaque load, Braak stage, and TNFα, but positively correlated with MMSE, and brain weight. Metabolites L-Valine, 4-Hydroxyphenylpyruvic, Methylmalonic, and Ferulic acids were significantly associated with circuiting choline levels. In 3xTg-AD mice, the Ch− diet increased amyloid-β levels and tau phosphorylation in cortical tissue, and TNFα in both blood and cortical tissue, paralleling the severe human-AD profile. Conversely, the Ch+ diet increased choline and ACh while reducing amyloid-β and TNFα levels in brains of APP/PS1 mice. Collectively, low circulating choline is associated with AD-neuropathological progression, illustrating the importance of adequate dietary choline intake to offset disease.
Illumination levels in commonly used ophthalmic devices
Authors: Kanclerz Piotr , Bazylczyk Natasza
Published: August 2023

Pupil diameter is a key parameter for corneal and multifocal intraocular lens surgery. Many devices are dedicated to measure the pupil size, but do not specify the illumination during capture. The aim of this study was to present illumination levels in routinely used ophthalmic devices which present pupil sizes. To obtain measurements, the lux meter was placed in the chin rest in the corneal plane and the room was completely dimmed. Ten measurements were taken for each device. The illumination levels for white and red Placido disk corneal topographers were 1253.1 ± 0.2 and 329.0 ± 0.2 lux, respectively (both photopic conditions). Scheimpflug corneal tomography should be considered as a mesopic measurement (14.5 ± 0.1 lux). Optical coherence tomography and autorefractometry are scotopic measurements (0.4–0.6 lux). We postulate that producers should provide illumination levels of their devices measuring pupil size. Moreover, when mentioning a pupil size, one should consider presenting to what lighting conditions it refers to.
Frühkindliche Asymmetrien
Authors: Abel Claudia , Strobl Walter Michael
Published: August 2023

Frühkindliche Asymmetrien der Haltung und Bewegung mit resultierender Plagiozephalie innerhalb der ersten 6 Lebensmonate sind Gegenstand zunehmender Diskussion bezüglich Differenzialdiagnostik, Behandlungsbedarf sowie Evidenz der jeweils in Frage kommenden Therapieansätze. Dem breitgefächerten Ursachenspektrum der motorischen Asymmetrie und Schädelabflachung steht ein ebenso breitgefächertes Spektrum an Therapieansätzen und Behandlungsalgorithmen gegenüber.

Den wichtigsten Stellenwert in der Behandlung der Asymmetrien hat die gründliche Diagnostik, welche zeigt, ob und in welchem Ausmaß ursachenbezogene Therapie oder Präventionsmaßnahmen überhaupt notwendig sind. Ohne entsprechende Diagnosestellung ist keine effektive Therapiemöglichkeit gegeben.

Bei fehlender Rückbildung der in den ersten 3 bis 5 Lebensmonaten physiologischen Asymmetrie und persistierendem Schiefhals bzw. Schädeldeformität sind mehrere muskuläre, knöcherne, visuelle, otogene, inflammatorische und neurogen-sensorische Erkrankungen auszuschließen, die spezifischer Behandlungen bedürfen. Das alleinige Vorliegen des transitorischen Symptoms einer Lageasymmetrie rechtfertigt keine Indikation einer Behandlung.
Dental characteristics of patients with four different types of skeletal dysplasias
Authors: Tantibhaedhyangkul Worasap , Tantrapornpong Jenjira , Yutchawit Nuttanun , Theerapanon Thanakorn , Intarak Narin , Thaweesapphithak Sermporn , Porntaveetus Thantrira , Shotelersuk Vorasuk
Published: August 2023

Objective

Skeletal dysplasia (SD) comprises more than 450 separate disorders. We hypothesized that their dental features would be distinctive and investigated the tooth characteristics of four patients with different SDs.

Material and methods

Four SD patients with molecularly confirmed diagnoses, Pt-1 acromicric dysplasia, Pt-2 hypophosphatasia and hypochondroplasia, Pt-3 cleidocranial dysplasia, and Pt-4 achondroplasia, were recruited. A tooth from each patient was evaluated for mineral density (micro-computerized tomography), surface roughness (surface profilometer), microhardness, mineral contents (energy-dispersive X-ray), and ultrastructure (scanning electron microscopy and histology), and compared with three tooth-type matched controls.

Results

Pt-1 and Pt-3 had several unerupted teeth. Pt-2 had an intact-root-exfoliated tooth at 2 years old. The lingual surfaces of the patients’ teeth were significantly smoother, while their buccal surfaces were rougher, than controls, except for Pt-1’s buccal surface. The patients’ teeth exhibited deep grooves around the enamel prisms and rough intertubular dentin. Pt-3 demonstrated a flat dentinoenamel junction and Pt-2 had an enlarged pulp, barely detectable cementum layer, and ill-defined cemento-dentinal junction. Reduced microhardnesses in enamel, dentin, and both layers were observed in Pt-3, Pt-4, and Pt-1, respectively. Pt-1 showed reduced Ca/P ratio in dentin, while both enamel and dentin of Pt-2 and Pt-3 showed reduced Ca/P ratio.

Conclusion

Each SD has distinctive dental characteristics with changes in surface roughness, ultrastructure, and mineral composition of dental hard tissues.

Clinical relevance

In this era of precision dentistry, identifying the specific potential dental problems for each patient with SD would help personalize dental management guidelines.
Pattern of Litterfall Production Throughout a Tropical Humid Forest Chronosequence
Authors: Obando Guzmán Judith Karine , Beltrán Luis Carlos , Rodríguez-León Carlos H. , Roa-Fuentes Lilia L.
Published: August 2023

Neotropical landscapes are often characterized as mosaics of actively grazed pastures and forest fragments at various stages of succession. Restoring abandoned pastures requires intervening with actions informed by local ecological succession. Here we evaluate how litter production, a key component of nutrient cycling in forests, varies between physiographic landscapes (hill and lowland mountain), among stand age groups (early-secondary: 0–20 year, intermediate-secondary: 20–40 year, and old-growth forests: > 40 year), and in response to climatic (precipitation and irradiation) and forest structure and biodiversity variables (stand density, basal area, species density, diversity), in a tropical humid forest chronosequence. Total and leaf litter production was higher in the lower elevation hill landscape. Leaf litter production increased with stand age in both landscapes but only correlated positively with forest structure and biodiversity in the hill landscape. Lack of correlation in the mountain landscape is attributed to greater variance in structure and species composition in the subset of plots selected from this landscape for this study. Both landscapes exhibited an asynchronous, bimodal regime of leaf fall in response to precipitation. Leaf litter peaks prior to the wet season likely occur in response to water stress, while peaks after the wet season that coincided with increasing solar irradiation are likely the result of a leaf turnover strategy to optimize photosynthesis. Ecological succession in these landscapes does not appear limited in leaf litter production, but further research on the drivers of leaf litter production recovery is necessary to adequately guide intervention efforts.
Developmental Trajectories of Internalizing and Externalizing Symptoms in Youth and Associated Gender Differences: A Directed Network Perspective
Authors: Liu Kevin , Thompson Ryan C. , Watson Jessica , Montena Alexandra L. , Warren Stacie L.
Published: August 2023

Psychopathology in youth is highly prevalent and associated with psychopathology in adulthood. However, the developmental trajectories of psychopathology symptoms, including potential gender differences, are markedly underspecified. The present study employed a directed network approach to investigate longitudinal relationships and gender differences among eight transdiagnostic symptom domains across three years, in a homogenous age sample of youth participants (n = 6,414; mean baseline age = 10.0 years; 78.6% White; Adolescent Brain Cognitive Development study). Anxious/depressed problems and aggressive behaviors were central symptoms and most predictive of increases in other symptom clusters at later timepoints. Rule-breaking behaviors, aggressive behaviors, and withdrawn/depressed problems emerged as bridge symptoms between externalizing and internalizing problems. Results supported cascade models in which externalizing problems predicted future internalizing problems, but internalizing problems also significantly predicted future externalizing problems, which is contrary to cascade models. Network structure, symptom centrality, and patterns of bridge symptoms differed between female and male participants, suggesting gender differences in the developmental trajectories of youth psychopathology. Results provide new insights into symptom trajectories and associated gender differences that may provide promising pathways for understanding disorder (dis)continuity and co-occurrence. The central and bridge symptoms identified here may have important implications for screening and early intervention for youth psychopathology.
Probing semiconductor quantum well qubits and associated Shannon entropy using semi-relativistic quantum mechanics
Authors: Tshipa Moletlanyi
Published: August 2023

Electron states in GaAs, GaN and AlN quantum wells are studied by solving a semi-relativistic wave equation within the effective mass approximation. The quantum states are in turn used to probe the properties of two-level qubits formed in the different quantum wells at various temperatures. Results indicated that the period of oscillation between the quantum states increases with increasing width of the quantum wells, with AlN having the longest period and shortest for GaAs. Transition rates were also studied, since their product with the period of oscillation yield important information concerning the feasibility of carrying out a quantum computation. This product is equivalent to the ratio of the period of oscillation between states to the lifetime of an electron in an excited state. From the results, GaAs quantum wells may be preferable as they have the lowest ratio compared with the other quantum wells of other materials. AlN has the highest ratio of the three semiconductors considered here. Shannon entropy in the different quantum wells was studied also. It was found that the entropy in GaAs quantum wells varies rapidly through the passage of time, while those of GaN and AlN vary relatively slowly.
Attention and cognitive penetration: reflections on Dustin Stokes’ Thinking and Perceiving
Authors: Wu Wayne
Published: August 2023

Dustin Stokes book Thinking and Perceiving is a substantial achievement. In this comment, I discuss issues related to cognitive penetration. While I agree with Stokes’ criticisms of Fodor and Pylyshyn’s discussion of cognitive penetration with respect to the role of attention, I provide a supporting, but different argument against how they understand attention. I also emphasize that the common appeal to behavioural data in arguing for cognitive penetration is less effective than an argument that supplements behavioural data with computational models. I sketch how drawing on computational models strengthens the case for the cognitive penetration of attention by intention. This suggests that cognitive penetration is as common as intentional action.
Thermodynamic Evaluation and Optimization of the As–Cd, As–Zn and As–Cd–Zn Systems
Authors: Kidari Oumaima , Chartrand Patrice
Published: August 2023

In this work, a critical evaluation of all available phase diagrams and thermodynamic data for the As–Cd, As–Zn and As–Cd–Zn systems has been performed and thermodynamic assessments over the whole composition ranges are presented using the CALPHAD method. To predict thermodynamic properties and phase equilibria for these systems, the Modified Quasichemical Model for short range ordering was used for the liquid phase and the Compound Energy Formalism was used for the solid solutions. The optimized binary systems are in good agreement with existing experimental data. Within the ternary system predicted phase equilibria, the $${\text{ZnAs}}_{2}{-}{\text{CdAs}}_{2}$$

ZnAs
2

-

CdAs
2

and $${{\text{Zn}}_{3}\text{As}}_{2}{-}{{\text{Cd}}_{3}\text{As}}_{2}$$

Zn
3

As

2

-

Cd
3

As

2

sections are in good agreement with the experimental data. Also, the eutectic temperature is accurately optimized for $${\text{ZnAs}}_{2}{-}{{\text{Cd}}_{3}\text{As}}_{2}$$

ZnAs
2

-

Cd
3

As

2

and $${{\text{Zn}}_{3}\text{As}}_{2}{-}{\text{CdAs}}_{2}$$

Zn
3

As

2

-

CdAs
2

. However, the calculated liquidus of these two joins are less satisfactory compared to the experimental data. This is most likely due to the polymerization behavior of arsenic and its multivalence, which is not considered by the model used in this work.