bluuebunny/crossref_metadata_2025_split huggingface dataset:
Assessing the performance of a targeted absolute quantification isotope dilution liquid chromatograhy tandem mass spectrometry assay versus a commercial nontargeted relative quantification assay for detection of three major perfluoroalkyls in human blood
Authors: Salihovic Samira , Dunder Linda , Lind Monica , Lind Lars 
Published: January 2024

AbstractIsotope dilution ultrahigh‐performance liquid chromatography coupled to tandem mass spectrometry (UHPLC–MS/MS) is commonly used for trace analysis of polyfluoroalkyl and perfluoroalkyl substances (PFAS) in difficult matrices. Commercial nontargeted analysis of major PFAS where relative concentrations are obtained cost effectively is rapidly emerging and is claimed to provide comparable results to that of absolute quantification using matrix matched calibration and isotope dilution UHPLC–MS/MS. However, this remains to be demonstrated on a large scale. We aimed to assess the performance of a targeted absolute quantification isotope dilution LC–MS/MS assay versus a commercial nontargeted relative quantification assay for detection of three major PFAS in human blood. We evaluated a population‐based cohort of 503 individuals. Correlations were assessed using Spearman's rank correlation coefficients (rho). Precision and bias were assessed using Bland–Altman plots. For perfluorooctane sulfonic acid, the median concentrations were 5.10 ng/mL (interquartile range [IQR] 3.50–7.24 ng/mL), the two assays correlated with rho 0.83. For perfluorooctanoic acid, the median concentrations were 2.14 ng/mL (IQR 1.60–3.0 ng/mL), the two assays correlated with rho 0.92. For perfluorohexanesulfonate, the median concentrations were 5.5 ng/mL (IQR 2.50–11.61 ng/mL), the two assays correlated with rho 0.96. The Bland–Altman statistical test showed agreement of the mean difference for the majority of samples (97–98%) between the two assays. Absolute plasma concentrations of PFAS obtained using matrix matched calibration and isotope dilution UHPLC–MS/MS show agreement with relative plasma concentrations from a nontargeted commercial platform by Metabolon. We observed striking consistency between the two assays when examining the associations of the three PFAS with cholesterol, offering additional confidence in the validity of utilizing the nontargeted approach for correlations with various health phenotypes.
Application of sandpaper spray ionization mass spectrometry to comprehensively examine maple leaves infected with distinct fungi
Authors: Parasecolo Leonardo , Dabija Laurentiu G. , Shouk Rani , Shouk Dani , Augusti Rodinei , Ifa Demian R. 
Published: January 2024

AbstractThis study describes a novel application for sandpaper spray ionization mass spectrometry (SPS‐MS), to examine the surface of maple tree (Acer sp.) leaves. By comparing mass spectrometry fingerprints, healthy leaves from those infected with powdery mildew and Rhytisma acerinum were distinguished. Leaves were grated with sandpaper, cut into triangles, and placed before the mass spectrometer, with the addition of a methanol‐formic acid solution. Multivariate statistical analysis categorized the samples into three groups. Overall, SPS‐MS effectively analyzed leaves with infectious microorganisms, potentially aiding in the creation of fungal identification databanks.
Improved chlorophyll fluorescence, photosynthetic rate, and plant growth of Brassica napus L. after co‐application of biochar and phosphorus fertilizer in acidic soil
Authors: El‐Desouki Zeinab , Xia Hao , Abouseif Yehia , Cong Ming , Zhang Mengyang , Riaz Muhammad , Moustafa‐Farag Mohamed , Jiang Cuncang 
Published: January 2024

AbstractAimsBiochar has been used as an amendment to improve soil fertility and increase crop yield. A pot trial and incubation experiment were conducted to evaluate the effects of combined biochar and phosphate fertilizer applications on changes in soil physiochemical properties, photosynthetic parameters, and plant growth of Brassica napus L. in acidic soil.MethodsBiochar (B) was applied at rates (B0: 0%, B1: 2%, and B2: 4% w/w) to the soil, while phosphorus (P) as KH2PO4 was added at P0: 0 mg kg–1 soil, P1: 100 mg kg–1 soil, and P2: 150 mg kg–1 soil. Non‐amended soil served as the control (Ck).ResultsThe study found that the maximum photochemical quantum yield of photosystem II (Fv/Fm) and non‐photochemical quenching were affected by biochar and P fertilizer treatments. The Fv/Fm was significantly lower in the Ck while the highest in B2P1. Compared to the Ck treatment, the electron transport rate and photosynthetic rate were significantly increased under the application of biochar with P fertilizer. Additionally, malondialdehyde content declined by 68.9% when biochar was added with P fertilizer treatments. Furthermore, the plant P content and plant growth parameters were significantly increased. Biochar with and without P fertilizer treatments increased soil pH significantly, compared to the application of P fertilizer alone. Water‐soluble P decreased with incubation time, while Al‐P decreased significantly by 69.9% and 76.4% under B1 and B2 treatments, respectively, compared to CK.ConclusionThe findings revealed a positive effect of the combined application of biochar with phosphate fertilizer on the growth of oilseed rape in acidic soil.
Raman and photoluminescence signal separation in Raman hyperspectral imagery including noise reduction
Authors: Goedhart Jonne J. , Kuipers Thijs P. , Papadakis Vassilis M. 
Published: January 2024

AbstractRaman hyperspectral imaging (RHSI) is a valuable tool for gaining crucial information about the chemical composition of materials. However, obtaining clear Raman signals is not always a trivial task. Raw Raman signals can be susceptible to photoluminescence interference and noise. Hence, the preprocessing of RHSI is a required step for an effective and reliable chemical analysis. The main challenge is splitting the measured RHSI into separate Raman photoluminescence signals. Since no golden‐standard exists, it is non‐trivial to validate the correctness of the separated signals. While current state‐of‐the‐art preprocessing methods are effective, they require expert knowledge and involve unintuitive hyperparameters. Current approaches also lack generalizability, requiring extensive hyperparameter tuning on a case‐by‐case basis, while even then results are not always as expected. To this end, this work proposes a novel iterative RHSI preprocessing pipeline for splitting raw Raman signals and noise removal based on linear spline and radial basis function regression (IlsaRBF). The proposed method involves hyperparameters based on the physical properties of Raman spectroscopy, making them intuitive to use. This leads to more robust and stable hyperparameters, reducing the necessity for extensive hyperparameter tuning. A thorough evaluation shows that the proposed method outperforms the current state‐of‐the‐art. Additionally, a cosmic ray identification and removal algorithm (CRIR) and dynamic PCA for noise reduction are introduced. A standalone tool containing our proposed methods is provided, making RHSI preprocessing available to a broader audience, aiding further research and advancements in the field of Raman spectroscopy.
Atopic dermatitis and stress: A functional magnetic resonance imaging study of female patients with atopic dermatitis using an arithmetic task
Authors: Jonsson Tomas , Li Tie‐Qiang , Abdelhadi Saly , Lönndahl Louise , Theodorsson Elvar , Nordlind Klas 
Published: January 2024

AbstractBackgroundAtopic dermatitis (AD) is a chronic inflammatory skin disorder characterized by eczematous lesions, dry skin and persistent itch. AD may worsen due to psychological stress. However, little is known about the neural correlates that mediate the interaction between psychological stress and AD.ObjectivesTo identify the possible difference in brain activation during arithmetic‐task induced stress in patients with AD versus healthy controls (HC) as well as the link between the brain response and clinical and psychodemographic parameters.MethodsA cohort of 29 AD female patients and 23 matched HC were recruited to investigate the potential difference in functional magnetic resonance imaging (fMRI) response to a block‐designed arithmetic paradigm. Both the HC and AD subjects were evaluated regarding their psychological traits, and for the AD subjects also their clinical characteristics, including stress indicators such as heart rate and salivary cortisol. We employed both univariate and multivariate statistical methods to analyse the blood oxygen level dependent (BOLD) fMRI response of the subjects to the block‐designed arithmetic paradigm.Results(1) Compared with HC subjects, the AD patients depict less deactivation in the default mode network including right angular gyrus, bilateral temporal pole and temporal lobe in response to the arithmetic task. (2) The BOLD fMRI response amplitude in the right postcentral gyrus and inferior parietal lobule is positively correlated with the stress susceptibility scores in the AD subjects, whereas the trend was the opposite of this for the HC subjects. (3) The activation in the postcentral gyrus also shows a correlation with the degree of itch in the AD patients.ConclusionsThe BOLD fMRI measurements based on an arithmetic paradigm can provide useful insight into altered brain processing and its association with psychological traits and clinical characteristics in subjects with AD. Psychological stress exacerbates brain activities for the AD subjects in the motor, somatosensory association cortex, perception and sensory integration processing. The postcentral gyrus might be of particular interest for itch and stress.
Organic matter, eutrophication, and increased mass accumulation rates in the Anthropocene are the main drivers of mercury concentrations and historical enrichment in Canadian lake sediments
Authors: Beaulieu Marieke , Amyot Marc , Griffiths Katherine , Dastoor Ashu , Jeziorski Adam , Gregory‐Eaves Irene 
Published: January 2024

AbstractMercury (Hg) contamination in the environment is a persistent issue as emissions from industry are ongoing and legacy cycling is prolonged. To quantify total mercury (total Hg) and methylmercury (MeHg) concentrations in lake sediments across a wide suite of temperate to subarctic lakes, measurements and modeling were conducted for 320 sites across Canada. Total Hg varied from 7 to 567 ng g−1 dry sediment with a mean (median) value of 148 (128) ng g−1 dry sediment, with lowest concentrations observed in eutrophic lakes of the Prairies and Boreal Plains. Average total Hg concentrations have increased twofold in contemporary sediments relative to their preindustrial pair. MeHg concentrations were generally low, with a mean of 0.8 ng g−1 dry sediment and this form representing on average 0.6% of the total contemporary mercury concentrations. Water column variables related to eutrophication were among the strongest predictors of contemporary total Hg, MeHg, and total Hg enrichment in the sediments. In lakes where sediment radiometric data were collected, contemporary total Hg accumulation rates were strongly related to longitude(+) and Hg atmospheric deposition(+). Latitude(−) and Hg atmospheric deposition(+) were the best predictors of MeHg accumulation rates. Chromophoric dissolved organic matter optical properties were key predictors of both total Hg concentrations and accumulation rates. Our work highlights the paramount importance of lake trophic state and the nature of organic matter as key predictors of lake sediment mercury metrics.
The MatHub‐3d first‐principles repository and the applications on thermoelectrics
Authors: Liu Lu , Yao Mingjia , Wang Yuxiang , Jin Yeqing , Ji Jialin , Luo Huifang , Cao Yan , Xiong Yifei , Sheng Ye , Li Xin , Qiu Di , Xi Lili , Xi Jinyang , Zhang Wenqing , Chen Lidong , Yang Jiong 
Published: January 2024

AbstractFollowing the Materials Genome Initiative project, materials research has embarked a new research paradigm centered around material repositories, significantly accelerating the discovery of novel materials, such as thermoelectrics. Thermoelectric materials, capable of directly converting heat into electricity, are garnering increasing attention in applications like waste heat recovery and refrigeration. To facilitate research in this emerging paradigm, we have established the Materials Hub with Three‐Dimensional Structures (MatHub‐3d) repository, which serves as the foundation for high‐throughput (HTP) calculations, property analysis, and the design of thermoelectric materials. In this review, we summarize recent advancements in thermoelectric materials powered by the MatHub‐3d, specifically HTP calculations of transport properties and material design on key factors. For HTP calculations, we develop the electrical transport package for HTP purpose, and utilize it for materials screening. In some works, we investigate the relationship between transport properties and chemical bonds for particular types of thermoelectric compounds based on HTP results, enhancing the fundamental understanding about interested compounds. In our work associated with material design, we primarily utilize key factors beyond transport properties to further expedite materials screening and speedily identify specific materials for further theoretical/experimental analyses. Finally, we discuss the future developments of the MatHub‐3d and the evolving directions of database‐driven thermoelectric research.
Defining field output factors in small fields based on dose area product measurements: A feasibility study
Authors: Jurczak Julien , Rapp Benjamin , Bordy Jean‐Marc , Josset Stephanie , Dufreneix Stephane 
Published: January 2024

AbstractBackgroundDose area product in water (DAPw) in small fields relies on the use of detectors with a sensitive area larger than the irradiation field. This quantity has recently been used to establish primary standards down to 5 mm field size, with an uncertainty smaller than 0.7%. It has the potential to decrease the uncertainty related to field output factors, but is not currently integrated into treatment planning systems.PurposeThis study aimed to explore the feasibility of converting DAPw into a point dose in small fields by determining the volume averaging correction factor. By determining the field output factors, a comparison between the so‐called “DAPw to point dose” approach and the IAEA TRS483 methodology was performed.MethodDiodes, microdiamonds, and a micro ionization chamber were used to measure field output factors following the IAEA TRS483 methodology on two similar linacs equipped with circular cones down to 6 mm diameter. For the “DAPw to point dose” approach, measurements were performed with a dedicated and built‐in‐house 3 cm diameter plane‐parallel ionization chamber calibrated in terms of DAPw in the French Primary Dosimetry Standards Laboratory LNE‐LNHB. Beam profile measurements were performed to generate volume averaging correction factors enabling the conversion of an integral DAPw measurement into a point dose and the determination of the field output factors. Both sets of field output factors were compared.ResultsAccording to the IAEA TRS483 methodology, field output factors were within ±3% for all detectors on both linacs. Large variations were observed for the volume averaging correction factors with a maximum spread between the detectors of 26% for the smallest field size. Consequently, deviations of up to 15% between the “IAEA TRS483” and the “DAPw to point dose” methodologies were found for the field output factor of the smallest field size. This was attributed to the difficulty in accurately determining beam profiles in small fields.ConclusionAlthough primary standards associated with small uncertainties can be established in terms of DAPw in a primary laboratory, the “DAPw to point dose” methodology requires volume averaging correction to derive a field output factor from DAPw measurements. None of the point detectors studied provided satisfactory results, and additional work using other detectors, such as film, is still required to allow the transfer of a DAP primary standard to users in terms of absorbed point dose.
3T 31P/1H calf muscle coil for 1H and 31P MRI/MRS integrated with NIRS data acquisition
Authors: Zhang Bei , Lowrance Daniel , Sarma Manoj Kumar , Bartlett Miles , Zaha David , Nelson Michael D. , Henning Anke 
Published: January 2024

AbstractPurposeOur aim was to design and build a 3T 31P/1H calf coil that is capable of providing both good 31P and 1H transmit and receive performance, as well as being capable of accommodating a near‐infrared spectroscopy (NIRS) device for simultaneous NIRS data and MRI/MRS acquisition.MethodIn this work, we propose a new 3T 31P/1H birdcage combination design consisting of two co‐centrically positioned birdcages on the same surface to maximize transmit efficiency and sensitivity for both nuclei. The 31P birdcage is a high‐pass birdcage, whereas the 1H birdcage is a low‐pass one to minimize coupling. The diameter of the 31P/1H birdcage combination was designed to be large enough to accommodate a NIRS device for simultaneous NIRS data and MRI/MRS acquisition.ResultsThe one‐layer coil structure of the birdcage combination significantly streamlines the mechanical design and coil assembly process. Full‐wave simulation results show that the 31P and 1H are very well decoupled with each other, and the 1H and 31P SNR surpasses that of their standalone counterparts in the central area. Experiment results show that the inclusion of a NIRS device does not significantly affect the performance of the coil, thus enabling simultaneous NIRS and MRI readouts during exercise.ConclusionOur findings demonstrate the feasibility and effectiveness of this dual‐tuned coil design for combined NIRS and MRS measurements, offering potential benefits for studying metabolic and functional changes in the skeletal muscle in vivo.
Understanding consumers to inform market interventions for Singapore's shark fin trade
Authors: Choy Christina , Booth Hollie , Veríssimo Diogo 
Published: January 2024

Abstract

Sharks, rays and their cartilaginous relatives (Class Chondrichthyes, herein ‘sharks’) are among the world's most threatened species groups, primarily due to overfishing, which in turn is driven by complex market forces including demand for fins. Understanding the high‐value shark fin market is a global priority for conserving shark and rays, yet the preferences of shark fin consumers are not well understood. This gap hinders the design of evidence‐based consumer‐focused conservation interventions.

Using an online discrete choice experiment, we explored preferences for price, quality, size, menu types (as a proxy for exclusivity) and source of fins (with varying degrees of sustainability) among 300 shark fin consumers in Singapore: a global entrepôt for shark fin trade.

Overall, consumers preferred lower priced fins sourced from responsible fisheries or produced using novel lab‐cultured techniques. We also identified four consumer segments, each with distinct psychographic characteristics and consumption behaviours.

These preferences and profiles could be leveraged to inform new regulatory and market‐based interventions regarding the sale and consumption of shark fins, and incentivize responsible fisheries and lab‐cultured innovation for delivering conservation and sustainability goals.

In addition, message framing around health benefits, shark endangerment and counterfeiting could reinforce existing beliefs among consumers in Singapore and drive behavioural shifts to ensure that market demand remains within the limits of sustainable supply.

Read the free Plain Language Summary for this article on the Journal blog.
Sustainable polylactide/polycaprolactone based polyurethane blends fabricated via reactive compatibilization
Authors: Li Haochen , Li Rongbo , Zhang Xiang , Xing Qian 
Published: January 2024

AbstractA series of polylactide (PLA)/polycaprolactone‐based polyurethane (PCLU) blends were prepared by reactive blending of PLA with polycaprolactone diol (PCL diol) and hexamethylene diisocyanate (HDI). The reaction mechanism, compatibility, crystallization behavior and the mechanical properties of the PLA/PCLU blends were investigated. It was demonstrated that the hydroxyl group of PCL diol or PLA could react with the isocyanate (NCO) group of HDI to form PCLU or PLA‐co‐PCLU in situ, thereby improving the interfacial compatibility between PLA and PCLU phases. Phase‐separated morphology with the PCLU dispersed in the PLA matrix was observed for the PLA blends with an obscure interphase. The thermal and cold crystallization ability of PLA were retarded. PLA/PCLU blend showed higher impact strength and elongation at break compared with pure PLA. Specifically, at a 40 wt% feed ratio of PCL diol, the impact strength reached an impressive 28 kJ m−2. Notably, the shape memory performance of the blend showed a substantial improvement, achieving a remarkable shape recovery rate of 96.3% at the same 40 wt% PCL diol feed ratio. The mechanisms governing both toughening and shape memory enhancement in the blend were thoroughly elucidated.
GMP/Al2O3/ZnO/PDMS thermal interface materials with anisotropic thermal conductivity and electrical insulation ability obtained by 3D‐printing method
Authors: Wang Xu , Ding Dongliang , Yang Zhe , Zhang Shiyu , Sun Zhe , Liu Zhenguo , Zhang Qiuyu , Chen Yanhui 
Published: January 2024

AbstractDue to the continuous increase in power density and power consumption, thermal management has become a crucial issue in electronic devices like integrated circuits. Polymer‐based thermal conductive composites possess excellent thermal and mechanical properties, making them ideal materials for thermal management in the modern microelectronic industry. In this work, we present a combination of filler hybridization strategy and 3D‐printing technology to synergistically enhance the thermal conductivity of graphite microplatelets (GMP)/alumina (Al2O3)/zinc oxide (ZnO)/polydimethylsiloxane (PDMS) composite (o‐GAZP). When the content of GMP reaches 4.5 vol%, the 3D‐printed composite material exhibits a directional thermal conductivity of up to 4.51 W m−1 K−1. This value is significantly higher than the thermal conductivity of a randomly mixed GMP/Al2O3/ZnO/PDMS composite (1.98 W m−1 K−1). The remarkable thermal conductivity can be attributed to the anisotropic structural design, which benefits from the orientation of GMP and the creation of a multi‐scale dense structure through filler compounding. Additionally, the presence of Al2O3 and ZnO effectively separates the GMP particles, preventing the formation of electron transfer pathways and improving the electrical insulation performance of the composites. Furthermore, the impact of the anisotropic structural design on the thermal conductivity of the composites was verified through finite element simulation. This study demonstrates that constructing efficient thermally conductive and electrically insulating pathways by densely packing highly oriented two‐dimensional anisotropic graphite‐based fillers with uniformly dispersed thermally conductive and electrically insulating fillers is a simple and effective method to enhance the composites' thermal conductivity, electrical resistivity, and mechanical properties simultaneously. These findings hold great potential for various scalable thermal‐related applications. By implementing this approach, composites can exhibit excellent thermal conductivity, high electrical resistivity, and superior mechanical performance.