bluuebunny/crossref_metadata_2025 huggingface dataset:
Condensation heat transfer in microgravity conditions
Authors: Berto Arianna , Azzolin Marco , Bortolin Stefano , Miscevic Marc , Lavieille Pascal , Del Col Davide
Published: April 2023

In the present paper, a thorough review of the experimental and numerical studies dealing with filmwise and dropwise condensation under microgravity is reported, covering mechanisms both inside tubes and on plain or enhanced surfaces. The gravity effect on the condensation heat transfer is examined considering the results of studies conducted both in terrestrial environment and in the absence of gravity. From the literature, it can be inferred that the influence of gravity on the condensation heat transfer inside tubes can be limited by increasing the mass flux of the operating fluid and, at equal mass flux, by decreasing the channel diameter. There are flow conditions at which gravity does exert a negligible effect during in-tube condensation: predictive tools for identifying such conditions and for the evaluation of the condensation heat transfer coefficient are also discussed. With regard to dropwise condensation, if liquid removal depends on gravity, this prevents its application in low gravity space systems. Alternatively, droplets can be removed by the high vapor velocity or by passive techniques based on the use of condensing surfaces with wettability gradients or micrometric/nanometric structuration: these represent an interesting solution for exploiting the benefits of dropwise condensation in terms of heat transfer enhancement and equipment compactness in microgravitational environments. The experimental investigation of the condensation heat transfer for long durations in steady-state zero-gravity conditions, such as inside the International Space Station, may compensate the substantial lack of repeatable experimental data and allow the development of reliable design tools for space applications.
Experimental simulation of loop quantum gravity on a photonic chip
Authors: van der Meer Reinier , Huang Zichang , Anguita Malaquias Correa , Qu Dongxue , Hooijschuur Peter , Liu Hongguang , Han Muxin , Renema Jelmer J. , Cohen Lior
Published: April 2023

The unification of general relativity and quantum theory is one of the fascinating problems of modern physics. One leading solution is Loop Quantum Gravity (LQG). Simulating LQG may be important for providing predictions which can then be tested experimentally. However, such complex quantum simulations cannot run efficiently on classical computers, and quantum computers or simulators are needed. Here, we experimentally demonstrate quantum simulations of spinfoam amplitudes of LQG on an integrated photonics quantum processor. We simulate a basic transition of LQG and show that the derived spinfoam vertex amplitude falls within 4% error with respect to the theoretical prediction, despite experimental imperfections. We also discuss how to generalize the simulation for more complex transitions, in realistic experimental conditions, which will eventually lead to a quantum advantage demonstration as well as expand the toolbox to investigate LQG.
Extreme flooding controlled by stream network organization and flow regime
Authors: Basso Stefano , Merz Ralf , Tarasova Larisa , Miniussi Arianna
Published: April 2023

River floods are among the most common natural disasters worldwide, with substantial economic and humanitarian costs. Despite enormous efforts, gauging the risk of extreme floods with unprecedented magnitude is an outstanding challenge. Limited observational data from very high-magnitude flood events hinders prediction efforts and the identification of discharge thresholds marking the rise of progressively larger floods, termed flood divides. Combining long hydroclimatic records and a process-based model for flood hazard assessment, here we demonstrate that the spatial organization of stream networks and the river flow regime control the appearance of flood divides and extreme floods. In contrast with their ubiquitous attribution to extreme rainfall and anomalous antecedent conditions, we show that the propensity to generate extreme floods is well predicted by intrinsic properties of river basins. Most importantly, it can be assessed prior to the occurrence of catastrophes through measurable metrics of these properties derived from commonly available discharge data, namely the hydrograph recession exponent and the coefficient of variation of daily flows. These results highlight the propensity of certain rivers for generating extreme floods and demonstrate the importance of using hazard mapping tools that, rather than solely relying on past flood records, identify regions susceptible to the occurrence of extreme floods from ordinary discharge dynamics.
Chiral antiferromagnetic Josephson junctions as spin-triplet supercurrent spin valves and d.c. SQUIDs
Authors: Jeon Kun-Rok , Hazra Binoy Krishna , Kim Jae-Keun , Jeon Jae-Chun , Han Hyeon , Meyerheim Holger L. , Kontos Takis , Cottet Audrey , Parkin Stuart S. P.
Published: April 2023

Spin-triplet supercurrent spin valves are of practical importance for the realization of superconducting spintronic logic circuits. In ferromagnetic Josephson junctions, the magnetic-field-controlled non-collinearity between the spin-mixer and spin-rotator magnetizations switches the spin-polarized triplet supercurrents on and off. Here we report an antiferromagnetic equivalent of such spin-triplet supercurrent spin valves in chiral antiferromagnetic Josephson junctions as well as a direct-current superconducting quantum interference device. We employ the topological chiral antiferromagnet Mn3Ge, in which the Berry curvature of the band structure produces fictitious magnetic fields, and the non-collinear atomic-scale spin arrangement accommodates triplet Cooper pairing over long distances (>150 nm). We theoretically verify the observed supercurrent spin-valve behaviours under a small magnetic field of <2 mT for current-biased junctions and the direct-current superconducting quantum interference device functionality. Our calculations reproduce the observed hysteretic field interference of the Josephson critical current and link these to the magnetic-field-modulated antiferromagnetic texture that alters the Berry curvature. Our work employs band topology to control the pairing amplitude of spin-triplet Cooper pairs in a single chiral antiferromagnet.
G-CSF drives autoinflammation in APLAID
Authors: Mulazzani Elisabeth , Kong Klara , Aróstegui Juan I. , Ng Ashley P. , Ranathunga Nishika , Abeysekera Waruni , Garnham Alexandra L. , Ng Sze-Ling , Baker Paul J. , Jackson Jacob T. , Lich John D. , Hibbs Margaret L. , Wicks Ian P. , Louis Cynthia , Masters Seth L.
Published: April 2023

Missense mutations in PLCG2 can cause autoinflammation with phospholipase C gamma 2-associated antibody deficiency and immune dysregulation (APLAID). Here, we generated a mouse model carrying an APLAID mutation (p.Ser707Tyr) and found that inflammatory infiltrates in the skin and lungs were only partially ameliorated by removing inflammasome function via the deletion of caspase-1. Also, deleting interleukin-6 or tumor necrosis factor did not fully prevent APLAID mutant mice from autoinflammation. Overall, these findings are in accordance with the poor response individuals with APLAID have to treatments that block interleukin-1, JAK1/2 or tumor necrosis factor. Cytokine analysis revealed increased granulocyte colony-stimulating factor (G-CSF) levels as the most distinct feature in mice and individuals with APLAID. Remarkably, treatment with a G-CSF antibody completely reversed established disease in APLAID mice. Furthermore, excessive myelopoiesis was normalized and lymphocyte numbers rebounded. APLAID mice were also fully rescued by bone marrow transplantation from healthy donors, associated with reduced G-CSF production, predominantly from non-hematopoietic cells. In summary, we identify APLAID as a G-CSF-driven autoinflammatory disease, for which targeted therapy is feasible.
Concurrent intrathecal and intravenous nivolumab in leptomeningeal disease: phase 1 trial interim results
Authors: Glitza Oliva Isabella C. , Ferguson Sherise D. , Bassett Roland , Foster Alexandra P. , John Ida , Hennegan Tarin D. , Rohlfs Michelle , Richard Jessie , Iqbal Masood , Dett Tina , Lacey Carol , Jackson Natalie , Rodgers Theresa , Phillips Suzanne , Duncan Sheila , Haydu Lauren , Lin Ruitao , Amaria Rodabe N. , Wong Michael K. , Diab Adi , Yee Cassian , Patel Sapna P. , McQuade Jennifer L. , Fischer Grant M. , McCutcheon Ian E. , O’Brien Barbara J. , Tummala Sudhakar , Debnam Matthew , Guha-Thakurta Nandita , Wargo Jennifer A. , Carapeto Fernando C. L. , Hudgens Courtney W. , Huse Jason T. , Tetzlaff Michael T. , Burton Elizabeth M. , Tawbi Hussein A. , Davies Michael A.
Published: April 2023

There is a critical need for effective treatments for leptomeningeal disease (LMD). Here, we report the interim analysis results of an ongoing single-arm, first-in-human phase 1/1b study of concurrent intrathecal (IT) and intravenous (IV) nivolumab in patients with melanoma and LMD. The primary endpoints are determination of safety and the recommended IT nivolumab dose. The secondary endpoint is overall survival (OS). Patients are treated with IT nivolumab alone in cycle 1 and IV nivolumab is included in subsequent cycles. We treated 25 patients with metastatic melanoma using 5, 10, 20 and 50 mg of IT nivolumab. There were no dose-limiting toxicities at any dose level. The recommended IT dose of nivolumab is 50 mg (with IV nivolumab 240 mg) every 2 weeks. Median OS was 4.9 months, with 44% and 26% OS rates at 26 and 52 weeks, respectively. These initial results suggest that concurrent IT and IV nivolumab is safe and feasible with potential efficacy in patients with melanoma LMD, including in patients who had previously received anti-PD1 therapy. Accrual to the study continues, including in patients with lung cancer. ClinicalTrials.gov registration: NCT03025256.
Norepinephrine links astrocytic activity to regulation of cortical state
Authors: Reitman Michael E. , Tse Vincent , Mi Xuelong , Willoughby Drew D. , Peinado Alba , Aivazidis Alexander , Myagmar Bat-Erdene , Simpson Paul C. , Bayraktar Omer A. , Yu Guoqiang , Poskanzer Kira E.
Published: April 2023

Cortical state, defined by population-level neuronal activity patterns, determines sensory perception. While arousal-associated neuromodulators—including norepinephrine (NE)—reduce cortical synchrony, how the cortex resynchronizes remains unknown. Furthermore, general mechanisms regulating cortical synchrony in the wake state are poorly understood. Using in vivo imaging and electrophysiology in mouse visual cortex, we describe a critical role for cortical astrocytes in circuit resynchronization. We characterize astrocytes’ calcium responses to changes in behavioral arousal and NE, and show that astrocytes signal when arousal-driven neuronal activity is reduced and bi-hemispheric cortical synchrony is increased. Using in vivo pharmacology, we uncover a paradoxical, synchronizing response to Adra1a receptor stimulation. We reconcile these results by demonstrating that astrocyte-specific deletion of Adra1a enhances arousal-driven neuronal activity, while impairing arousal-related cortical synchrony. Our findings demonstrate that astrocytic NE signaling acts as a distinct neuromodulatory pathway, regulating cortical state and linking arousal-associated desynchrony to cortical circuit resynchronization.
Control of transcription elongation and DNA repair by alarmone ppGpp
Authors: Weaver Jacob W. , Proshkin Sergey , Duan Wenqian , Epshtein Vitaly , Gowder Manjunath , Bharati Binod K. , Afanaseva Elena , Mironov Alexander , Serganov Alexander , Nudler Evgeny
Published: April 2023

Second messenger (p)ppGpp (collectively guanosine tetraphosphate and guanosine pentaphosphate) mediates bacterial adaptation to nutritional stress by modulating transcription initiation. More recently, ppGpp has been implicated in coupling transcription and DNA repair; however, the mechanism of ppGpp engagement remained elusive. Here we present structural, biochemical and genetic evidence that ppGpp controls Escherichia coli RNA polymerase (RNAP) during elongation via a specific site that is nonfunctional during initiation. Structure-guided mutagenesis renders the elongation (but not initiation) complex unresponsive to ppGpp and increases bacterial sensitivity to genotoxic agents and ultraviolet radiation. Thus, ppGpp binds RNAP at sites with distinct functions in initiation and elongation, with the latter being important for promoting DNA repair. Our data provide insights on the molecular mechanism of ppGpp-mediated adaptation during stress, and further highlight the intricate relationships between genome stability, stress responses and transcription.
Expanded forehead flap in Asian nasal reconstruction
Authors: Wei Muqian , Bu Xi , Wang Guanhuier , Zhen Yonghuan , Yang Xin , Li Dong , An Yang
Published: April 2023

This article reviewed our experience of Chinese nasal reconstruction over 12 years and evaluated the effect of expanded forehead flap both aesthetically and functionally. The special skin type and other anatomic features of Chinese patients was understood thoroughly during the treatment. This article thus catered for the need of multiracial nasal reconstruction. We analyzed existing clinical data and demonstrated a typical case in detail. The postoperative result supported our strategy which advocated the extensive application of expanded forehead flap, together with flip scar flap as the internal lining. The features of Chinese patients also prompted the use of costal and auricular cartilage. Emerging technology like 3D-printing would benefit nasal reconstruction from more aspects.
Non-invasive authentication of mail packages using nuclear quadrupole resonance spectroscopy
Authors: Horace-Herron Kelsey , Masna Naren Vikram Raj , Dehghanzadeh Peyman , Mandal Soumyajit , Bhunia Swarup
Published: April 2023

The international postal network is one of the most widely used methods for correspondence throughout the world. Most postal traffic across the globe consists of legitimate interpersonal, business-consumer, and business-business communications. However, the global postal system is also utilized for criminal activity. In particular, it is often utilized to ship and distribute contraband, including illegal psychoactive drugs such as fentanyl and heroin, to consumers. Existing technological solutions are capable of identifying synthetic opioids and other illegal drugs within packages, but are accompanied by several disadvantages that make them unsuitable for large-scale authentication of international mail traffic. This paper presents a novel method for non-invasive authentication of mail packages that overcomes these challenges. The approach uses nuclear quadrupole resonance (NQR) spectroscopy to detect and quantify the presence of known active pharmaceutical ingredients (APIs) within the package. It has been experimentally demonstrated using a bench top prototype. Test results from a variety of package types demonstrate the effectiveness of the proposed authentication approach.
Application of a CNN to the Boda Claystone Formation for high-level radioactive waste disposal
Authors: Lovász Virág , Halász Amadé , Molnár Péter , Karsa Róbert , Halmai Ákos
Published: April 2023

Nations relying on nuclear power generation face great responsibilities when designing their firmly secured final repositories. In Hungary, the potential host rock [the Boda Claystone Formation (BCF)] of the deep geological repository is under extensive examination. To promote a deeper comprehension of potential radioactive isotope transport and ultimately synthesis for site evaluation purposes, we have efficiently tailored geospatial image processing using a convolutional neural network (CNN). We customized the CNN according to the intricate nature of the fracture geometries in the BCF, enabling the recognition process to be particularly sensitive to details and to interpret them in the correct tectonic context. Furthermore, we set the highest processing scale standards to measure the performance of our model, and the testing circumstances intentionally involved various technological and geological hindrances. Our presented model reached ~ 0.85 precision, ~ 0.89 recall, an ~ 0.87 F1 score, and a ~ 2° mean error regarding dip value extraction. With the combination of a CNN and geospatial methodology, we present the description, performance, and limits of a fully automated workflow for extracting BCF fractures and their dipping data from scanned cores.
Development of UPLC method for simultaneous assay of some COVID-19 drugs utilizing novel instrumental standard addition and factorial design
Authors: El-Shorbagy Hanan I. , Mohamed Mona A. , El-Gindy Alaa , Hadad Ghada M. , Belal Fathalla
Published: April 2023

A green, rapid, and simple RP-UPLC method was developed and optimized by full factorial design for the simultaneous separation of oseltamivir phosphate, daclatasivir dihydrochloride, and remdesivir, with dexamethasone as a co-administered drug. The separation was established on a UPLC column BEH C18 1.7 µm (2.1 × 100.0 mm) connected with a UPLC pre-column BEH 1.7 µm (2.1 × 5.0 mm) at 25 °C with an injection volume of 10 µL. The detector (PDA) was set at 239 nm. The mobile phase consisted of methanol and ammonium acetate (8.1818 mM) in a ratio of 75.7: 24.3 (v/v). The flow rate was set at 0.048 mL min−1. The overall separation time was 9.5 min. The retention times of oseltamivir phosphate, dexamethasone, daclatasivir dihydrochloride, and remdesivir were 6.323 ± 0.145, 7.166 ± 0.036, 8.078 ± 0.124, and 8.572 ± 0.166 min (eight replicates), respectively. The proposed method demonstrated linearity in the ranges of 10.0–500.0 (ng mL−1) and 0.5–30.0 (µg mL−1) for oseltamivir phosphate, 50.0–5000.0 (ng mL−1) for dexamethasone, 25.0–1000.0 (ng mL−1) and 0.5–25.0 (µg mL−1) for daclatasvir dihydrochlorde, and 10.0–500.0 (ng mL−1) and 0.5–30.0 (µg mL−1) for remdesivir. The coefficients of determination (R2) were greater than 0.9999, with percentage recoveries greater than 99.5% for each drug. The limits of quantitation were 6.4, 1.8, 7.8, and 1.6 ng mL−1, and the limits of detection were 1.9, 0.5, 2.0, and 0.5 ng mL−1 for oseltamivir phosphate, dexamethasone, daclatasivir dihydrochloride, and remdesivir, respectively. The proposed method was highly precise, as indicated by the low percentage of relative standard deviation values of less than 1.2% for each drug. The average content and uniformity of dosage units in the studied drugs' dosage forms were determined. The average contents of oseltamivir phosphate, dexamethasone, daclatasivir dihydrochloride, and remdesivir were nearly 93%, 102%, 99%, and 95%, respectively, while the uniformity of dosage unit values were nearly 92%, 102%, 101%, and 97%. Two novel methods were established in this work. The first method was used to assess the stability of standard solutions. This novel method was based on the slope of regression equations. The second was to evaluate the excipient's interference using an innovative instrumental standard addition method. The novel instrumental standard addition method was performed using the UPLC instrument program. It was more accurate, sensitive, time-saving, economical, and eco-friendly than the classic standard addition method. The results showed that the proposed method can estimate the tested drugs' concentrations without interference from their dosage form excipients. According to the Eco-score (more than 75), the Green Analytical Procedure Index (GAPI), and the AGREE criteria (total score of 0.77), the suggested method was considered eco-friendly.
Determination of chlorantraniliprole 18.5% SC in the paddy ecosystem and its risk assessment
Authors: Mahato Saraswati , Naik R. Harischandra , Bheemanna M. , Pallavi M. S. , Hurali Sujay , Rao Saroja Narsing , Naik M. Nagaraj , Paramsivam M.
Published: April 2023

Chlorantraniliprole belongsto theanthranilic diamide group is widely used against broad range of lepidopteron pests in a variety of vegetable and rice pests includingyellow rice stem borer and leaf folder. Supervised field trials were conducted duringRabi (2018–2019) and Kharif (2019) to evaluate the dissipation pattern and risk assessment of chlorantraniliprole 18.5% SC in paddy ecosystem following foliar application at 30 and 60 g a.i. ha-1 in two different cropping seasons.Modified QuEChERS (Quick, Easy, Cheap, Effective, Rugged and Safe) technique was used for the extraction of CAP residues with acetonitrile and determined by LC–MS/MS (ESI +).The limit of quantification (LOQ) was 0.01 µg g−1 for paddy leaf, straw, husk, and brown rice, respectively and 0.005 µg g−1 for soil. The average recoveries obtained were 84.30–88.92% from paddy leaf, 94.25–97.81% from straw, 90.21–93.38% from husk, 93.57–96.40% from brown rice and 89.93–91.14% from soil. The residues in paddy leaf dissipated within 35–40 days with a half-life of 4.33–5.07 days in Rabi and 3.92–4.86 days in Kharif at 30 and 60 g a.i. ha−1, respectively. The residues in soil dissipated within 15–21 days with a half-life of 14.44–15.75 days in Rabi and 13.33–14.44 days in Kharif at respective doses. At harvest chlorantraniliprole residues were not detected in straw, husk, and brown rice. The dietary risk of paddy leaf (green fodder) for cattle was found safe for consumption as the hazard index is less than one. Soil ecological risk assessment was found to be less than one (RQ < 0.1) for earthworms (Eisenia foetida) and arthropods (Aphidiusrhopalosiphi). The presentmethod could be useful inthe analysis ofchlorantraniliproleresidues in different cereals and vegetable crop ecosystems and application at recommended dose is safe for the final produce at harvest.
Spillover effects of competition outcome on future risky cooperation
Authors: Li Yansong , Liu Zhenliang , Wang Yuqian , Derrington Edmund , Moisan Frédéric , Dreher Jean-Claude
Published: April 2023

There is growing evidence that risky cooperation is regulated by the experience of previous interactions with others. However, it is unclear how the evaluation of outcomes from competitive interactions can affect individuals’ subsequent cooperative behavior. To address this issue, we examined how participants cooperated with a partner having just competed with them. While competing, participants (N = 164) were randomly assigned to receive one of four types of outcome feedback regarding their performance (victory vs. defeat vs. uncertain vs. no competition (control)). We found that both the experience of defeats and of uncertainty as competitive outcomes exerted a negative impact on the extent to which participants then engaged in cooperative behavior with their recent opponents. This only occurred when such subsequent cooperative behavior involved a high potential for incurring personal costs but not when there was no risk of incurring personal costs and a positive return. Finally, mediation analysis revealed that the effect of defeat was mediated by participants’ level of interpersonal trust and the extent to which participants were willing to cooperate, while the effect of the uncertain competitive outcome was mediated only by the extent to which participants were willing to cooperate. These findings offer novel insights into how risky cooperation is modulated by previous competition.
The spatial distribution of infectious agents in wild Pacific salmon along the British Columbia coast
Authors: Bass Arthur L. , Bateman Andrew W. , Kaukinen Karia H. , Li Shaorong , Ming Tobi , Patterson David A. , Hinch Scott G. , Miller Kristina M.
Published: April 2023

Although infectious agents can act as strong population regulators, knowledge of their spatial distributions in wild Pacific salmon is limited, especially in the marine environment. Characterizing pathogen distributions during early marine residence, a period considered a survival bottleneck for Pacific salmon, may reveal where salmon populations are exposed to potentially detrimental pathogens. Using high-throughput qPCR, we determined the prevalence of 56 infectious agents in 5719 Chinook, 2032 Coho and 4062 Sockeye salmon, sampled between 2008 and 2018, in their first year of marine residence along coastal Western Canada. We identified high prevalence clusters, which often shifted geographically with season, for most of the 41 detected agents. A high density of infection clusters was found in the Salish Sea along the east coast of Vancouver Island, an important migration route and residence area for many salmon populations, some experiencing chronically poor marine survival. Maps for each infectious agent taxa showing clusters across all host species are provided. Our novel documentation of salmon pathogen distributions in the marine environment contributes to the ecological knowledge regarding some lesser known pathogens, identifies salmon populations potentially impacted by specific pathogens, and pinpoints priority locations for future research and remediation.
Machine learning model to predict obesity using gut metabolite and brain microstructure data
Authors: Osadchiy Vadim , Bal Roshan , Mayer Emeran A. , Kunapuli Rama , Dong Tien , Vora Priten , Petrasek Danny , Liu Cathy , Stains Jean , Gupta Arpana
Published: April 2023

A growing body of preclinical and clinical literature suggests that brain-gut-microbiota interactions may contribute to obesity pathogenesis. In this study, we use a machine learning approach to leverage the enormous amount of microstructural neuroimaging and fecal metabolomic data to better understand key drivers of the obese compared to overweight phenotype. Our findings reveal that although gut-derived factors play a role in this distinction, it is primarily brain-directed changes that differentiate obese from overweight individuals. Of the key gut metabolites that emerged from our model, many are likely at least in part derived or influenced by the gut-microbiota, including some amino-acid derivatives. Remarkably, key regions outside of the central nervous system extended reward network emerged as important differentiators, suggesting a role for previously unexplored neural pathways in the pathogenesis of obesity.
Physics informed deep neural network embedded in a chemical transport model for the Amazon rainforest
Authors: Sharma Himanshu , Shrivastava Manish , Singh Balwinder
Published: April 2023

Secondary organic aerosols (SOA) are fine particles in the atmosphere, which interact with clouds, radiation and affect the Earth’s energy budget. SOA formation involves chemistry in gas phase, aqueous aerosols, and clouds. Simulating these chemical processes involve solving a stiff set of differential equations, which are computationally expensive steps for three-dimensional chemical transport models. Deep neural networks (DNNs) are universal function approximators that could be used to represent the complex nonlinear changes in aerosol physical and chemical processes; however, key challenges such as generalizability to extended time periods, preservation of mass balance, simulating sparse model outputs, and maintaining physical constraints have limited their use in atmospheric chemistry. Here, we develop an approach of using a physics-informed DNN that overcomes previous such challenges and demonstrates its applicability for the chemical formation processes of isoprene epoxydiol SOA (IEPOX-SOA) over the Amazon rainforest. The DNN is trained with data generated by simulating IEPOX-SOA over the entire atmospheric column, using the Weather Research and Forecasting Model coupled with Chemistry (WRF-Chem). The trained DNN is then embedded within WRF-Chem to replace the computationally expensive default solver of IEPOX-SOA formation. The trained DNN predictions generalizes well with the default model simulation of the IEPOX-SOA mass concentrations and its size distribution (20 size bins) over several days of simulations in both dry and wet seasons. The embedded DNN reduces the computational expense of WRF-Chem by a factor of 2. Our approach shows promise in terms of application to other computationally expensive chemistry solvers in climate models.
Predicting patient decompensation from continuous physiologic monitoring in the emergency department
Authors: Sundrani Sameer , Chen Julie , Jin Boyang Tom , Abad Zahra Shakeri Hossein , Rajpurkar Pranav , Kim David
Published: April 2023

Anticipation of clinical decompensation is essential for effective emergency and critical care. In this study, we develop a multimodal machine learning approach to predict the onset of new vital sign abnormalities (tachycardia, hypotension, hypoxia) in ED patients with normal initial vital signs. Our method combines standard triage data (vital signs, demographics, chief complaint) with features derived from a brief period of continuous physiologic monitoring, extracted via both conventional signal processing and transformer-based deep learning on ECG and PPG waveforms. We study 19,847 adult ED visits, divided into training (75%), validation (12.5%), and a chronologically sequential held-out test set (12.5%). The best-performing models use a combination of engineered and transformer-derived features, predicting in a 90-minute window new tachycardia with AUROC of 0.836 (95% CI, 0.800-0.870), new hypotension with AUROC 0.802 (95% CI, 0.747–0.856), and new hypoxia with AUROC 0.713 (95% CI, 0.680-0.745), in all cases significantly outperforming models using only standard triage data. Salient features include vital sign trends, PPG perfusion index, and ECG waveforms. This approach could improve the triage of apparently stable patients and be applied continuously for the prediction of near-term clinical deterioration.
Habit formation viewed as structural change in the behavioral network
Authors: Yamada Kota , Toda Koji
Published: April 2023

Habit formation is a process in which an action becomes involuntary. While goal-directed behavior is driven by its consequences, habits are elicited by a situation rather than its consequences. Existing theories have proposed that actions are controlled by corresponding two distinct systems. Although canonical theories based on such distinctions are starting to be challenged, there are a few theoretical frameworks that implement goal-directed behavior and habits within a single system. Here, we propose a novel theoretical framework by hypothesizing that behavior is a network composed of several responses. With this framework, we have shown that the transition of goal-directed actions to habits is caused by a change in a single network structure. Furthermore, we confirmed that the proposed network model behaves in a manner consistent with the existing experimental results reported in animal behavioral studies. Our results revealed that habit could be formed under the control of a single system rather than two distinct systems. By capturing the behavior as a single network change, this framework provides a new perspective on studying the structure of the behavior for experimental and theoretical research.
In situ micropillar compression of an anisotropic metal-organic framework single crystal
Authors: Zeng Zhixin , Xiao Yuan , Wheeler Jeffrey M. , Tan Jin-Chong
Published: April 2023

Understanding of the complex mechanical behavior of metal-organic frameworks (MOF) beyond their elastic limit will allow the design of real-world applications in chemical engineering, optoelectronics, energy conversion apparatus, and sensing devices. Through in situ compression of micropillars, the uniaxial stress-strain curves of a copper paddlewheel MOF (HKUST-1) were determined along two unique crystallographic directions, namely the (100) and (111) facets. We show strongly anisotropic elastic response where the ratio of the Young’s moduli are E(111) ≈ 3.6 × E(100), followed by extensive plastic flows. Likewise, the yield strengths are considerably different, in which Y(111) ≈ 2 × Y(100) because of the underlying framework anisotropy. We measure the fracture toughness using micropillar splitting. While in situ tests revealed differential cracking behavior, the resultant toughness values of the two facets are comparable, yielding Kc ~ 0.5 MPa$$\sqrt{{{{{{\rm{m}}}}}}}$$

m

. This work provides insights of porous framework ductility at the micron scale under compression and failure by bonds breakage.
Seasonality of methane and carbon dioxide emissions in tropical seagrass and unvegetated ecosystems
Authors: Saderne Vincent , Dunne Aislinn Francesca , Rich Walter Ambrose , Cadiz Ronald , Carvalho Susana , Cúrdia Joao , Kattan Alexander
Published: April 2023

Seagrass ecosystems are important carbon dioxide sinks that can sequester carbon for centuries as organic matter in sediment. They are also a major source of methane, a potent greenhouse gas, which limits their carbon sink capacity. However, data are lacking on their methane emission dynamics. Here, we conduct a one-year survey of carbon dioxide and methane concentrations and air-sea fluxes in Red Sea seagrass, mudflat, and coral backreef ecosystems. All ecosystems were sources of methane and carbon dioxide. Methane concentrations were lowest in the reef lagoon. We suggest that lagoons may be a globally important source of greenhouse gases. Methane concentrations were lower in seagrass than mudflat ecosystems at temperatures below 29.2 °C. Seagrass had the highest annual methane air-sea fluxes but the lowest global warming potential in carbon dioxide equivalent due to a decrease in its flux. Hence, seagrasses can help climate change mitigation compared to bare sediments.
Recurring summer and winter droughts from 4.2-3.97 thousand years ago in north India
Authors: Giesche Alena , Hodell David A. , Petrie Cameron A. , Haug Gerald H. , Adkins Jess F. , Plessen Birgit , Marwan Norbert , Bradbury Harold J. , Hartland Adam , French Amanda D. , Breitenbach Sebastian F. M.
Published: April 2023

The 4.2-kiloyear event has been described as a global megadrought that transformed multiple Bronze Age complex societies, including the Indus Civilization, located in a sensitive transition zone with a bimodal (summer and winter) rainfall regime. Here we reconstruct changes in summer and winter rainfall from trace elements and oxygen, carbon, and calcium isotopes of a speleothem from Dharamjali Cave in the Himalaya spanning 4.2–3.1 thousand years ago. We find a 230-year period of increased summer and winter drought frequency between 4.2 and 3.97 thousand years ago, with multi-decadal aridity events centered on 4.19, 4.11, and 4.02 thousand years ago. The sub-annually resolved record puts seasonal variability on a human decision-making timescale, and shows that repeated intensely dry periods spanned multiple generations. The record highlights the deficits in winter and summer rainfall during the urban phase of the Indus Civilization, which prompted adaptation through flexible, self-reliant, and drought-resistant agricultural strategies.
Lipid stores reveal the state of the coral-algae symbiosis at the single-cell level
Authors: Nielsen Daniel Aagren , Petrou Katherina
Published: April 2023

Coral reefs worldwide are threatened by environmental stress. The observable decline in coral cover, is principally due to the intensifying breakdown of the coral symbiosis, a process known as ‘bleaching’. Overproduction of reactive oxygen species (ROS) is considered a key driver of coral bleaching, where environmental stress leads to increased ROS expression. To explore the link between ROS damage and symbiont status, we measured lipid peroxidation (LPO), a ubiquitous form of ROS damage, in the lipid stores of individual endo- and ex-symbiotic algal cells of three coral species, using confocal microscopy and a lipid hydroperoxide sensitive fluorescent dye. We found LPO was higher in endosymbionts, while lipid volume was greater in ex-symbiotic cells. Cluster analysis revealed three metabolic profiles differentiating endosymbiotic (#1: high LPO, low lipid) and ex-symbiotic cells (#3: low LPO, high lipid), with the intermediate group (#2) containing both cell types. Heat stress caused endosymbionts of Pocillopora acuta to shift away from cluster #1, suggesting this cluster represents cells in healthy/stable symbiosis. Our study delivers a new means to assess the coral symbiosis, demonstrating that symbiont LPO ratio combined with lipid store volume is a robust metabolic marker for the state of the symbiosis at the cellular level.
Prioritization of COVID-19 risk factors in July 2020 and February 2021 in the UK
Authors: Tangirala Sivateja , Tierney Braden T. , Patel Chirag J.
Published: April 2023

Background

Risk for COVID-19 positivity and hospitalization due to diverse environmental and sociodemographic factors may change as the pandemic progresses.

Methods

We investigated the association of 360 exposures sampled before COVID-19 outcomes for participants in the UK Biobank, including 9268 and 38,837 non-overlapping participants, sampled at July 17, 2020 and February 2, 2021, respectively. The 360 exposures included clinical biomarkers (e.g., BMI), health indicators (e.g., doctor-diagnosed diabetes), and environmental/behavioral variables (e.g., air pollution) measured 10–14 years before the COVID-19 time periods.

Results

Here we show, for example, “participant having son and/or daughter in household” was associated with an increase in incidence from 20% to 32% (risk difference of 12%) between timepoints. Furthermore, we find age to be increasingly associated with COVID-19 positivity over time from Risk Ratio [RR] (per 10-year age increase) of 0.81 to 0.6 (hospitalization RR from 1.18 to 2.63, respectively).

Conclusions

Our data-driven approach demonstrates that time of pandemic plays a role in identifying risk factors associated with positivity and hospitalization.
Radiomic tumor phenotypes augment molecular profiling in predicting recurrence free survival after breast neoadjuvant chemotherapy
Authors: Chitalia Rhea , Miliotis Marios , Jahani Nariman , Tastsoglou Spyros , McDonald Elizabeth S. , Belenky Vivian , Cohen Eric A. , Newitt David , van’t Veer Laura J. , Esserman Laura , Hylton Nola , DeMichele Angela , Hatzigeorgiou Artemis , Kontos Despina
Published: April 2023

Background

Early changes in breast intratumor heterogeneity during neoadjuvant chemotherapy may reflect the tumor’s ability to adapt and evade treatment. We investigated the combination of precision medicine predictors of genomic and MRI data towards improved prediction of recurrence free survival (RFS).

Methods

A total of 100 women from the ACRIN 6657/I-SPY 1 trial were retrospectively analyzed. We estimated MammaPrint, PAM50 ROR-S, and p53 mutation scores from publicly available gene expression data and generated four, voxel-wise 3-D radiomic kinetic maps from DCE-MR images at both pre- and early-treatment time points. Within the primary lesion from each kinetic map, features of change in radiomic heterogeneity were summarized into 6 principal components.

Results

We identify two imaging phenotypes of change in intratumor heterogeneity (p < 0.01) demonstrating significant Kaplan-Meier curve separation (p < 0.001). Adding phenotypes to established prognostic factors, functional tumor volume (FTV), MammaPrint, PAM50, and p53 scores in a Cox regression model improves the concordance statistic for predicting RFS from 0.73 to 0.79 (p = 0.002).

Conclusions

These results demonstrate an important step in combining personalized molecular signatures and longitudinal imaging data towards improved prognosis.
Monitoring bacterial spore metabolic activity using heavy water-induced Raman peak evolution
Authors: Öberg Rasmus , Dahlberg Tobias , Malyshev Dmitry , Andersson Magnus
Published: April 2023

To detect and monitor bacterial spore germination and outgrowth into bacterial cells, we incubate bacterial spores with heavy water. By tracking the induced C–D Raman peak as the spore starts to metabolize water, we get an indication of whether germination has begun.
Energetics of formation and stability in high pressure steam of barium lanthanide cobaltite double perovskites
Authors: Mielewczyk-Gryń Aleksandra , Yang Shuhao , Balaguer Maria , Strandbakke Ragnar , Sørby Magnus H. , Szpunar Iga , Witkowska Agnieszka , Wachowski Sebastian , Serra Jose M. , Navrotsky Alexandra , Gazda Maria
Published: April 2023

This study concerns energetics of formation and the stability in high water partial pressure of BaLnCo2O6−δ, (Ln = La, Pr, Nd, and Gd) (BLnC) and BaGd1−xLaxCo2O6−δ, where x = 0.2, 0.5, and 0.7 (BGLC) double perovskite cobaltites.
Marginal zinc deficiency alters the heart proteome of rats
Authors: Sun Yongzhi , Chen Jianfeng , Wang Hongmei , Song Xinyu , Sun Zhaohui , Zhang Rui , Zhong Jiayi , Gu Xinxin , Wang Mengxu , Peng Chenghai , Wang Maoqing
Published: April 2023

Zinc deficiency is closely related to cardiovascular diseases (CVDs), but the effects of marginal zinc deficiency (MZD) after birth on the heart are unknown.
Associations between grain intake and hospitalized nephrolithiasis in Chinese adults: a case-control study
Authors: Shan Liping , Shi Jianxiu , Li Jia , Pan Chunyu , Xia Yang , Niu Kaijun , Li Zhenhua , Bai Song
Published: April 2023

Nephrolithiasis is one of the most common urological disorders.
Iminium substituent directs cyanide and hydride additions to triiron vinyliminium complexes
Authors: Schoch Silvia , Bresciani Giulio , Saviozzi Chiara , Funaioli Tiziana , Bortoluzzi Marco , Pampaloni Guido , Marchetti Fabio
Published: April 2023

In this study, a variety of new triiron complexes were obtained by nucleophilic additions to vinyliminium ligands bridging between a diiron core and a ferrocene skeleton, and the reaction outcomes were elucidated using DFT calculations.
Simple microfluidic device for simultaneous extraction and detection of microplastics in water using DC electrical signal
Authors: Zabihihesari Alireza , Khalili Arezoo , Farshchi-Heydari Mohammad-Javad , Eilaghi Armin , Rezai Pouya
Published: April 2023

DC electric field between two microwires in a straight microchannel was employed to electrophoretically accumulate and detect microplastics in water.
Use of a cross-linked polystyrene/titanium tetrachloride tightly bound coordination complex as catalyst for the production of petroleum resins
Authors: Rahmatpour Ali , Soleimani Parvaneh , Karamian Soroush , Dadvand Razieh
Published: April 2023

Immobilized titanium tetrachloride containing was demonstrated to be an effective and water-tolerant solid acid cationic initiator for the cationic polymerization of an industrial liquid pyrolysis gasoline feedstock.
Two discrete dimeric metal-chalcogenide supertetrahedral clusters
Authors: Wu Jin , Chen Ning , Wu Tao
Published: April 2023

Two discrete metal-chalcogenide supertetrahedral clusters with dimeric form were synthesized using the structure-directing effect of two organic amine templates.
Versatile organic photovoltaics with a power density of nearly 40 W g−1
Authors: Zheng Xiangjun , Zuo Lijian , Yan Kangrong , Shan Shiqi , Chen Tianyi , Ding Guanyu , Xu Bowei , Yang Xi , Hou Jianhui , Shi Minmin , Chen Hongzheng
Published: April 2023

Ultra-thin OPVs with record efficiency, the highest power density and tunable colors are demonstrated. The OPVs was fabricated on a 1.3 micro-meter substrate, and demonstrated a record efficiency of 17.32% and an excellent power density of 39.72 W g−1.
Refined molecular microstructure and optimized carrier management of multicomponent organic photovoltaics toward 19.3% certified efficiency
Authors: Li Shuixing , He Chengliang , Chen Tianyi , Zheng Jiale , Sun Rui , Fang Jin , Chen Yiyao , Pan Youwen , Yan Kangrong , Li Chang-Zhi , Shi Minmin , Zuo Lijian , Ma Chang-Qi , Min Jie , Liu Yujing , Chen Hongzheng
Published: April 2023

Molecular microstructure and carrier management were optimized and correlated, and double-channel recombination suppression enabled a record certified efficiency of 19.3% for asymmetric acceptor-based organic photovoltaics.
High-resolution rovibrational and rotational spectroscopy of the singly deuterated cyclopropenyl cation, c-C3H2D+
Authors: Gupta Divita , Silva Weslley G. D. P. , Doménech José L. , Plaar Eline , Thorwirth Sven , Schlemmer Stephan , Asvany Oskar
Published: April 2023

The first rovibrational (IR) and rotational (mm-wave) spectra are measured for c-C3H2D+, a potential detection target in interstellar space.
Prebiotics alleviate cartilage degradation and inflammation in post-traumatic osteoarthritic mice by modulating the gut barrier and fecal metabolomics
Authors: Mi Yilin , Yi Nanxing , Xu Xiaotong , Zeng Fan , Li Naping , Tan Xuyi , Gong Zhixian , Yan Ke , Kuang Gaoyan , Lu Min
Published: April 2023

Prebiotics can delay the progression of PTOA by regulating the metabolites of gut microbiota and protecting the gut barrier, which gives a new perspective for the application of prebiotics to PTOA.
Engineering a manganese-based oxide heterostructure cathode for high-performance aqueous potassium-ion storage
Authors: Guan Zheng , Wang Yunan , Zhang Mingyue , Liu Jie , Li Shuangwen , Guo Di , Liu Xiaoxia
Published: April 2023

A birnessite/spinel Mn3O4 heterostructure cathode presents superior stability at 91.7% capacity retention at 1 A g−1 after 2000 charge/discharge cycles. Such structure design provides sufficient heterointerfaces and active sites, which greatly facilitates the adsorption of K+.
Fluorescent 7-azaindoleN-linked 1,2,3-triazole: synthesis and study of antimicrobial, molecular docking, ADME and DFT properties
Authors: Sharma Kanika , Tittal Ram Kumar , Lal Kashmiri , Mathpati Ramling S. , D. Ghule Vikas
Published: April 2023

Two libraries of antimicrobial and fluorescent 7-azaindole N-linked benzyl/phenyl 1,2,3-triazole hybrids have been synthesized via Cu (II) catalyzed click reaction. Molecular docking, ADME, Molinspiration and DFT studies were also carried out.
AIE active cyanostilbenes for live-cell imaging of lipid droplets
Authors: Dahiwadkar Rahul , Rajput Deeksha , Singh Deepmala , Soppina Virupakshi , Kanvah Sriram
Published: April 2023

Trifluoromethyl-substituted fluorophores with naphthalene and julolidine groups were utilized imaging and quantifying lipid droplets in COS-7 cells.
Nickel-doped Co3O4 spinel nanospheres embedded in nitrogen-doped carbon composites derived from bimetallic NiCo metal–organic framework as a high-performance asymmetric supercapacitor
Authors: Silambarasan S. , Sivakumar Mani , Kumar K. Ram , Jiang Zhongqing , Maiyalagan T.
Published: April 2023

Nitrogen-doped porous carbon spheres (NCS) with NixCo3O4 composite were derived from a metal–organic framework through a heat treatment.
Graphene oxide promotes aggregation-induced emission in binary solvent mixtures
Authors: Pandit Souvik , Bhattacharjee Sanyukta , Seth Debabrata
Published: April 2023

Graphene oxide promotes aggregation-induced emission (AIE) in NaFlu molecules in binary solvent mixtures. This property of GO will be helpful to create novel GO nanocomposites for device and biosensor applications.
A π-stacked pure organic material with room temperature phosphorescence
Authors: Zhou Yunzhe , Deng Zhonghua , Ji Zhenyu , Zhang Ziqing , Chen Cheng , Wu Mingyan
Published: April 2023

We have designed and synthesized a π-stacked pure organic material (TPATA) with propeller-like A–(π-D)3 structure, which features intriguing photoluminescence properties and room temperature phosphorescence.
Dual-ligand-functionalized dodeca-nuclear lanthanide–tungsten-cluster incorporated selenotungstates and fluorescence detection of dipicolinic acid (an anthrax biomarker)
Authors: Gong Tiantian , Yang Sen , Wang Zixu , Li Mengyao , Zhang Siyu , Liu Jiancai , Chen Lijuan , Zhao Junwei
Published: April 2023

A series of rigid–flexible-ligand functionalized lanthanide incorporated ring-shaped selenotungstates were prepared, in which a europium-containing species was employed as a fluorescence sensor to detect an anthrax biomarker with good performance.
A covalent inhibitor targeting the papain-like protease from SARS-CoV-2 inhibits viral replication
Authors: Han Hesong , Gracia Albert Vallejo , Røise Joachim J. , Boike Lydia , Leon Kristoffer , Schulze-Gahmen Ursula , Stentzel Michael R. , Bajaj Teena , Chen Dake , Li I.-Che , He Maomao , Behrouzi Kamyar , Khodabakhshi Zahra , Nomura Daniel K. , Mofrad Mohammad R. K. , Kumar G. Renuka , Ott Melanie , Murthy Niren
Published: April 2023

Compound 1 is a covalent inhibitor of SARS-CoV-2 PLpro that inhibits viral replication and has low non-specific reactivity with thiols.