bluuebunny/crossref_metadata_2025 huggingface dataset:
The Role of the Toroidal Vortex in Cumulus Clouds' Entrainment and Mixing
Authors: Eytan Eshkol , Arieli Yael , Khain Alexander , Altaratz Orit , Pinsky Mark , Gavze Ehud , Koren Ilan
Published: July 2024

Shallow convective clouds play a crucial role in Earth's energy budget, as they modulate the radiative transfer in the atmosphere and participate in the vertical transport of aerosols, energy, and humidity. The parameterizations representing these complex, vital players in weather and climate models are mostly based on a description of steady‐state plumes and are a source of major uncertainty. Recently, several studies have shown that buoyant thermals are inherent in atmospheric convection and contain a toroidal (ring) vortex. This work studies those vortices in growing shallow cumulus (Cu) clouds using high‐resolution (10 m) Large Eddy Simulations that resolve these vortices in much detail. Recent analysis of such data showed that small‐scale turbulent diffusion is unable to explain the large diluted portion of the cloud. Here we advocate for the important role of the Cu toroidal vortex (TV) in cloud dilution and present the complex dynamics and structure of a Cu TV. Nevertheless, since the vortex dominates the cloud's dilution, simplicity emerges when considering the cloud's lateral mass flux profile. The cloud mixing is quantified using direct flux calculations and Eulerian tracers. In addition, Lagrangian tracers are used to identify the origin of the entrained air and its thermodynamic properties. It shows that most of the air entrained by the vortex is not recycled by the vortex, yet is significantly more humid than the environment. We suggest that the development of new models describing thermals, together with their toroidal vortices, might improve cloud parameterizations in weather and climate models.
Next Generation Public Supply Water Withdrawal Estimation for the Conterminous United States Using Machine Learning and Operational Frameworks
Authors: Alzraiee Ayman , Niswonger Richard , Luukkonen Carol , Larsen Josh , Martin Donald , Herbert Deidre , Buchwald Cheryl , Dieter Cheryl , Miller Lisa , Stewart Jana , Houston Natalie , Paulinski Scott , Valseth Kristen
Published: July 2024

Estimation of human water withdrawals is more important now than ever due to uncertain water supplies, population growth, and climate change. Fourteen percent of the total water withdrawal in the United States is used for public supply, typically including deliveries to domestic, commercial, and occasionally including industrial, irrigation, and thermoelectric water withdrawal. Stewards of water resources in the USA require estimates of water withdrawals to manage and plan for future demands and sustainable water supplies. This study compiled the most comprehensive conterminous United States water withdrawal data set to date and developed a machine learning framework for estimating public supply withdrawals and associated uncertainty for the period 2000–2020. The modeling approach provides service area resolution estimates to allow for annual and monthly water withdrawal estimation while incorporating a complex array of driving factors that include hydroclimatic, demographic, socioeconomic, geographic, and land use factors. Model results reveal highly variable and lognormally distributed per‐capita water withdrawal, spanning from 30 to 650 gallons per capita per day (GPCD), across community, regional, and national scales, with pronounced seasonal variations. Analysis of estimated withdrawal trends indicates that the national annual average withdrawal experienced a decline at a rate of 0.58 GPCD/year during the period from 2000 to 2020. Model interpretation reveals a complex interplay between public supply withdrawal and key predictors, including population size, warm‐season precipitation, counts of large buildings and houses, and areas of urban and commercial land use. The developed models can forecast future public supply driven by various climate, demographic, and socioeconomic scenarios.
Elevated serum kynurenic acid in individuals with first-episode psychosis and insufficient response to antipsychotics
Authors: Hatzimanolis Alex , Foteli Stefania , Xenaki Lida-Alkisti , Selakovic Mirjana , Dimitrakopoulos Stefanos , Vlachos Ilias , Kosteletos Ioannis , Soldatos Rigas-Filippos , Gazouli Maria , Chatzipanagiotou Stylianos , Stefanis Nikos
Published: July 2024

The tryptophan-metabolizing kynurenine pathway (KP) can be activated by enhanced inflammatory responses and has been implicated in the pathophysiology of schizophrenia. However, there is little evidence for KP dysregulation in the early course of psychotic illness. We aimed to investigate the potential immune-mediated hyperactivity of KP in individuals with first-episode psychosis (FEP) and the relationship with symptom severity and treatment response outcomes. Serum immunoassays were performed to measure peripheral levels of inflammatory cytokines (IL-1β, IL-10, TNF-a), KP rate-limiting enzymes (IDO/TDO), and kynurenic acid (KYNA) metabolite in 104 antipsychotic-naïve patients with FEP and 80 healthy controls (HC). The Positive and Negative Syndrome Scale (PANSS) and the Global Assessment of Functioning Scale (GAF) were administered to assess psychopathology and functioning status at admission and following 4-week treatment with antipsychotics. Cytokine and KP components levels were substantially increased in FEP patients compared to HC, before and after antipsychotic treatment. A significant positive correlation between pro-inflammatory IL-1β and KYNA levels was observed among FEP patients, but not in HC. Importantly, within-patient analysis revealed that those with higher baseline KYNA experienced more severe negative symptoms and poorer clinical improvement at follow-up. These findings suggest that KP is upregulated in early psychosis, likely through the induction of IL-1β-dependent pathways, and raised peripheral KYNA might represent a promising indicator of non-response to antipsychotic medication in patients with FEP.
A benchmark JWST near-infrared spectrum for the exoplanet WASP-39 b
Authors: Carter A. L. , May E. M. , Espinoza N. , Welbanks L. , Ahrer E. , Alderson L. , Brahm R. , Feinstein A. D. , Grant D. , Line M. , Morello G. , O’Steen R. , Radica M. , Rustamkulov Z. , Stevenson K. B. , Turner J. D. , Alam M. K. , Anderson D. R. , Batalha N. M. , Battley M. P. , Bayliss D. , Bean J. L. , Benneke B. , Berta-Thompson Z. K. , Brande J. , Bryant E. M. , Burleigh M. R. , Coulombe L. , Crossfield I. J. M. , Damiano M. , Désert J.-M. , Flagg L. , Gill S. , Inglis J. , Kirk J. , Knutson H. , Kreidberg L. , López Morales M. , Mansfield M. , Moran S. E. , Murray C. A. , Nixon M. C. , Petit dit de la Roche D. J. M. , Rackham B. V. , Schlawin E. , Sing D. K. , Wakeford H. R. , Wallack N. L. , Wheatley P. J. , Zieba S. , Aggarwal K. , Barstow J. K. , Bell T. J. , Blecic J. , Caceres C. , Crouzet N. , Cubillos P. E. , Daylan T. , de Val-Borro M. , Decin L. , Fortney J. J. , Gibson N. P. , Heng K. , Hu R. , Kempton E. M.-R. , Lagage P. , Lothringer J. D. , Lustig-Yaeger J. , Mancini L. , Mayne N. J. , Mayorga L. C. , Molaverdikhani K. , Nasedkin E. , Ohno K. , Parmentier V. , Powell D. , Redfield S. , Roy P. , Taylor J. , Zhang X.
Published: July 2024

Observing exoplanets through transmission spectroscopy supplies detailed information about their atmospheric composition, physics and chemistry. Before the James Webb Space Telescope (JWST), these observations were limited to a narrow wavelength range across the near-ultraviolet to near-infrared, alongside broadband photometry at longer wavelengths. To understand more complex properties of exoplanet atmospheres, improved wavelength coverage and resolution are necessary to robustly quantify the influence of a broader range of absorbing molecular species. Here we present a combined analysis of JWST transmission spectroscopy across four different instrumental modes spanning 0.5–5.2 μm using Early Release Science observations of the Saturn-mass exoplanet WASP-39 b. Our uniform analysis constrains the orbital and stellar parameters within subpercentage precision, including matching the precision obtained by the most precise asteroseismology measurements of stellar density to date, and it further confirms the presence of Na, K, H2O, CO, CO2 and SO2 as atmospheric absorbers. Through this process, we have improved the agreement between the transmission spectra of all modes, except for the NIRSpec PRISM, which is affected by partial saturation of the detector. This work provides strong evidence that uniform light curve analysis is an important aspect to ensuring reliability when comparing the high-precision transmission spectra provided by JWST.
Deeper and stronger North Atlantic Gyre during the Last Glacial Maximum
Authors: Wharton Jack H. , Renoult Martin , Gebbie Geoffrey , Keigwin Lloyd D. , Marchitto Thomas M. , Maslin Mark A. , Oppo Delia W. , Thornalley David J. R.
Published: July 2024

Subtropical gyre (STG) depth and strength are controlled by wind stress curl and surface buoyancy forcing1,2. Modern hydrographic data reveal that the STG extends to a depth of about 1 km in the Northwest Atlantic, with its maximum depth defined by the base of the subtropical thermocline. Despite the likelihood of greater wind stress curl and surface buoyancy loss during the Last Glacial Maximum (LGM)3, previous work suggests minimal change in the depth of the glacial STG4. Here we show a sharp glacial water mass boundary between 33° N and 36° N extending down to between 2.0 and 2.5 km—approximately 1 km deeper than today. Our findings arise from benthic foraminiferal δ18O profiles from sediment cores in two depth transects at Cape Hatteras (36–39° N) and Blake Outer Ridge (29–34° N) in the Northwest Atlantic. This result suggests that the STG, including the Gulf Stream, was deeper and stronger during the LGM than at present, which we attribute to increased glacial wind stress curl, as supported by climate model simulations, as well as greater glacial production of denser subtropical mode waters (STMWs). Our data suggest (1) that subtropical waters probably contributed to the geochemical signature of what is conventionally identified as Glacial North Atlantic Intermediate Water (GNAIW)5–7 and (2) the STG helped sustain continued buoyancy loss, water mass conversion and northwards meridional heat transport (MHT) in the glacial North Atlantic.
Glutamate acts on acid-sensing ion channels to worsen ischaemic brain injury
Authors: Lai Ke , Pritišanac Iva , Liu Zhen-Qi , Liu Han-Wei , Gong Li-Na , Li Ming-Xian , Lu Jian-Fei , Qi Xin , Xu Tian-Le , Forman-Kay Julie , Shi Hai-Bo , Wang Lu-Yang , Yin Shan-Kai
Published: July 2024

Glutamate is traditionally viewed as the first messenger to activate NMDAR (N-methyl-d-aspartate receptor)-dependent cell death pathways in stroke1,2, but unsuccessful clinical trials with NMDAR antagonists implicate the engagement of other mechanisms3–7. Here we show that glutamate and its structural analogues, including NMDAR antagonist l-AP5 (also known as APV), robustly potentiate currents mediated by acid-sensing ion channels (ASICs) associated with acidosis-induced neurotoxicity in stroke4. Glutamate increases the affinity of ASICs for protons and their open probability, aggravating ischaemic neurotoxicity in both in vitro and in vivo models. Site-directed mutagenesis, structure-based modelling and functional assays reveal a bona fide glutamate-binding cavity in the extracellular domain of ASIC1a. Computational drug screening identified a small molecule, LK-2, that binds to this cavity and abolishes glutamate-dependent potentiation of ASIC currents but spares NMDARs. LK-2 reduces the infarct volume and improves sensorimotor recovery in a mouse model of ischaemic stroke, reminiscent of that seen in mice with Asic1a knockout or knockout of other cation channels4–7. We conclude that glutamate functions as a positive allosteric modulator for ASICs to exacerbate neurotoxicity, and preferential targeting of the glutamate-binding site on ASICs over that on NMDARs may be strategized for developing stroke therapeutics lacking the psychotic side effects of NMDAR antagonists.
Six years of high-resolution climatic data collected along an elevation gradient in the Italian Alps
Authors: Zandonai Alessandro , Fontana Veronika , Klotz Johannes , Bertoldi Giacomo , Crepaz Harald , Tappeiner Ulrike , Niedrist Georg
Published: July 2024

The complex meso- and microclimatic heterogeneity inherent to mountainous regions, driven by both topographic and biotic factors, and the lack of observations, poses significant challenges to using climate models to predict and understand impacts at various scales. We present here a six-year dataset (2017–2022) of continuous climatic measurements collected at five elevations from 983 m to 2705 m above sea level in the Val Mazia - Matschertal valley in the Italian Alps. The measurements include the air temperature, relative humidity, wind speed and direction, solar radiation, soil properties, precipitation, and snow height. Collected within the European Long-Term Ecological Research program (LTER), this dataset is freely available in an open access repository. The time series may be valuable for the validation of regional climate models, atmospheric exchange modelling, and providing support for hydrological models and remote sensing products in mountain environments. Additionally, our data may be useful for research on the influence of elevation on ecological processes such as vegetation growth, plant composition, and soil biology. Beyond its utility in advancing such fundamental research, meteorological monitoring data contribute to informed socio-political decisions on climate adaptation strategies, land management, and water resource planning, enhancing the safety and resilience of mountain communities and biodiversity.
Experimental, theoretical and numerical simulation-based investigations on the fabricated Cu2ZnSn thin-film-based Schottky diodes with enhanced electron transport for solar cell
Authors: Mukhamale Sachin V. , Kartha Moses J. , Khirade Pankaj P.
Published: July 2024

Copper-zinc-tin Cu2ZnSn (CZT) thin films are promising materials for solar cell applications. This thin film was deposited on a fluorine-doped tin oxide (FTO) using an electrochemical deposition hierarchy. X-ray diffraction of thin-film studies confirms the variation in the structural orientation of CZT on the FTO surface. As the pH of the solution is increased, the nature of the CZT thin-film aggregate changes from a fern-like leaf CZT dendrite crystal to a disk pattern. The FE-SEM surface micrograph shows the dendrite fern leaf and sharp edge disks. The 2-D diffusion limitation aggregation under slippery conditions for ternary thin films was performed for the first time. The simulation showed that by changing the diffusing species, the sticking probability was responsible for the pH-dependent morphological change. Convincingly, diffusion-limited aggregation (DLA) simulations confirm that the initial structure of copper is responsible for the final structure of the CZT thin films. An experimental simulation with pH as a controlled parameter revealed phase transition in CZT thin films. The top and back contact of Ag-CZT thin films based on Schottky behavior give a better electronic mechanism in superstrate and substrate solar cells.
Visual perspective taking neural processing in forensic cases with high density EEG
Authors: Rochas Vincent , Montandon Marie-Louise , Rodriguez Cristelle , Herrmann François R. , Eytan Ariel , Pegna Alan J. , Michel Christoph M. , Giannakopoulos Panteleimon
Published: July 2024

This EEG study aims at dissecting the differences in the activation of neural generators between borderline personality disorder patients with court-ordered measures (BDL-COM) and healthy controls in visual perspective taking. We focused on the distinction between mentalizing (Avatar) and non-mentalizing (Arrow) stimuli as well as self versus other-perspective in the dot perspective task (dPT) in a sample of 15 BDL-COM cases and 54 controls, all of male gender. BDL-COM patients showed a late and diffuse right hemisphere involvement of neural generators contrasting with the occipitofrontal topography observed in controls. For Avatars only and compared to controls, the adoption of Self perspective involved a lower EEG activity in the left inferior frontal, right middle temporal cortex and insula in BDL-COM patients prior to 80 ms post-stimulus. When taking the Other-perspective, BDL-COM patients also showed a lower activation of superior frontal, right inferior temporal and fusiform cortex within the same time frame. The beta oscillation power was significantly lower in BDL-COM patients than controls between 400 and 1300 ms post stimulus in the Avatar-Other condition. These results indicate that BDL-COM patients display both altered topography of EEG activation patterns and reduced abilities to mobilize beta oscillations during the treatment of mentalistic stimuli in dPT.
Optimizing the location of vaccination sites to stop a zoonotic epidemic
Authors: Castillo-Neyra Ricardo , Xie Sherrie , Bellotti Brinkley Raynor , Diaz Elvis W. , Saxena Aris , Toledo Amparo M. , Condori-Luna Gian Franco , Rieders Maria , Bhattacharya Bhaswar B. , Levy Michael Z.
Published: July 2024

Mass vaccinations are crucial public health interventions for curbing infectious diseases. Canine rabies control relies on mass dog vaccination campaigns (MDVCs) that are held annually across the globe. Dog owners must bring their pets to fixed vaccination sites, but sometimes target coverage is not achieved due to low participation. Travel distance to vaccination sites is an important barrier to participation. We aimed to increase MDVC participation in silico by optimally placing fixed-point vaccination locations. We quantified participation probability based on walking distance to the nearest vaccination site using regression models fit to participation data collected over 4 years. We used computational recursive interchange techniques to optimally place fixed-point vaccination sites and compared predicted participation with these optimally placed vaccination sites to actual locations used in previous campaigns. Algorithms that minimized average walking distance or maximized expected participation provided the best solutions. Optimal vaccination placement is expected to increase participation by 7% and improve spatial evenness of coverage, resulting in fewer under-vaccinated pockets. However, unevenness in workload across sites remained. Our data-driven algorithm optimally places limited resources to increase overall vaccination participation and equity. Field evaluations are essential to assess effectiveness and evaluate potentially longer waiting queues resulting from increased participation.
Single-cell and extracellular nano-vesicles biosensing through phase spectral analysis of optical fiber tweezers back-scattering signals
Authors: Barros Beatriz J. , Cunha João P. S.
Published: July 2024

Diagnosis of health disorders relies heavily on detecting biological data and accurately observing pathological changes. A significant challenge lies in detecting targeted biological signals and developing reliable sensing technology for clinically relevant results. The combination of data analytics with the sensing abilities of Optical Fiber Tweezers (OFT) provides a high-capability, multifunctional biosensing approach for biophotonic tools. In this work, we introduced phase as a new domain to obtain light patterns in OFT back-scattering signals. By applying a multivariate data analysis procedure, we extract phase spectral information for discriminating micro and nano (bio)particles. A newly proposed method—Hilbert Phase Slope—presented high suitability for differentiation problems, providing features able to discriminate with statistical significance two optically trapped human tumoral cells (MKN45 gastric cell line) and two classes of non-trapped cancer-derived extracellular nanovesicles – an important outcome in view of the current challenges of label-free bio-detection for multifunctional single-molecule analytic tools.
Recent advancements in alginate-based films for active food packaging applications
Authors: Metha Chaitanya , Pawar Shrutee , Suvarna Vasanti
Published: July 2024

Food packaging possesses a critical role in preserving food quality, increasing food shelf life, and reducing waste.
Challenges and opportunities using Ni-rich layered oxide cathodes in Li-ion rechargeable batteries: the case of nickel cobalt manganese oxides
Authors: Singh Jitendra Pal , Devnani Harsha , Sharma Aditya , Lim Weon Cheol , Dhyani Archana , Chae Keun Hwa , Lee Sangsul
Published: July 2024

Doping, coating, surface modification, formation of composites and control of crystalline orientation can control the capacity retention of Ni-rich cathodes. Furthermore, the design of Co-free Ni-rich cathodes may provide a cost-effective solution.
Universal scales of electronegativity and ionicity from electron scattering factors
Authors: Zheng Jin-Cheng
Published: July 2024

Although electron scattering factors are based on neutral, free, atomic features, the scattering electronegativity and ionicity are able to provide rich charge or bonding information of materials in molecules or solid states.
Aqueous solution synthesis of lithium-ion conductive tin-based sulphide electrolytes
Authors: Kimura Takuya , Tanigaki Hayata , Sakuda Atsushi , Tatsumisago Masahiro , Hayashi Akitoshi
Published: July 2024

To overcome the challenges associated with the toxicity of the majority of organic solvents for the liquid phase synthesis, we demonstrate the synthesis of tin-based sulfide electrolytes using water as the most environmentally friendly solvent.
Correction: Sustainable electrochemical synthesis of dry formaldehyde from anhydrous methanol
Authors: Schwarz Florian , Larenz Elizabeth , Mechler Anna K.
Published: July 2024

Correction for ‘Sustainable electrochemical synthesis of dry formaldehyde from anhydrous methanol’ by Florian Schwarz et al., Green Chem., 2024, 26, 4645–4652, https://doi.org/10.1039/D3GC04978G.
Impact of hydrophilic side chains on the thin film transistor performance of a benzothieno–benzothiophene derivative
Authors: Gicevičius Mindaugas , James Ann Maria , Reicht Lukas , McIntosh Nemo , Greco Alessandro , Fijahi Lamiaa , Devaux Félix , Mas-Torrent Marta , Cornil Jérôme , Geerts Yves Henri , Zojer Egbert , Resel Roland , Sirringhaus Henning
Published: July 2024

Side-chain engineering in molecular semiconductors provides a versatile toolbox for precisely manipulating the material's processability, crystallographic properties, as well as electronic and optoelectronic characteristics.
Designing novel inhibitor derivatives targeting SARS-CoV-2 Mpro enzyme: a deep learning and structure biology approach
Authors: Joshi Tushar , Mathpal Shalini , Sharma Priyanka , Abraham Akshay , Solomon Rajadurai Vijay , Chandra Subhash
Published: July 2024

Graphical abstract showing the overall workflow for the analysis of the ChEMBL dataset: from de novo library generation to MD Simulation.
Studies on a niobia-supported VPO catalyst for glycerol dehydration
Authors: Pethan Rajan N. , Ginjupalli Srinivasa Rao , Gadamsetti Sailaja , Balla Putrakumar , Chary Komandur V. R.
Published: July 2024

Niobia-supported VPO catalysts were synthesized using the deposition–precipitation method with different VPO loadings to evaluate glycerol dehydration. The activity patterns are consistent with the acidity trends.
Optimization of high efficiency lead-free double perovskite Dy2NiMnO6 (DNMO) for optimal solar cell and renewable energy applications: a numerical SCAPS-1D simulation
Authors: Shahadath Nazmul , Siddique Md. Abu Bakkar , Tarekuzzaman Md. , Ishraq Mohammad Hasin , Rahman Md. Ferdous , Arfi Asif Mohammed , Rasheduzzaman Md. , Mostafa S. M. G. , Hasan Md. Zahid
Published: July 2024

(a) Crystal structure of Dy2NiMnO6. (b) Energy band alignment of an optimized solar cell structure of ITO/WS2/DNMO/CFTS/Au.
Correction: Biosynthesis, biological activities, and structure–activity relationships of decalin-containing tetramic acid derivatives isolated from fungi
Authors: Kim Hyun Woo , Lee Jin Woo , Shim Sang Hee
Published: July 2024

Correction for ‘Biosynthesis, biological activities, and structure–activity relationships of decalin-containing tetramic acid derivatives isolated from fungi’ by Hyun Woo Kim et al., Nat. Prod. Rep., 2024, https://doi.org/10.1039/d4np00013g.
Ultrafast and high-resolution X-ray imaging based on zero-dimensional organic silver halides
Authors: Zhou Yongqiang , Wang Zixian , Guo linfeng , Huang Lei , Liu Yichen , Wu Mengyue , Zhang Qian , An Kang , He Peng , Wang Fei , Du Juan , Liu Zhengzheng , Hu Zhiping , Leng Yuxin , Pu Yayun , Lai Jun’an , Tang Xiaosheng
Published: July 2024

Supersensitive and fast X-ray imaging is of great importance in medical diagnosis, industrial flaw detection, security and safety inspection, and frontier science exploration.
Recent advancements in carbon fiber-based sustainable electrodes for flexible and wearable supercapacitors
Authors: Thomas Susmi Anna , Cherusseri Jayesh , Rajendran Deepthi N.
Published: July 2024

Synthesis and characterizations of carbon fiber (CF)-based nanocomposite/hybrid electrodes for flexible supercapacitors are discussed. Furthermore, the electrochemical performance evaluations of CF-based electrodes are reviewed.
Synthesis of high molecular weight poly(ricinoleic acid) via direct solution polycondensation in hydrophobic ionic liquids
Authors: Wang Lulu , Yuan Hua , Ma Xiaoli , Li Zijin , Sun Haowei , Zhang Xiaoyan , Huang Xiaoyu , Peng Qiaohong , Tan Yeqiang
Published: July 2024

Hydrophobic ionic liquids are excellent solvents for the solution polycondensation of methyl ricinoleate, and the derived high molecular weight bio-based poly(ricinoleic acid) has remarkable recyclability and sustainability.
Unlocking the potential of NiV-LDH@Mn2O3 heterostructure via band gap modulation for enhanced water splitting
Authors: Madhu Ragunath , Kundu Subrata
Published: July 2024

A NiV-LDH/Mn2O3 on NF shows exceptional OER/HER performance in 1 M KOH (298/185 mV@50 mA cm−2) with high stability (54/48 h). Two-electrode system using this material achieves a low voltage (1.604 V@10 mA cm−2) and 70 h stability.
Perovskites: from materials science to devices
Authors: Kot Małgorzata , Das Chittaranjan , Alonso Clara Patricia Aranda , Prochowicz Daniel
Published: July 2024

An introduction to the Journal of Materials Chemistry C themed collection on perovskite materials.
The C-terminal sequences of Bcl-2 family proteins mediate interactions that regulate cell death
Authors: Nguyen Dang , Osterlund Elizabeth , Kale Justin , Andrews David W.
Published: July 2024

Programmed cell death via the both intrinsic and extrinsic pathways is regulated by interactions of the Bcl-2 family protein members that determine whether the cell commits to apoptosis via mitochondrial outer membrane permeabilization (MOMP). Recently the conserved C-terminal sequences (CTSs) that mediate localization of Bcl-2 family proteins to intracellular membranes, have been shown to have additional protein-protein binding functions that contribute to the functions of these proteins in regulating MOMP. Here we review the pivotal role of CTSs in Bcl-2 family interactions including: (1) homotypic interactions between the pro-apoptotic executioner proteins that cause MOMP, (2) heterotypic interactions between pro-apoptotic and anti-apoptotic proteins that prevent MOMP, and (3) heterotypic interactions between the pro-apoptotic executioner proteins and the pro-apoptotic direct activator proteins that promote MOMP.
Zur eigenständigen Durchführung von heilkundlichen Maßnahmen durch Notfallsanitäter im Rettungsdienst – ein narratives Review auf Grundlage retrospektiver Untersuchungen von Notfallprotokollen
Authors: Koch Sebastian , Buhtz Christian , Wolf Florian
Published: July 2024

Laut aktueller Studienlage führen Notfallsanitäter trotz Freigabe wenige invasive heilkundliche Maßnahmen nach § 4 Absatz 2 Nr. 1c und 2c des Notfallsanitätergesetzes (NotSanG) durch.

Für dieses narrative Review konnten mittels eines spezifischen Rechercheprinzips 8 relevante Primärstudien identifiziert werden. Ziel war es, die vorliegenden Daten der eingeschlossenen Studien hinsichtlich der selbstständig durchgeführten invasiven heilkundlichen Maßnahmen durch Notfallsanitäter zu kategorisieren und zu vergleichen.

Insgesamt gingen ngesamt = 60524 Einsätze von Notfallsanitätern ohne ärztliche Beteiligung in die Analyse ein. Es wurde deutlich, dass nur in 17,2% der eigenständig durchgeführten Einsätze invasive heilkundliche Maßnahmen nach § 4 Absatz 2 Nr. 1c und 2c NotSanG angewendet wurden. Hiervon konnten in n2c
 
Med. = 56507 rettungsdienstlicher Einsätze pharmakologische Maßnahmen ohne ärztliche Beteiligung ausgewertet werden. Notfallsanitäter führten in nur 1,7% dieser Einsätze selbstständige pharmakologische Maßnahmen nach § 4 Absatz 2 Nr. 2c NotSanG durch.

Weitere Untersuchungen beruflicher Handlungsfelder in der Notfall- und Rettungsmedizin sind notwendig, um Versorgungsstrukturen zu analysieren und zu optimieren. Dies ermöglicht nicht nur Rückschlüsse auf die zukünftige Aus-, Fort- und Weiterbildung von Notfallsanitätern, sondern es eröffnet die Möglichkeit, außerklinische Versorgungsstrukturen dem aktuellen Stand der Wissenschaft und den tatsächlichen Versorgungsbedarfen der Patienten anzupassen.
Reducing Fear and Enhancing Aesthetics: Orthodontic Management with Video Self-Modeling in an Adolescent with Autism Spectrum Disorder
Authors: Dutta Kripa , Saha Swagata , Reddy Harshita , Reenayai Ngangbam , Shetty Rajmohan Y. , Rai Kavita , Raman Nair Manju
Published: July 2024

Introduction Autism spectrum disorder (ASD) presents challenges in social interaction and communication, particularly in the context of orthodontic treatment where patients may experience heightened anxiety. This case report introduces an innovative approach that utilizes video self-modeling (VSM) to address these challenges and enhance the orthodontic treatment experience for adolescents with ASD.

Case Report An 11-year-old female patient with ASD required orthodontic treatment. Conventional behavioral guidance techniques were unsuccessful because of the patient's anxiety and sensory sensitivity. Utilizing VSM, we crafted personalized video content to illustrate the dental procedure, significantly alleviating patient's fear and anxiety. This approach led to the successful completion of her orthodontic treatment.

Conclusion This case report underscores the effectiveness of VSM as a valuable behavioral guidance technique in orthodontic treatment for adolescents with ASD. By alleviating anxiety and fear, VSM has the potential to significantly enhance the dental care experience and promote improved oral health and well-being in this specific patient population.
Comparison Efficacy of Phenobarbital versus Levetiracetam in Acute Neonatal Seizures: A Randomized Control Trial
Authors: Saadati Alireza , Kalhor Narges , Afshari Sara , Hassanvand Amouzadeh Masoud , Saffari Mansoreh , Mollamohamadi Mohsen
Published: July 2024

Seizures in infancy are one of the main manifestations of disorders in the central nervous system that can have important etiologies. The development of anticonvulsant drugs and the importance of drug selection in infants, due to more complex underlying etiologies, compared with older ages, explicate the essentiality of executing clinical investigations to appraise the optimal therapeutic approach. The objective of the current investigation is to juxtapose two therapeutic approaches involving intravenous levetiracetam and intravenous phenobarbital in the management of neonatal seizures. This is a randomized controlled clinical trial study on 100 infants who were referred to the Hazrat Masoumeh (S) Hospital in Qom owing to convulsions. Infants with seizure who fulfilled the inclusion criteria were arbitrarily allocated to one of the two intervention cohorts: intravenous levetiracetam or intravenous phenobarbital, and therapeutic responses were compared. There was a substantial relationship between seizure time, seizure etiology, anticonvulsant therapy type, and treatment responsiveness. As a result, the risks of not responding to therapy and increasing the dose were approximately 6 and 5 times higher, respectively, in the group that experienced seizures in the fourth week than in the other groups. Infants with cerebrovascular anomalies were more prone to not responding to treatment. Furthermore, children administered phenobarbital had a 2.5-fold higher chance of not responding to treatment than those given levetiracetam (p = 0.043).
Clinical Characteristics of Necrotizing Enterocolitis Diagnosed by Independent Adjudication of Abdominal Radiographs, Laparotomy, or Autopsy in Preterm Infants in the “Connection Trial”
Authors: Neu Josef , Singh Rachana , Demetrian Mihaela , Flores-Torres Jaime , Hudak Mark , Zupancic John A. , Kronström Anders , Rastad Jonas , Strömberg Staffan , Thuresson Marcus ,   The “Connection Study” Group
Published: July 2024

Objective Necrotizing enterocolitis (NEC) classically is diagnosed by radiographic demonstration of pneumatosis intestinalis/portal venous gas (PI/PVG). This study examines clinical characteristics of NEC confirmed by independent evaluation of abdominal radiographs, taken for clinical signs of NEC, or by pathologic findings at laparotomy or autopsy (confirmed NEC [cNEC]).

Study Design The investigated cohort included 1,382 extremely low birth weight (BW) infants (BW range: 500–1,000 g) with median 27 weeks (range: 23–32) gestational age (GA) at birth. They were randomized into the placebo-controlled “Connection Trial” of the new biological drug candidate IBP-9414 with cNEC as one primary endpoint.

Results Total 119 infants (8.6%) had cNEC diagnosed at median 14 days of age by confirming PI/PVG at X-ray adjudication (n = 111) and/or by surgery/autopsy (n = 21). Sixteen percent of cNEC cases died. Adverse events of NEC were reported in 8.5% of infants and 4.1% had NEC diagnosed by radiology and surgery/autopsy at the participating centers. Regression analyses showed that the risk of cNEC decreased by 11 to 30% for every 100-g increment in BW and single-week increment in GA and associated cNEC with odds ratios (ORs) > 2.0 for gastrointestinal (GI) perforation and obstruction, hypotension, hypokalemia, hypophosphatemia, and death. Comparing risks of cNEC in infants below and above 750-g BW showed higher ORs (2.7–4.3) for GI perforation, hypotension, hypokalemia, and renal complications in the smaller infants, whereas the bigger infants had higher ORs (1.9–3.2) for serious non-GI events, late-onset sepsis (LOS), and death. Predictors of cNEC (hazard ratio, HR > 1.5) included serious non-GI events (mainly infections), hyponatremia, and hyperglycemia, whereas the HR was 0.52 for intravenous antibiotics. After cNEC diagnosis, there were higher rates of GI perforation and obstruction, hypotension, hypokalemia, and LOS.

Conclusion Independent adjudication of abdominal radiographs increased radiological recognition of NEC and proved to be feasible in a multicenter study setting as well as able to diagnose clinically relevant NEC.

Key Points
Simulations provide insight into improving living conditions in dense urban areas
Authors: Lim Alane
Published: July 2024

Skyway bridges connecting urban buildings alter wind patterns, which may impede livability.
Reduction reactions at the interface between CdS quantum dot and Z-type ligands driven by electron injection in the electroluminescent processes
Authors: Huo Xiangyu , Xie Yujuan , Wang Xian , Zhang Li , Yang Mingli
Published: July 2024

The efficient and stable electroluminescence of quantum dots (QDs) is of great importance in their applications in new display technologies. The short service life of blue QDs, however, hinders their development and commercialization. Different mechanisms have been proposed for the destabilization of QDs in electroluminescent processes. Based on real-time time-dependent density functional theory studies on the QD models covered by Z-type ligands (XAc2, X = Cd, Zn, Mg), the structural evolution is simulated to reveal the mechanism of the reduction reactions induced by electron injection. Our simulations reproduce the experimental observations that the reduction reactions occur at the QD–ligand interface, and the reduced Cd atom is almost in a zero valence state. However, different sites are predicted for the reactions in which the surface metal atom of the QD instead of the metal atom in the ligands is reduced. As a result, one of the arms of the chelate ligand leaves the QD, which tends to cause damage to its electroluminescent performance. Our findings contribute to a mechanistic understanding of the reduction reactions that occurred at the QD–ligand interface.
Stochastic computer experiments of the thermodynamic irreversibility of bulk nanobubbles in supersaturated and weak gas–liquid solutions
Authors: Al-Awad Abdulrahman S. , Batet Lluis , Rives Ronny , Sedano Luis
Published: July 2024

Spontaneous gas-bubble nucleation in weak gas–liquid solutions has been a challenging topic in theory, experimentation, and computer simulations. In analogy with recent advances in crystallization and droplet formation studies, the diffusive-shielding stabilization and thermodynamic irreversibility of bulk nanobubble (bNB) mechanisms are revisited and deployed to characterize nucleation processes in a stochastic framework of computer experiments using the large-scale atomic/molecular massively parallel simulator code. Theoretical bases, assumptions, and limitations underlying the irreversibility hypothesis of bNBs, and their computational counterparts, are extensively described and illustrated. In essence, it is established that the irreversibility hypothesis can be numerically investigated by converging the system volume (due to the finiteness of interatomic forces) and the initial dissolved-gas concentration in the solution (due to the single-bNB limitation). Helium nucleation in liquid Pb17Li alloy is selected as a representative case study, where it exhibits typical characteristics of noble-gas/liquid-metal systems. The proposed framework lays down the bases on which the stability of gas-bNBs in weak and supersaturated gas–liquid solutions can be inferred and explained from a novel perspective. In essence, it stochastically marches toward a unique irreversible state along out-of-equilibrium nucleation/growth trajectories. Moreover, it does not attempt to characterize the interface or any interface-related properties, neither theoretically nor computationally. It was concluded that bNBs of a few tens of He-atoms are irreversible when dissolved-He concentrations in the weak gas–liquid solution are at least ∼50 and ∼105 mol m−3 at 600 and 1000 K (and ∼80 MPa), respectively, whereas classical molecular dynamics -estimated solubilities are at least two orders of magnitude smaller.
Electromagnetic ion cyclotron emission from ion-scale magnetic holes
Authors: Shahid Muhammad , Bashir M. Fraz , Artemyev Anton V. , Zhang Xiao-Jia , Angelopoulos Vassilis , Murtaza G.
Published: July 2024

Ion-scale magnetic holes are nonlinear plasma structures commonly observed in the solar wind and Earth's magnetosphere. These holes are characterized by the magnetic field depletion filled by hot, transversely anisotropic ions and electrons and are likely formed during the nonlinear stage of ion mirror instability. Due to the plasma thermal anisotropy within magnetic holes, they serve as a host of electromagnetic ion cyclotron waves, whistler-mode waves, and electron cyclotron harmonic waves. This makes magnetic holes an important element of the Earth's inner magnetosphere, where electromagnetic waves generated within may strongly contribute to energetic ion and electron scattering. Such scattering, however, will modify the hot-ion distribution that is trapped within magnetic holes and responsible for the magnetic field stress balance. Therefore, hot ion scattering within magnetic holes likely determines the hole lifetime. In this study, we investigate how ion scattering by electromagnetic waves affects the stress balance and lifetime of magnetic holes. For illustration, we used typical characteristics of magnetic holes, ion populations, and ion cyclotron waves observed in the Earth's magnetosphere. We have demonstrated that ion distribution isotropization via scattering by waves does not change significantly magnetic hole magnitude, but ion losses due to scattering into the atmosphere may limit the hole life-times to 10–30 min in the Earth's inner magnetosphere.
Ejecta splashing and scaling of projectile oblique impact on granular media
Authors: Ye Xiaoyan , Xiu Yingnan , Yang Xin
Published: July 2024

Ejecta splashing is accompanied by the formation of impact craters in oblique impact of a sphere onto a granular target. We investigated the morphology and scaling of the ejection, together with the evolution and final size of crater by performing a series of experiments, varying the impact angle θ and impact speed V0. The experiment categorized the crater shapes in the space parameters Fr and θ and revealed that the maximum ejecta height exhibits two regimes related to Froude number, while the crater length, width, and depth are all collapsed to a master line. Then, the evolution characteristics of the corolla dimensions (top diameter, neck size, bottom diameter, and height) are determined. Moreover, a simple ballistic model taking into account the air drag force acting on the ejecta has been proposed to predict the dynamic processes of the corolla in oblique impacts. Furthermore, the opening of the crater formation deduced by the dynamics of the corolla formed and the collapsing process (i.e., the splashed sand avalanching down along the wall of the crater) have been investigated in detail using a simplified Bouchaud–Cates–Ravi–Edwards model. Our theoretical model demonstrated high accuracy in reproducing the evolution of a crater during impacting and in predicting the final crater scaling after avalanching.
Research on thermal mass flowmeter (TMF) measurement of coalbed methane (CBM) well production profile
Authors: Li Lei , Wang Ming , Wang Dahai
Published: July 2024

Developing coalbed methane (CBM) aligns with global climate change policies and sustainable energy development. Currently, methods for testing gas and water production profiles in CBM wells are diverse. A downhole constant-flow thermal mass flowmeter (TMF) was designed to address the difficulty of testing gas production above the liquid level in low-yield CBM wells. A computational fluid dynamics model with a 125 mm diameter pipe was established to study the TMF’s temperature field and thermal equilibrium time as the gas flow rate changes. The relationship curve between temperature, thermal equilibrium time, and flow rate changes was obtained. The effect of the TMF’s installation angle and position in the wellbore on resolution was discussed. Experimental research on a multiphase flow simulation apparatus showed that the TMF has good response capability and testing accuracy in a gas environment. Measuring downhole flow rates using the thermal flow meters is feasible and meets the testing requirements of CBM wells.
Mechanically strong and room-temperature magnetocaloric monolayer VSi2N4 semiconductor
Authors: He Weiwei , Yin Yan , Tang Ziming , Wang Xiaofan , Yuan Hang , Gong Qihua , Yi Min
Published: July 2024

In the realm of emerging two-dimensional MoSi2N4 family, the majority of research endeavors gravitate toward their versatile physical properties, while their magnetocaloric effect (MCE) for the potential refrigeration application remains uncharted. Here, we comprehensively explore the magnetic, electronic, mechanical, and magnetocaloric properties of monolayer VA2Z4 (A = Si, Ge; Z = N, P, As) family by multiscale simulations, revealing that monolayer VSi2N4 semiconductor is mechanically strong and exhibits room-temperature MCE. The nonlinear elastic response of VSi2N4 unveils strong mechanical properties, featuring a substantial in-plane Young's modulus (E2D∼ 350 N/m) and a high strength of 40.8 N/m, comparable to that of graphene. Monolayer VSi2N4 exhibits a room-temperature MCE with an extensive refrigeration temperature range up to 20 K. Furthermore, applying biaxial strain can significantly improve the maximum magnetic entropy change (−ΔSMmax) and maximum adiabatic temperature change (ΔTadmax) by 80.9% and 197.3%, respectively. Room-temperature MCE with wide working temperature and mechanical robustness make monolayer VSi2N4 an appealing candidate for magnetic refrigeration applications over large temperature range. These findings offer fresh insights for advancing the development of magnetic cooling in small-sized systems.
A self-consistent unified solid-multiphase flow shock model under complex thermodynamic states: For the application of mass-loaded single-turn coils
Authors: Ge Aoming , Pan Ziying , Lv Yiliang , Peng Tao
Published: July 2024

Single-turn coil (STC) is a destructive pulsed magnet aiming at 100–300 T magnetic field. Mass-loading is the method to increase STC magnetic field. In this study, a unified solid-multiphase flow model is proposed to solve the shock contact problem between the conductor and mass-loading material. This model gives the approach to equate the solid to viscid fluid and equate the melted material to solid and derives the constitutive model for the conductor under non-adiabatic state. Especially, the method to calculate non-adiabatic modulus is investigated. The results show that the equivalent viscosity of solid decreases as the strain rate rises. Moreover, the equivalent shear modulus of the melted solid increases as the strain rate rises, and considering this equivalent shear modulus rather than setting it to zero improves the simulation convergence significantly. This model can provide not only theoretical support for the optimal design of destructive pulse magnets but also methods for theoretical modeling of other types of electromagnetic explosion and shock contact experiments under non-adiabatic condition.
Entropy transport for quasi-one-dimensional flow
Authors: Oliva Andrew A. , Szczudlak Joshua D. , Jemcov Aleksandar , Morris Scott C.
Published: July 2024

The study of entropy in the context of quasi-one-dimensional flow is expanded in this work. Specifically, a new entropy transport equation is derived and integrated into a closed-form algebraic expression for entropy change. The derivation identifies the respective components of the entropy change and is valid for flows with an arbitrary combination of area change, heat transfer, and friction. The irreversibility is identified and found to be composed of frictional dissipation, irreversible heat transfer, and irreversible flow work. The irreversible flow work is a new term that results from the restriction to quasi-one-dimensional flows. The algebraic expression for each component of the entropy change is first validated using several canonical flows (i.e., isentropic, Fanno, Rayleigh, and a normal shock). A unique entropy production mechanism is identified for each of the entropy producing canonical flows (e.g., Fanno, Rayleigh, and a normal shock). Two additional cases, sudden expansion and contraction, are then considered and show that irreversible flow work is the sole entropy production mechanism. Finally, simultaneous friction and heat transfer are examined, and the overall entropy change is decomposed into the respective contributions from frictional dissipation and the heat transfer terms. In all cases, the net entropy change from the newly derived expressions agrees with known solutions to within numerical precision.