bluuebunny/crossref_metadata_2025_split huggingface dataset:
Quantitative Prediction of Polymer Dielectric Constants Using an Improved Mathematic Correlation Based on Molecular Polarity Components
Authors: Zhou Gang , Ning Na , Wei Yi 
Published: November 2024

ABSTRACTThe advancement of communication technology has significantly promoted the development of dielectric polymers. However, the quantitative prediction of dielectric constant for rapid material screening is hard due to the low precision of existing theories. In this paper, a new model was developed to calculate the dielectric constants of organic materials through theoretical deduction correlating to the dielectric and polar Hansen solubility parameter (HSP) functions (). This model treated the permanent dipole moments as the primary function determining the dielectric constant and the corresponding polar HSP, which was demonstrated to be in good agreement with experimental data and produced reasonable fitting for organic solvents, thermoplastic polymers, and thermoset polymers, yielding R
2 of 0.7488, 0.8104, and 0.7450, respectively, and it demonstrated better fitting with R
2 of 0.9043 when applied to organic solvents having low hydrogen bonding component (, < 12.5). This new correlation produces the highest accuracy of prediction when compared to the existing models and provides a better mathematical tool to help design and screen dielectric polymers.
LARGE primary spontaneous pneumothorax (2023 French Guidelines definition): Do radiographic size matter in pediatric patients? A comparative analysis
Authors: Zarfati Angelo , Rollo Giovanni , Frediani Simone , Pardi Valerio , Aloi Ivan Pietro , Bertocchini Arianna , Accinni Antonella , Inserra Alessandro 
Published: November 2024

AbstractPurposeOur aim was to explore the applicability of the definition of “large” primary spontaneous pneumothorax (PSP) of adult guidelines to pediatric patients.MethodsWe performed a retrospective monocentric analysis of first‐episodes of PSP (Period: January 2010–January 2023). We defined large PSP according to French SPLF/SMFU/SRLF/SFAR/SFCTCV Guidelines. Inclusion criteria: age 1−18 years‐old, follow‐up ≥ 1 year. We performed a comparative analysis between large and nonlarge PSP. We reported the categorical variables as frequencies, and continuous as median and range. We compared categorical variables using Chi‐Square or Fisher test, and continuous using U Mann–Whitney test. p < 0.05 was considered significant.ResultsThe population consisted of 49 patients, 15 (30%) with large PSP. We found no significant differences at presentation between large and nonlarge PSP regarding age, sex, side, BMI, oxygen saturation, respiratory rate and hearth rate. Conservative first‐line management was used significantly less for large PSP (26% vs. 82%, p = 0.0003), while drain more (46% vs. 8%, p = 0.005). The groups were similar regarding surgery. Large PSP had a significantly longer hospitalization (7 days vs. 4 days, p = 0.003). The incidence of first‐line management failure was similar between the groups. During the follow‐up, we found no significant differences regarding ipsilateral recurrence (33% vs. 17%, p = 0.275), and contralateral occurrence (0% vs. 5%, p = 1.000), need for drain (6% vs. 5%, p = 1.000), or surgery (33% vs. 14%, p = 0.246).ConclusionsIn the first‐line, large PSP were treated significantly less conservatively and more drained. Radiographic size of the pneumothorax does not seem to have an impact on first‐line treatment failure and follow‐up outcomes.
Eminence‐Based Versus Evidence‐Based Imaging of Lung Infection (Pneumonia) in Children – Diagnostic Accuracy of Lung Ultrasound
Authors: Venkatakrishna Shyam Sunder B. , Sultan Laith R. , McShea Kristina , Lege‐Matsuura Jennifer , Zouvani Antrea , Ramirez Suarez Karen I. , Onyango Levy C. , Goussard Pierre , Otero Hansel J. , Andronikou Savvas 
Published: November 2024

ABSTRACTPurposeLung ultrasound (LUS) has been widely used for detecting pneumonia in children. Although LUS offers multiple advantages, its diagnostic accuracy compared to an imaging gold standard, e.g., computed tomography (CT) is in question. We evaluated the existing literature comparing the use of LUS for diagnosing pneumonia in children to CT.MethodsPubMed, EMBASE and Scopus databases were searched for relevant studies published from inception to June 13, 2024, using controlled vocabulary (MESH, EMTREE) with keywords.ResultsThe initial search identified 1065 articles. After the removal of duplicates (n = 350), the abstracts and titles of 715 studies were screened. 34 relevant studies were reviewed in detail for eligibility and shortlisted to 19 studies. Only 5 usable studies were identified. Of the five studies, three were published in journals that are not indexed in MEDLINE. The study with largest sample size (949 children) reported a sensitivity of LUS of 0.906 with 0.661 accuracy in comparison to chest CT.ConclusionThere was very limited and relatively low‐quality current evidence regarding the accuracy of LUS in comparison to CT for diagnosing pneumonia in children.
Consequences of Indoor Pollution in Children in Latin America
Authors: Loría‐Chavarría Gloriana , Soto‐Martínez Manuel Enrique 
Published: November 2024

ABSTRACTIntroductionIndoor air pollution represents a major health problem in developing countries. Common sources of contaminants include biomass fuels, dust mites, mold, and insecticides, which are frequently found in Latin American households due to cultural, geographical, and socioeconomic conditions. Additionally, tobacco consumption and e‐cigarette use are both frequent in the region and represent another source of air pollution. Furthermore, agriculture plays an important role in Latin American and Caribbean economies, leading to hazardous environmental exposures for people living in rural areas. Children are more vulnerable than adults to the effects of environmental exposures because of various physiological and behavioral factors. The timing of exposure is also relevant, as the developing lungs are more susceptible during certain periods of growth, and early insults may impact future development. Exposure to indoor pollution, both prenatal and after birth, has been associated with an increased risk of health issues in children, such as growth impairment, respiratory infections, asthma, reduced lung function, and development of adult lung diseases (e.g., cancer and COPD).AimTo understand how childhood environmental exposures affect lung development, with potential long‐term consequences and increased risk of diseases later in life, is essential for developing effective prevention strategies.
Unraveling the venom constituents of the endoparasitoid Aphidius gifuensis with an emphasis on the discovery of a novel insecticidal peptide
Authors: Wang Kui , Wu Guocui , Ma Qian , Yang Lin , Wu Chaoyan , Zhu Jiaying 
Published: November 2024

AbstractBACKGROUNDVenom serves as a pivotal parasitic factor employed by parasitoid wasps to manipulate their hosts, creating a favorable environment for the successful growth of their progeny, and ultimately kill the host. The bioactive molecules within parasitoid venoms exhibit insecticidal activities with promising prospects for agricultural applications. However, knowledge regarding the venom components of parasitoids and the discovery of functional biomolecules from them remains limited.RESULTSIn this study, 30 venom proteins were identified from the endoparasitoid Aphidius gifuensis through the application of a transcriptomic approach. These proteins were categorized into five groups: hydrolase, molecular chaperone, transferase, other functional protein, and hypothetical protein with unknown function. Particularly noteworthy is the abundant expression of the peptide Vn1 in the venom apparatus of A. gifuensis, indicating its pivotal role in venom activity. Consequently, Vn1 was chosen for further functional analysis, exhibiting insecticidal activity against Tenebrio molitor pupae. Further assessment for revealing its mode of action disclosed that Vn1 impacts genes related to immune response, environmental information processing, metabolism, and response to external stimuli in T. molitor, suggesting its involvement in the intricate parasitoid wasp–host interaction.CONCLUSIONThe findings of this study significantly contribute to our knowledge of the composition and functionality of A. gifuensis venom, establishing a foundation for further investigation into the biological roles of the identified venom constituents. The insecticidal Vn1 isolated from the venom of this parasitoid represents a valuable resource for the development of innovative biocontrol agents with potential applications in agriculture. © 2024 Society of Chemical Industry.
MDMA pharmacokinetics: A population and physiologically based pharmacokinetics model‐informed analysis
Authors: Huestis Marilyn A. , Smith William B. , Leonowens Cathrine , Blanchard Rebecca , Viaccoz Aurélien , Spargo Erin , Miner Nicholas B. , Yazar‐Klosinski Berra 
Published: November 2024

AbstractMidomafetamine (3,4‐methylenedioxymethamphetamine [MDMA]) is under the U.S. Food and Drug Administration review for treatment of post‐traumatic stress disorder in adults. MDMA is metabolized by CYP2D6 and is a strong inhibitor of CYP2D6, as well as a weak inhibitor of renal transporters MATE1, OCT1, and OCT2. A pharmacokinetic phase I study was conducted to evaluate the effects of food on MDMA pharmacokinetics. The results of this study, previously published pharmacokinetic data, and in vitro data were combined to develop and verify MDMA population pharmacokinetic and physiologically based pharmacokinetic models. The food effect study demonstrated that a high‐fat/high‐calorie meal did not alter MDMA plasma concentrations, but delayed Tmax. The population pharmacokinetic model did not identify any clinically meaningful covariates, including age, weight, sex, race, and fed status. The physiologically based pharmacokinetic model simulated pharmacokinetics for the proposed 120 and 180 mg MDMA HCl clinical doses under single‐ and split‐dose (2 h apart) conditions, indicating minor differences in overall exposure, but lower AUC within the first 4 h and delayed Tmax when administered as a split dose compared to a single dose. The physiologically based pharmacokinetic model also investigated the drug–drug interaction magnitude by varying the fraction metabolized by a representative CYP2D6 substrate (atomoxetine) and evaluated inhibition of renal transporters. The simulations confirm MDMA is a potent CYP2D6 inhibitor, but likely has no meaningful impact on the pharmacokinetics of drugs sensitive to renal transport. This model‐informed drug development approach was employed to inform drug–drug interaction potential and predict pharmacokinetics of clinically relevant dosing regimens of MDMA.
Malnutrition Risk Among Hospitalized Patients With Type 2 Diabetes Mellitus and Its Association With Hospital Length
Authors: Kwizera Philemon , Niyomwungeri Reverien , Gatera Omar , Adu‐Amoah Harriet Gyamfuah , Ahishakiye Jeannine 
Published: November 2024

ABSTRACTBackgroundEstimating malnutrition risk among hospitalized patients is challenging, yet critical due to its association with adverse outcomes such as prolonged hospital stays, increased mortality, impaired wound healing, depression, and increased hospital costs. This research study aims to evaluate the risk of malnutrition among Type 2 diabetic hospitalized patients and its impact on the patient's length of stay in two tertiary hospitals based in Kigali.MethodIn this retrospective cross‐sectional study, 300 adult hospitalized Type 2 diabetic patients from Kigali's tertiary hospitals were enrolled between January 2021 and October 2022. Data collected include demographics, anthropometrics, serum albumin, and length of hospital stay. The nutrition risk index was used to determine malnutrition risk.ResultsOverall, 55.3% of hospitalized Type 2 diabetes patients was found to be at risk of malnutrition on the basis of the nutrition risk index. Gender distribution showed no significant difference (p = 0.724), with 56.6% females and 54.5% males at risk. Significant associations were found with age (r = 0.018, p = 0.017), hypertension as comorbidity (r = ‐0.169, p = 0.004), hospital stay duration (r = 0.139, p = 0.002), and blood glucose levels (r = −0.087, p = 0.001).ConclusionA study finds high malnutrition risk in hospitalized Type 2 diabetes patients, linked to longer stays and poor outcomes. Early malnutrition screening, proper nutrition support, and a multidisciplinary care team are crucial for improved clinical care and cost‐effectiveness.
Moist convective scaling: Insights from an idealised model
Authors: Agasthya Lokahith , Muller Caroline , Cheve Mathis 
Published: November 2024

AbstractThe response of clouds and moist‐convective processes to heat loss to space by long‐wave radiative cooling is an important feedback in the Earth's atmosphere. It is known that moist convection increases roughly in equilibrium with radiative cooling, an assumption often made in simplified models of the tropical atmosphere. In this study, we use an idealised two‐dimensional model of the atmosphere introduced by Vallis et. al. and incorporate a bulk‐cooling term, which is an idealisation of radiative cooling in the atmosphere. We comment briefly on the static stability of the system to dry and moist convection and characteris its moist convective response to changes in the bulk cooling. We find that, while the clear‐sky regions of the model respond directly to the change in the cooling term, the regions dominated by moist convective plumes are insensitive to changes in cooling. Similar to previous findings from cloud‐resolving models, we too find in our idealised setting that the majority of the increase in convection occurs via an increase in the areal coverage of convection, rather than its intensity. We argue that these small‐scale convective processes are an upper bound on how quickly convective intensity can change to stay in equilibrium with radiative cooling.
Summertime secondary convection and interaction with sea‐breeze circulations
Authors: Fonseca Ricardo , Francis Diana , Nelli Narendra , Yarragunta Yesobu , Paparella Francesco , Pauluis Olivier M. 
Published: November 2024

AbstractSummertime convection in the arid United Arab Emirates (UAE) is mostly confined to the eastern and northeastern sides of the country, known as primary convection. Convection can also occur in the drier central and western parts of the country; this is called secondary convection. However, the mechanisms behind the latter are still not fully understood, even though it represents a crucial water source in the hotter months. To this end, a series of real‐case and semi‐idealized numerical simulations are performed to explore the role of sea breezes emanating from the nearby water bodies in triggering convection. We found the primary convection is mostly driven by convergence of the sea breezes from the Sea of Oman and Arabian Gulf with the topography‐driven circulations at the Al Hajar mountains. When the Arabian Gulf sea breeze is removed, which is achieved by replacing the water body with flat desert land, the convection is weaker. Secondary convection is triggered by the convergence of the sea breeze from the Arabian Gulf with the circulation associated with the Arabian heat low (AHL). In the absence of the Arabian Gulf sea breeze, it develops in response to low‐level convergence within the southerly monsoon flow reinforced by the AHL's circulation. It is fed by moisture from the Arabian Sea advected by the southerly flow into the UAE enhanced by surface evaporation. The sea breeze from the Sea of Oman plays a minor role in the secondary convection. Sensitivity experiments confirmed these findings. The results presented here stress that any variation in the characteristics of the sea breezes, such as through changes in surface properties (e.g., land‐use land cover), will impact the nature and intensity of the primary and secondary convection in the UAE. However, summertime convection will continue to occur, owing to favourable dynamic and thermodynamic conditions at regional scale.
Sensing Applications of PT‐Symmetry in Non‐Hermitian Photonic Systems
Authors: Wang Zuoxian , Liang Zihua , Hu Jinsheng , Zhou Peng , Liu Lu , Hu Gen , Wang Weiyi , Ye Mao 
Published: November 2024

AbstractIn recent years, rapid advances in non‐Hermitian physics and PT‐symmetry have brought new opportunities for ultra‐sensitive sensing. Especially the presence of controllable non‐conservative processes in optical and photonic systems has triggered the development of singularity‐based sensing. By flexibly tuning gain, loss, and coupling strength, a series of high‐resolution sensing approaches can be realized, with the potential of on‐chip integration. Another important non‐Hermitian singularity is the coherent perfect absorption‐lasing (CPAL) point in the PT‐broken phase, which manifests the coexistence of lasing and CPA, exhibiting intriguing properties with considerable sensing potential. As a crucial method for quantum sensing and metrology, the interaction between light and alkali‐metal atomic ensembles promises unprecedented sensitivity in the measurement of ultra‐weak magnetic field, inertia, and time. Therefore, extending the study of PT‐symmetry and singularity‐based sensing from conventional solid‐state wave systems to diffusive systems such as atomic ensembles is attracting wide attention. In this review, the development of singularity‐based sensing in PT/anti‐PT symmetric non‐Hermitian systems is summarized, with a special focus on photonic platforms including integration with waveguides, microcavities, metasurface, etc. In addition, sensing applications with discussion further extended to atomic ensembles, projecting future research trends in the field.
Same, but different: Variations in fragment ions among stereoisomers of a 17α‐methyl steroid in gas chromatography/electron ionization mass spectrometry
Authors: Steff Jakob , Parr Maria K. 
Published: November 2024

RationaleGas chromatography/electron ionization mass spectrometry (GC/EI‐MS) is a well‐established tool for the identification of unknown compounds such as new metabolites of xenobiotics. But it reaches the limits of confident structural assignment if it comes to stereoisomers. This work helps to overcome this difficulty by getting a deeper comprehension of composition of so far unspecific and also characteristic fragment ions in general and comparison among stereoisomers.MethodsUnit mass resolution mass spectra of various isotopologues of four 17α‐methyl steroid diastereomers obtained by selectively introducing [2H9]‐trimethylsilyl (TMS) groups or chemical syntheses were systematically compared. The impact of stereochemistry on variations of relative abundances has been assessed by statistical comparison from repeated measurements. Additionally, characterization of m/z 318 with high‐resolution MS using gas chromatography/quadrupole time‐of‐flight MS (GC/QTOF‐MS) was performed.ResultsThe formation of fragment ions from TMS‐derivatives after cleavage of methyl or TMS groups ([M‐CH3]+, [M‐TMSOH]•+, [M‐CH3‐TMSOH]+, [M‐2x90]•+, [M‐2x90‐CH3]+) rarely arises from only one position in the molecule and composition of fragment ion signals is highly influenced by the stereochemistry of the A‐ring at C3 and C5 of the steroid. Similarly, the formation of the characteristic fragment ion m/z 143 most likely consists of two different ways of formation. A possible structure for fragment ion m/z 318 was postulated.ConclusionsStereoisomers showed differing fragmentation behaviors based on their configuration. These observations further illustrate that variations among stereoisomers in EI‐MS fragmentation is no random underlying process but instead a pattern which needs to be understood in its complexity. This easily accessible technical approach can be applied on different molecule structures to further investigate the field of isomeric assignment in GC/EI‐MS.
Anionic Reactions Degrading SF6 Using Metals: Insights From the Gas Phase
Authors: Joshi Shiven , Barden Sharon , Mayer Paul M. 
Published: November 2024

ABSTRACTAlkali metals have been used to degrade SF6 in liquid ammonia. The products include metal fluorides. In this study, we reacted K− and Ag− with SF6 in a triple quadrupole mass spectrometer. The atomic metal anions were formed by in‐source collision‐induced dissociation (CID) of their respective oxalate salts as previously described by our group. The only two reaction products observed were SF6− and SF5−. At low collision energy, the latter was deduced to be formed via an abstraction by the metal of F from SF6− formed by electron transfer in the encounter complex between the metal anion and neutral SF6. As the collision energy was increased, there was evidence of a CID contribution to SF5− directly from SF6−.
Tandem Mass Spectrometry of Perfluorocarboxylate Anions: Fragmentation Induced by Reactive Species Formed From Microwave Excited Hydrogen and Water Plasmas
Authors: Li Jack G. , Bowen Chris J. , Chan Bun , Takahashi Hidenori , O'Hair Richard A. J. 
Published: November 2024

ABSTRACTRationalePolyfluoroalkyl substances (PFAS) like perfluorooctanoic acid have persistent environmental and physiological effects. This study investigates the degradation of CnF2n+1CO2− (n = 1–7) with neutral radical fragmentation under oxygen attachment dissociation (OAD). Unique fragments absent from collision‐induced dissociation (CID) are observed. Further, potential mechanisms are uncovered by density functional theory (DFT) calculations.MethodsFrom a standard mixture of PFAS, straight‐chain perfluorinated carboxylic acids with carbon chain lengths of one to eight were separated via liquid chromatography and transferred to the gas phase via negative‐mode electrospray ionisation. Each CnF2n+1CO2− of interest was mass selected and fragmented via both CID and OAD in a quadrupole time‐of‐flight mass spectrometer. DFT optimisations of structures were performed at M06/6‐31+g(d), and single point energy calculations were performed at M06‐2X/aug‐cc‐pVTZ for C3F7CO2−.ResultsDecarboxylation was observed from both CID and OAD, but fluorine abstraction and hydroxyl addition only occurred with OAD. The DFT calculations suggest that C3F6–• (m/z 150) is most likely formed from by H• attack onto a β‐ C‐F bond, then loss of HF, finally decarboxylation. Further, C3F5O− (m/z 147) likely arises from C3F6–• recombining with OH• to produce energised C3F6OH− ions, followed by α‐ or β‐ elimination of HF to give enolate and/or epoxide‐type products.ConclusionsOAD of C3F7CO2− yields unique product ions C3F6–• (m/z 150) and C3F5O− (m/z 147) absent from collision‐induced dissociation. DFT calculations suggest an intricate pathway of H• attack onto a β C‐F bond, then loss of HF, decarboxylation, recombination with OH•, and finally α‐ or β‐ elimination of HF to give the products.
A V‐Shaped In‐Pipe Robot to Travel Through Complex Winding Pathways in Three Dimensions
Authors: Kakogawa Atsushi , Sekiya Kanade , Nakazawa Ryota , Ikuno Yasuyuki 
Published: November 2024

ABSTRACTThis paper presents a V‐shaped gas pipeline inspection robot which achieves high roll rotation performance, out‐of‐plane double elbow travel performance, and inverted siphon adaptability at high speed without requiring complicated manual operation. The principle for traveling through the out‐of‐plane double elbow was theoretically demonstrated and proven experimentally. The pitch angle of the robot's spiral motion, which is derived from the relationship between the roll angle of the spherical wheel and the angle of the V‐shaped joint, was also both theoretically and experimentally verified. Finally, field tests were conducted not only indoors but also outdoors on 8‐in steel pipes, and the robot successfully adapted to the out‐of‐plane double elbows, inverted siphons, and even buried pipes that were more than 20 years old. The robot even traveled up to 40 m without any problems, and returned safely after inspection and exploration.