bluuebunny/crossref_metadata_2025_split huggingface dataset:
Bioavailability of zinc and iron in durum wheat: A trade‐off between grain weight and nutrition?
Authors: Tran Binh T.T. , Cavagnaro Timothy R. , Able Jason A. , Watts‐Williams Stephanie J. 
Published: October 2020

Societal Impact StatementMicronutrients such as zinc and iron are critical for human health. For the world's population that relies on cereal products to obtain micronutrients, the bioavailability (absorption of nutrients in the gut) can be hindered by an anti‐nutritional compound, phytate. Phytate accumulation in grain is affected by soil properties including phosphorus availability and arbuscular mycorrhizal (AM) fungi. Here, we investigated the effects of AM fungi and soil phosphorus fertilization on micronutrient bioavailability in durum wheat and found that fertilization greatly decreased the bioavailability of micronutrients, but AM fungi can take up more micronutrients, which can lead to improved bioavailability when the soil is not fertilized.Summary

The bioavailability of micronutrients (zinc [Zn] and iron [Fe]) in cereal crops such as durum wheat is critically important for human nutrition. Bioavailability is a product of complex interactions between plant phosphorus (P) uptake and storage in grain (as phytate), and plant micronutrient uptake. The bioavailability of Zn and Fe in cereal grain is affected by soil nutrient concentrations and associations with arbuscular mycorrhizal (AM) fungi, but has been scarcely studied.
A geographically diverse collection of 101 durum wheat genotypes was surveyed for grain bioavailability of Zn and Fe. Ten genotypes were then selected and grown with and without AM fungal inoculation and soil P fertilization to understand the effects of manipulating soil P availability and uptake on micronutrient bioavailability.
The strongest negative effect on grain micronutrient bioavailability was soil P fertilization, however, it also led to increased grain weight. Crop variety selection had the greatest variation in the P‐fertilized soil, but AM fungal inoculation had a positive effect on bioavailability in one variety in the non‐fertilized soil.
In order to grow more nutritious durum wheat crops, variety selection and AM fungal inoculation are important considerations. In general, there is a trade‐off between grain weight (yield) and micronutrient bioavailability in grain that could be addressed through breeding P‐deficiency tolerant varieties.
Structural basis for thioredoxin isoform‐based fine‐tuning of ferredoxin‐thioredoxin reductase activity
Authors: Juniar Linda , Tanaka Hideaki , Yoshida Keisuke , Hisabori Toru , Kurisu Genji 
Published: October 2020

AbstractPhotosynthetic electron transport occurs on the thylakoid membrane of chloroplasts. Ferredoxin (Fd), the final acceptor in the electron transport chain, distributes electrons to several Fd‐dependent enzymes including Fd‐thioredoxin reductase (FTR). A cascade from Fd to FTR further reduces Thioredoxin (Trx), which tunes the activity of target metabolic enzymes eventually in a light‐dependent manner. We previously reported that 10 Trx isoforms in Arabidopsis thaliana can be clustered into three classes based on the kinetics of the FTR‐dependent reduction (high‐, middle‐, and low‐efficiency classes). In this study, we determined the X‐ray structure of three electron transfer complexes of FTR and Trx isoform, Trx‐y1, Trx‐f2, and Trx‐m2, as representative examples of each class. Superposition of the FTR structure with/without Trx showed no main chain structural changes upon complex formation. There was no significant conformational change for single and complexed Trx‐m structures. Nonetheless, the interface of FTR:Trx complexes displayed significant variation. Comparative analysis of the three structures showed two types of intermolecular interactions; (i) common interactions shared by all three complexes and (ii) isoform‐specific interactions, which might be important for fine‐tuning FTR:Trx activity. Differential electrostatic potentials of Trx isoforms may be key to isoform‐specific interactions.
Understanding changes of the continuous ranked probability score using a homogeneous Gaussian approximation
Authors: Leutbecher Martin , Haiden Thomas 
Published: October 2020

AbstractImproving ensemble forecasts is a complex process which involves proper scores such as the continuous ranked probability score (CRPS). A homogeneous Gaussian (hoG) model is introduced in order to better understand the characteristics of the CRPS. An analytical formula is derived for the expected CRPS of an ensemble in the hoG model. The score is a function of the variance of the error of the ensemble mean, the mean error of the ensemble mean and the ensemble variance. The hoG model also provides a score decomposition into reliability and resolution components. We examine whether the hoG model provides a useful approximation of the CRPS when applied to operational ECMWF medium‐range ensemble forecasts. The hoG approximation describes the spatial variations of the CRPS well while moderately overestimating the mean score. Seasonal averages over large domains are within 10% of the actual CRPS. Furthermore, the ability to approximate score changes is evaluated by (a) comparing raw ensemble forecasts with postprocessed ensemble forecasts, and (b) by examining score changes associated with a recent upgrade of the IFS. Overall, the hoG approximation predicts the actual CRPS changes well. One of the main anticipated applications of the hoG approximation are new diagnostics in verification software used by NWP developers routinely. The purpose of the diagnostics is to help developers explain impacts of forecast system changes on the CRPS in terms of the changes in mean error, changes in error variance and changes in ensemble variance. The diagnostics require little additional computational resources compared to the alternative of verifying postprocessed versions of the ensemble forecasts. Therefore, it will be feasible to apply the diagnostics easily to all variables that are examined as part of the model development process.
Interference in Atomic Magnetometry
Authors: Jiang Min , Xu Wenjie , Li Qing , Wu Ze , Suter Dieter , Peng Xinhua 
Published: October 2020

AbstractAtomic magnetometers are highly sensitive detectors of magnetic fields that monitor the evolution of the macroscopic magnetic moment of atomic vapors, and opening new applications in biological, physical, and chemical science. However, the performance of atomic magnetometers is often limited by hidden systematic effects that may cause misdiagnosis for a variety of applications, for example, in nuclear magnetic resonance (NMR) and in biomagnetism. In this work, a hitherto unexplained interference effect in atomic magnetometers is uncovered, which causes an important systematic effect to greatly deteriorate the accuracy of measuring magnetic fields. A standard approach to detecting and characterizing the interference effect in, but not limited to, atomic magnetometers is presented. As applications of the work, the effect of the interference in NMR structural determination and locating the brain electrophysiological symptom is considered, and it is shown that it will help to improve the measurement accuracy by taking interference effects into account. Through the experiments, good agreement is indeed found between the prediction and the asymmetric amplitudes of resonant lines in ultralow‐field NMR spectra—an effect that has not been understood so far. It is anticipated that the work will stimulate interesting new researches for magnetic interference phenomena in a wide range of magnetometers and their applications.
Using two‐dimensional modeling to evaluate strategies of sediment reduction and evacuation for Nanshi river under Guishan dam operations
Authors: Su Ho‐Ting , You Gene Jiing‐Yun , Chu Chia‐Chu 
Published: October 2020

AbstractThis paper presents a unique case study of Nanshi River in Taiwan which may be able to serve as the basis for decision making and river maintenance operations or as a reference for other cases. This study area is composed of regions from upstream alluvial channel to delta‐front and the Guishan Dam reservoir, with a surplus of material supply to transport capacity in the whole region. Dredging is a standard method by which to deal with the accumulation of sediment within a watercourse; however, our understanding of hydrodynamics and sedimentation is limited by the complexity of the sedimentation process. In addition, most of the similar geomorphological studies did not pay attention to the upstream effects of reservoirs on alluvial channels. Similar examples are more often observed in estuaries and coastal zones. Our objective was to evaluate the morphological impact of river dredging implemented in conjunction with downstream gate operations by employing a 2D hydraulic sediment model, SRH‐2D. With the assistance of the model simulations, we revealed that the deposition in the study area is under the interaction among three main mechanisms: headward deposition of the dam, channel width contraction in midstream, and progressive deposition of sediment from the confluence. Accordingly, this study suggested that dredging focuses on the creation of deep trenches in the midstream and upstream sections. It is also important to coordinate gate operations at Guishan Dam with peak flows in order to facilitate the transport of sediment to the reservoir for subsequent discharge via empty flushing. Regarding the effect of Guishan Dam removal, it would have a more pronounced effect on head cutting which leading to erosion in the reservoir and the downstream transport of substantial quantities of sediment, but its effect would be limited to a certain distance. However, dam removal is not considered a viable option considering the need for local water storage and the benefits of the dam in terms of tourism.
Energetic Metal–Organic Frameworks Derived Highly Nitrogen‐Doped Porous Carbon for Superior Potassium Storage
Authors: Tong Huigang , Wang Changlai , Lu Jian , Chen Shi , Yang Kang , Huang Minxue , Yuan Qing , Chen Qianwang 
Published: October 2020

AbstractThe carbonaceous materials with low cost and high safety have been considered as promising anodes for potassium‐ion batteries (PIBs). However, it is still a challenge to design a carbonaceous material with long cycle life and high rate performance due to the poor K+ reaction kinetics. Herein, this article reports a N‐doped porous carbon framework (NPCF) with a high nitrogen content of 13.57 at% within high doping level of the pyrrolic N and pyridinic N, which exhibits a high reversible capacity of 327 mA h g−1 over 100 cycles at a current density of 100 mA g−1, excellent rate capability (144 and 105 mA h g−1 at 10 and 20 A g−1, respectively) and great cyclability of 258.9 mA h g−1 after 2000 cycles at 1 A g−1. Such a high rate performance and excellent cycling stability anode material is seldom reported in PIBs. Density functional theory (DFT) calculations reveal that the pyrrolic and pyridinic N‐doping are helpful to enhance the K adsorption ability, thereby increasing the specific capacity.
The versatility of creaky phonation: Segmental, prosodic, and sociolinguistic uses in the world's languages
Authors: Davidson Lisa 
Published: October 2020

AbstractCreaky phonation (also known as creaky voice, vocal fry, laryngealization, or glottalization) is a voice quality that refers to shortened and thickened vocal folds that vibrate at a low and quasi‐regular fundamental frequency with a long period of damping. Cross‐linguistically, creaky phonation can span either short or long domains. When implemented on individual vowels or consonants (as in Zapotec or Montana Salish), it can signal phonemic contrast with other voice qualities, or it can be an additional acoustic cue to enhance other contrasts, such as tone (as in Mandarin or Cantonese). Another segmental use of creaky phonation in many languages is as a variant of glottal stop. Creaky phonation can also be implemented as a prosodic element that signals the end of a phrase (as in English or Mandarin), or indicates relinquishing a conversational turn (as in Finnish). It can also express meaning in a social interaction, such as irritation (in Vietnamese). Lastly, creaky phonation can be deployed as a sociolinguistic marker to establish identities, convey affect, or distinguish one speech group from another within the same language. In some social circumstances, such as the perception that young women use creaky phonation at greater rates than men do, it can be evaluated negatively by listeners. As creaky phonation can be combined with linguistic elements at various levels and is easily perceptible, it has taken on a remarkable number of roles in our linguistic repertoires.This article is categorized under:Linguistics > Language in Mind and Brain
Stress-constrained optimization using graded lattice microstructures
Authors: Thillaithevan Dilaksan , Bruce Paul , Santer Matthew 
Published: October 2020

AbstractIn this work, we propose a novel method for predicting stress within a multiscale lattice optimization framework. On the microscale, a scalable stress is captured for each microstructure within a large, full factorial design of experiments. A multivariate polynomial response surface model is used to represent the microstructure material properties. Unlike the traditional solid isotropic material with a penalization-based stress approach or using the homogenized stress, we propose the use of real microscale stress components with macroscale strains through linear superposition. To examine the accuracy of the multiscale stress method, full-scale finite element simulations with non-periodic boundary conditions were performed. Using a range of microstructure gradings, it was determined that 6 layers of microstructures were required to achieve periodicity within the full-scale model. The effectiveness of the multiscale stress model was then examined. Using various graded structures and two load cases, our methodology was shown to replicate the von Mises stress in the center of the unit lattice cells to within 10% in the majority of the test cases. Finally, three stress-constrained optimization problems were solved to demonstrate the effectiveness of the method. Two stress-constrained weight minimization problems were demonstrated, alongside a stress-constrained target deformation problem. In all cases, the optimizer was able to sufficiently reduce the objective while respecting the imposed stress constraint.
The nutritional and cardiovascular health benefits of rapeseed oil-fed farmed salmon in humans are not decreased compared with those of traditionally farmed salmon: a randomized controlled trial
Authors: de Roos Baukje , Wood Sharon , Bremner David , Bashir Shabina , Betancor Monica B. , Fraser William D. , Duthie Susan J. , Horgan Graham W. , Sneddon Alan A. 
Published: October 2020

Abstract
Purpose
Farmed fish are increasingly raised on feeds containing vegetable oils, which affects their composition and possibly health properties. We investigated the effects of consuming farmed salmon, raised on different feeding regimes, on nutrient status and health outcomes in healthy subjects.

Methods
Salmon were grown on feeds containing mainly fish oil (FO) or rapeseed oil (RO), resulting in an eicosapentaenoic acid (EPA) + docosahexaenoic acid (DHA) content of fillets of 2.1 or 0.9 g/100 g, respectively. In a randomized parallel controlled trial, 51 healthy subjects were allocated to consume 2 portions/week of FO salmon (n = 17), RO salmon (n = 17) or no additional salmon (Control, n = 17) as part of their habitual diet, for 18 weeks. We collected blood at 0, 9 and 18 weeks to measure omega-3 index (O3I) in red blood cells, plasma markers of cardiovascular risk, serum 25(OH)-vitamin D3 (25(OH)D3) and plasma trace elements.

Results
After 18 weeks, O3I was similarly increased in subjects consuming 2 portions/week of FO or RO salmon compared to control (both p < 0.05). Serum 25(OH)D3 was significantly higher, whereas plasma triacylglycerols were significantly lower in subjects consuming RO salmon compared to control (both p < 0.05). Heart rate was significantly lower in subjects consuming FO salmon after 9 weeks, compared to control (p < 0.01). Salmon consumption did not affect other markers.

Conclusion
Consuming two portions/week of salmon raised on rapeseed oil rather than fish oil increased the O3I and vitamin D status, and decreased plasma triacylglycerols. These outcomes endorse opportunities for developing more sustainable feeds within aquaculture food systems.

Clinical trial registry
This trial was registered at clinicaltrials.gov as NCT01916434.
A mobile VR-based respiratory biofeedback game to foster diaphragmatic breathing
Authors: Rockstroh Christoph , Blum Johannes , Göritz Anja S. 
Published: October 2020

AbstractVirtual reality (VR) has become popular in mental health research. Several studies have explored the use of VR in the context of biofeedback protocols. In the present paper, we report on the development and evaluation of a VR-based respiratory biofeedback game to foster diaphragmatic breathing. The game integrates respiratory biofeedback, restorative VR and gamification. The game is designed to run on a mobile, all-in-one VR headset. Notably, an integrated VR hand controller is utilized as a sensor to detect respiration-induced movements of the diaphragm. In a longitudinal within-subjects study, we explored the feasibility of the game and tested the effectiveness of six training sessions. Participants reported a pleasant user experience. Moreover, the results show that the brief VR-based breathing training increased perceived breath awareness, improved diaphragmatic breathing, increased relaxation, decreased perceived stress, reduced symptoms of burnout and boosted relaxation-related self-efficacy. Future studies need to address the generalizability and long-term stability of the results, compare the approach with existing treatments and fine-tune the training components.
DeepCOMO: from structure-activity relationship diagnostics to generative molecular design using the compound optimization monitor methodology
Authors: Yonchev Dimitar , Bajorath Jürgen 
Published: October 2020

AbstractThe compound optimization monitor (COMO) approach was originally developed as a diagnostic approach to aid in evaluating development stages of analog series and progress made during lead optimization. COMO uses virtual analog populations for the assessment of chemical saturation of analog series and has been further developed to bridge between optimization diagnostics and compound design. Herein, we discuss key methodological features of COMO in its scientific context and present a deep learning extension of COMO for generative molecular design, leading to the introduction of DeepCOMO. Applications on exemplary analog series are reported to illustrate the entire DeepCOMO repertoire, ranging from chemical saturation and structure–activity relationship progression diagnostics to the evaluation of different analog design strategies and prioritization of virtual candidates for optimization efforts, taking into account the development stage of individual analog series.
Characterisation of the Contaminants Generated from a Large-Scale Ex-Situ Underground Coal Gasification Study Using High-Rank Coal from the South Wales Coalfield
Authors: Sadasivam Sivachidambaram , Zagorščak Renato , Thomas Hywel Rhys , Kapusta Krzysztof , Stańczyk Krzysztof 
Published: October 2020

AbstractThis paper presents an analysis of contaminants generated from large-scale, laboratory-based, underground coal gasification (UCG) experiments using a high-rank coal from the South Wales Coalfield. The experiments were performed at atmospheric and elevated pressures (30 bar) by varying the oxidants’ composition. The experiments were designed to predict the amount of produced water and contaminants generated at each stage of the operating conditions. The mass balance of water supplied and produced in the experiments was accounted for. Chemical analyses of produced water, char and ash contents were performed to quantify the inorganic and organic chemical parameters. Most of the contaminant concentrations in the produced water from the 30-bar pressure experiment were lower than the concentrations generated from the atmospheric pressure experiment. The measured concentrations of the inorganic chemical species and the inorganic parameters of the coal seam water from the South Wales Coalfield were used in theoretical calculations to predict the dominant equilibrium species concentrations in a hypothetical scenario of effluent contaminated groundwater. The biodegradation of organic contaminants such as phenol, benzene and sorbed fractions of inorganic contaminants from the produced water on iron oxide in the ash residue was predicted using existing biotransformation kinetics and surface complexation models, respectively. The biodegradation of phenol and benzene would be a slow process even at optimum conditions and the iron oxide left in the cavity can act as a sorbent for a few inorganic species. The evidence from the present study suggests future work towards (i) developing an appropriate water treatment process during gas cleaning, (ii) operational procedure (pressure and proportions of oxidant) and (iii) developing UCG-specific experimental prediction of contaminant transportation and transformation kinetics.