bluuebunny/crossref_metadata_2025_split huggingface dataset:
Influence of carbon side chain length on the in vivo pharmacokinetic and pharmacodynamic characteristics of illicitly manufactured fentanyls
Authors: Canfield Jeremy R. , Sprague Jon E. 
Published: December 2023

AbstractSince 2016, illicitly manufactured fentanyls and fentanyl analogs (referred to as IMFs) have contributed to an increase in drug overdoses. Although fentanyl has been characterized and evaluated extensively in animals and humans, many of the clandestinely synthesized analogs of fentanyl have not and users may unknowingly ingest these IMFs leading to overdose and potentially death. The pharmacodynamic (PD) and pharmacokinetic (PK) properties of four IMFs and fentanyl were evaluated in Sprague–Dawley rats. A 300‐μg/kg subcutaneous dose of each compound (fentanyl, acetylfentanyl, cyclopropylfentanyl, butyrylfentanyl, and valerylfentanyl) was given. PD parameters were measured using a tail flick meter and core body temperature. Blood was drawn to evaluate PK parameters utilizing liquid chromatography tandem mass spectrometry (LC–MS/MS). Fentanyl displayed the greatest and longest lasting analgesia with a tail flick response of 10 s (the maximum cutoff). Additionally, fentanyl produced an average −4.9°C in core body temperature resulting in the greatest decrease in core body temperature. Acetylfentanyl, with the shortest carbon side chain, displayed the shortest T½, and lowest AUC and Cmax and resulted in an increase in body temperature. There were no other PK differences among the IMFs assessed. As IMFs are commonly seen on the streets and can pose significant risks to users (although these risks do depend on other factors such as dose and route of administration), there is a benefit to having the pharmacological properties of these compounds characterized to better understand the potential harm to humans.
Advances in boron nitride‐based materials for electrochemical energy storage and conversion
Authors: Sun Dandan , Sun Zhipeng , Yang Dehong , Jiang Xiangfen , Tang Jie , Wang Xuebin 
Published: December 2023

AbstractEnergy storage and conversion (ESC) devices are regarded as predominant technologies to reach zero emission of carbon dioxide, which still face many challenges, such as poor safety, limited cycle life, low efficiency, etc. Hexagonal boron nitride (h‐BN), distinguished by its robust mechanical strength, chemical inertness, exceptional thermal stability, and superior ion conductivity, has appeared to meet some challenges of ESC devices. Typically, h‐BN can act as a perfect modifier to enhance the safety of batteries by improving the mechanical strength and heat dissipation of separators, extend cycle life of Li metal batteries by protecting solid state electrolyte from reducing and increase efficiency of fuel cells by improving the proton conductivity of membranes. Besides, recent progress on doping, surface modification, tailoring quantum dots, heterostructures, and hybridizations with other nanomaterials has made it possible to extensively apply h‐BN to other ESC technologies. This review provides a comprehensive overview of the up‐to‐date synthetic strategies for BN‐based materials and discusses the most recent breakthroughs on their application in electrochemical ESC technologies. Also, the challenges and future development for BN‐based materials in these fields are assessed.
Optimal detection protocol of Tetracapsuloides bryosalmonae by environmental DNA: A comparison of qPCR and ddPCR approaches
Authors: Stelzer Moritz , Ord James , Neyrinck Sabrina , Steiner Jonas , Hartikainen Hanna , Brys Rein , Schmidt‐Posthaus Heike 
Published: December 2023

AbstractInvestigation of environmental DNA (eDNA) is increasingly used to precisely and non‐invasively detect and monitor pathogens. Among these, Tetracapsuloides bryosalmonae is a myxozoan endoparasite that causes proliferative kidney disease (PKD) in salmonid fish. Although the detection of T. bryosalmonae DNA in water samples has been shown to be promising and successful, method comparison and cross‐validation are currently lacking. This study aims to directly compare the sensitivity of different eDNA‐based methods in field and laboratory applications, and to develop an easy‐to‐apply and sensitive protocol to monitor T. bryosalmonae occurrence non‐invasively by its eDNA in water samples. First, we tested three existing probe‐based T. bryosalmonae‐specific detection assays in parallel by comparing the limit of detection (LOD) and limit of quantification (LOQ) using quantitative PCR (qPCR) and digital droplet PCR (ddPCR) platforms. Second, the impact of different filter types and water volumes on the detection probability was tested by sampling water directly from riverbanks with a syringe‐based protocol. The most sensitive detection protocol was the combination of the probe‐based assay published by Bettge et al. run via ddPCR, resulting in a LOD of 1.65 copies/μL input (6.6 copies/reaction) and a LOQ of 3.66 copies/μL input (14.67 copies/reaction). The type of filter (Sterivex™ compared to Millex®) did not significantly influence detection probability, however, the volume of water sampled (600 mL compared to 300 mL) significantly affected the probability of capturing eDNA in a sample. Based on modeled probabilities of eDNA capture and detection, we calculated that using the Bettge et al. assay via the ddPCR platform for data collection, 95% overall detection probability could be achieved with three replicates of 600 mL filtered water with Sterivex™ filters. Based on this cross‐validation of assays and detection platforms, we provide a cost‐effective, straightforward, and highly sensitive laboratory analysis workflow to detect DNA of T. bryosalmonae from water samples.
Analysis of engineering properties, milling characteristics, antioxidant potential, and nutritional benefits of purple wheat and its bran
Authors: Saini Praveen , Kumar Nitin , Kumar Sunil , Panghal Anil , Attkan Arun K. 
Published: December 2023

AbstractWith evolving lifestyle preferences, consumer interest has shifted toward diets rich in antioxidants, notably anthocyanins. This study evaluates the engineering, milling, and nutritional properties of three colored wheat types (Amber, Purple P1, and Purple P2) as well as their bran fractions. Moisture levels (12%, 14%, and 16%) were investigated for their effects on engineering and debranning characteristics. The bran and flour samples of the selected wheat samples were examined for their nutritional and antioxidant characteristics. Purple P1 wheat demonstrated the highest protein, fiber, ash, and phytic acid content. Purple P2 had elevated crude fat content, while Amber exhibited increased starch content in both whole wheat flour and pearled bran. Bran consistently contained nearly double the anthocyanin content compared to flour, with Purple P1 wheat exhibiting the highest levels. Purple P1 also displayed superior polyphenol content, total flavonoids, and total antioxidant activity, while Amber samples showed minimum antioxidant activity. Considering the high nutritional and antioxidant qualities of wheat bran, their utilization as functional food seems promising. Also, there is good scope to incorporate wheat bran into different food products (like cookies, bread, noodles, etc.). The application of different modification treatments especially biological modification can further enhance their health‐promoting and functional properties.
Associations of prior concussion severity with brain microstructure using mean apparent propagator magnetic resonance imaging
Authors: Goeckner Bryna D. , Brett Benjamin L. , Mayer Andrew R. , España Lezlie Y. , Banerjee Anjishnu , Muftuler L. Tugan , Meier Timothy B. 
Published: December 2023

AbstractMagnetic resonance imaging (MRI) diffusion studies have shown chronic microstructural tissue abnormalities in athletes with history of concussion, but with inconsistent findings. Concussions with post‐traumatic amnesia (PTA) and/or loss of consciousness (LOC) have been connected to greater physiological injury. The novel mean apparent propagator (MAP) MRI is expected to be more sensitive to such tissue injury than the conventional diffusion tensor imaging. This study examined effects of prior concussion severity on microstructure with MAP‐MRI. Collegiate‐aged athletes (N = 111, 38 females; ≥6 months since most recent concussion, if present) completed semistructured interviews to determine the presence of prior concussion and associated injury characteristics, including PTA and LOC. MAP‐MRI metrics (mean non‐Gaussian diffusion [NG Mean], return‐to‐origin probability [RTOP], and mean square displacement [MSD]) were calculated from multi‐shell diffusion data, then evaluated for associations with concussion severity through group comparisons in a primary model (athletes with/without prior concussion) and two secondary models (athletes with/without prior concussion with PTA and/or LOC, and athletes with/without prior concussion with LOC only). Bayesian multilevel modeling estimated models in regions of interest (ROI) in white matter and subcortical gray matter, separately. In gray matter, the primary model showed decreased NG Mean and RTOP in the bilateral pallidum and decreased NG Mean in the left putamen with prior concussion. In white matter, lower NG Mean with prior concussion was present in all ROI across all models and was further decreased with LOC. However, only prior concussion with LOC was associated with decreased RTOP and increased MSD across ROI. Exploratory analyses conducted separately in male and female athletes indicate associations in the primary model may differ by sex. Results suggest microstructural measures in gray matter are associated with a general history of concussion, while a severity‐dependent association of prior concussion may exist in white matter.
Challenges in Early Verification and Validation of System Requirements
Authors: Bacquet Cyril , Marangé Pascale , Bonjour Éric , Kerbrat Alain 
Published: December 2023

ABSTRACTToday, requirements engineering (RE) is a key process in the development of complex systems‐(ISO/IEC/IEEE 2015). Requirements containing quality issues such as ambiguity or inconsistency can lead to late error detection in systems design, resulting in high project cost overruns. This paper presents challenges for early system requirements verification and validation associated to an executable model‐based requirements engineering (eMBRE) process proposal.
Challenges in Developing a Method to Support the Adoption of a Model‐Based Systems Engineering Methodology
Authors: Kozak Léa , Bonjour Eric , Mayer Frédérique , Micaëlli Jean‐Pierre 
Published: December 2023

ABSTRACTTo improve design performance and achieve sustainability, organisations are looking to change their systems engineering practices. A model‐based systems engineering (MBSE) methodology provides a framework for integrating, associating, orchestrating, and connecting executable and interactive models. It improves early verification and validation of system specifications and architectures, as well as communication and collaboration between project stakeholders. In this sense, MBSE has a truly systemic aspect. The variables to be considered when designing a support strategy are numerous and multidimensional. As a result, this situation can lead to contradictions in the choice of actions to be implemented, or to paradoxes that are likely to slow down the progress of the deployment project with the engineers. Currently, there is no method to support teams in charge of a methodological transformation (for example, in MBSE) to facilitate the adoption of this methodology. This article identifies the main challenges involved in developing such a methodology.
Project Engineering for the Depollution of Industrial Sites: a Model‐Based and Systems‐of‐Systems Approach
Authors: Mayssa Chebbi , Chapurlat Vincent , Wienin Jean‐Samuel , Aprin Laurent , Girones Philippe 
Published: December 2023

ABSTRACTThis work addresses the challenges associated with depolluting brownfields or industrial sites, emphasizing the significant societal, financial, and environmental implications. Current depollution projects are often treated in an ad‐hoc manner, lacking a systematic and industrial perspective, despite the growing number of such projects. The proposed method advocates for a structured approach grounded in systems engineering principles, aiming to enhance collaboration among stakeholders, preserve knowledge, and facilitate the industrial transformation of depollution efforts. The method encompasses elements such as establishing a common vocabulary, employing modeling languages, implementing a double operational approach, providing supportive tools, and managing shared knowledge to improve project design, execution, and collaboration across multiple companies.
Early Validation of Functional Requirements
Authors: Assioua Yasmine , Ameur‐Boulifa Rabea , Pacalet Renaud , Guitton‐Ouhamou Patricia 
Published: December 2023

ABSTRACTTechnical specifications and intended functionalities are often gathered in documents that include requirements written in constrained natural language, that is, natural‐like language with restricted syntax. In the automotive industry one challenge is the ability to produce safe vehicles, emphasizing the importance of safety by design. In the framework of case studies based on functions of autonomous vehicles, we introduce a systematic process for building formal models from automotive requirements written in constrained natural language, and for verifying them. By allowing formal verification at the earliest stages of the development cycle our aim is to avoid the costly discovery of errors at later stages.
Interoperability Forum for Requirements Exchange
Authors: Koumlah Mbey Christian , Darré Frédéric , El Amrani El‐Mehdi , Lévy Albert , Hubert Pascal 
Published: December 2023

ABSTRACTThis article illustrates requirement exchanges based on the STEP AP242 application protocol. These results are the outcomes of the systems engineering interoperability forum (SE‐IF) of the ATLAS program, a working group sponsored by the French industry and the French government. The SE‐IF is composed of manufacturers, who define use cases and assign priorities and solution providers, who implement the standard, carry out interoperability tests and establish recommended practices. The objective of this forum is to enable exchange of requirements and their attributes in a fluid and tool‐agnostic way, to facilitate collaborative work in the context of the extended enterprise. This work gives promising perspectives for standardized transfers of all other systems engineering data.
Model‐Based Systems Engineering Approach for an Indoor Multi‐Usages System Development
Authors: Razafimahazo Eric , de Saqui‐Sannes Pierre , Vingerhoeds Rob , Soula Julien , Mège Romain 
Published: December 2023

ABSTRACTThis paper discusses the design of multi‐usage systems able to perform various missions inside buildings, including inspection, digitization, monitoring of construction work, and evaluation of technical performances of the building. Designing such systems, carrying out various missions in different operational environments, is a complex task and requires adopting a well‐defined engineering approach. A model‐based systems engineering (MBSE) approach is proposed and applied to address the complexity of the indoor multi‐usages system and to lead its development. The proposed method provides several complementary and comprehensive views of the system.
Enhancement of energy decomposition analysis in fragment molecular orbital calculations
Authors: Matsuoka Sota , Sakakura Kota , Akinaga Yoshinobu , Akisawa Kazuki , Okuwaki Koji , Doi Hideo , Mochizuki Yuji 
Published: December 2023

AbstractEnergy decomposition analysis is one of the most attractive features of fragment molecular orbital (FMO) calculations from the point of view of practical applications. Here we report some enhancements for PIEDA in the ABINIT‐MP program. One is a separation of the dispersion‐type stabilization from the electron correlation energy, traditionally referred to as the “dispersion interaction” (DI). Another is an alternative evaluation of the electrostatic (ES) interaction using the restrained electrostatic potential (RESP) charges. The GA:CT stacked base pair and the Trp‐Cage miniprotein were used as illustrative examples.
Noninvasive scores are poorly predictive of histological fibrosis in paediatric fatty liver disease
Authors: Kalveram Laura , Baumann Ulrich , De Bruyne Ruth , Draijer Laura , Janczyk Wojciech , Kelly Deirdre , Koot Bart G. , Lacaille Florence , Lefere Sander , Lev Hadar Moran , Lubrecht Judith , Mann Jake P. , Mosca Antonella , Rajwal Sanjay , Socha Piotr , Vreugdenhil Anita , Alisi Anna , Hudert Christian A. ,   ESPGHAN Fatty Liver Special Interest Group
Published: December 2023

AbstractObjectivesNonalcoholic fatty liver disease (NAFLD) is the most common chronic liver disease in children. Roughly a quarter of paediatric patients with NAFLD develop nonalcoholic steatohepatitis and fibrosis. Here, we evaluated the diagnostic accuracy of previously published noninvasive fibrosis scores to predict liver fibrosis in a large European cohort of paediatric patients with NAFLD.MethodsThe 457 patients with biopsy‐proven NAFLD from 10 specialized centers were included. We assessed diagnostic accuracy for the prediction of any (F ≥ 1), moderate (F ≥ 2) or advanced (F ≥ 3) fibrosis for the AST/platelet ratio (APRI), Fibrosis 4 score (FIB‐4), paediatric NAFLD fibrosis score (PNFS) and paediatric NAFLD fibrosis index (PNFI).ResultsPatients covered the full spectrum of fibrosis (F0: n = 103; F1: n = 230; F2: n = 78; F3: n = 44; F4: n = 2). None of the scores were able to accurately distinguish the presence of any fibrosis from no fibrosis. For the detection of moderate fibrosis, area under the receiver operating characteristic curve (AUROC) were: APRI: 0.697, FIB‐4: 0.663, PNFI: 0.515, PNFS: 0.665, while for detection of advanced fibrosis AUROCs were: APRI: 0.759, FIB‐4: 0.611, PNFI: 0.521, PNFS: 0.712. Fibrosis scores showed no diagnostic benefit over using ALT ≤ 50/ > 50 IU/L as a cut‐off.ConclusionsEstablished fibrosis scores lack diagnostic accuracy to replace liver biopsy for staging of fibrosis, giving similar results as compared to using ALT alone. New diagnostic tools are needed for Noninvasive risk‐stratification in paediatric NAFLD.
CARS.jl: Efficient fitting of dual‐pump multi‐species CARS spectra using compressed libraries
Authors: Greifenstein M. , Dreizler A. 
Published: December 2023

AbstractIn this publication, we demonstrate the extension of our loss‐less library approach previously limited to fitting ro‐vibrational N2 CARS spectra for thermometry purposes to accurate and efficient fitting of dual‐pump CARS spectra with multiple species. The fundamental reasoning behind the compression approach is to make use of finite resolution effects arising from the laser linewidths, which are typically larger than the transitional linewidths. For accurate reconstruction at runtime of the fit, in addition to the squared modulus and real component, also the imaginary component as well as intra‐region species cross terms have to be compressed and tabulated for dual‐pump multi‐species spectra. The resulting libraries do not require to tabulate combinations of mole fractions, leading to a near linear growth of the library with respect to the number of species. The accuracy and computational efficiency of the method is benchmarked using a reference implementation provided alongside this publication. Library generation times, mainly depending on the underlying spectral model, are typically in the order of seconds to a few minutes. The simulation of a single dual‐pump spectrum containing three species is sped up by a factor of >5000 without significantly affecting the accuracy of reconstruction. In a simulated experiment with Stokes‐noise imposed data, the time required to it temperature, mole fraction of three resonant species and wavenumber shift on a single spectrum required
90 ms.
Meta‐analysis and partial correlation coefficients: A matter of weights
Authors: Hong Sanghyun , Reed W. Robert 
Published: December 2023

AbstractThis study builds on the simulation framework of a recent paper by Stanley and Doucouliagos (Research Synthesis Methods 2023;14;515–519). S&D use simulations to make the argument that meta‐analyses using partial correlation coefficients (PCCs) should employ a “suboptimal” estimator of the PCC standard error when constructing weights for fixed effect and random effects estimation. We address concerns that their simulations and subsequent recommendation may give meta‐analysts a misleading impression. While the estimator they promote dominates the “correct” formula in their Monte Carlo framework, there are other estimators that perform even better. We conclude that more research is needed before best practice recommendations can be made for meta‐analyses with PCCs.
Impact of pretreatment with dielectric barrier discharge plasma on the drying characteristics and bioactive compounds of jackfruit slices
Authors: Seelarat Weerasak , Sangwanna Sujarinee , Chaiwon Tawan , Panklai Teerapap , Chaosuan Natthaphon , Bootchanont Atipong , Wattanawikkam Chakkaphan , Porjai Porramain , Khuangsatung Wongvisarut , Boonyawan Dheerawan 
Published: December 2023

AbstractBACKGROUNDHot‐air drying is a popular method for preserving the production of jackfruit, but heat treatment damages its nutritional qualities. Cold plasma is one of the pretreatment methods used to preserve quality attributes of fruits before drying. In the present work, we studied the effect of dielectric barrier discharge (DBD) plasma on the drying characteristics, microstructure, and bioactive compounds of jackfruit slices with different pretreatment times (15, 30, 45, and 60 s), followed by hot‐air drying at 50, 60, and 70 °C. A homemade DBD device was operated via three neon transformers.RESULTSOptical emission spectrophotometry revealed the emitted spectra of the reactive species in DBD plasma, including the N2 second positive system, N2 first negative system, nitrogen ion, and hydroxyl radical. The results showed that the DBD plasma promoted moisture transfer and enhanced the drying rate, related to the changes in the surface microstructure of samples damaged by DBD plasma. The modified Overhults model was recommended for describing the drying characteristics of jackfruit slices. The contents of ascorbic acid, total phenolics, total flavonoids, total polysaccharides, and antioxidant activity in pretreated jackfruit slices were improved by 9.64%, 42.59%, 25.77%, 27.00%, and 23.13%, respectively. However, the levels of color and carotenoids were reduced.CONCLUSIONThus, the bioactive compounds in dried jackfruit slices can be improved using the DBD plasma technique as a potential pretreatment method for the drying process. © 2023 Society of Chemical Industry.