bluuebunny/crossref_metadata_2025 huggingface dataset:
Chemical Scissor Medicated Intercalation of NbS2 by Transition Metal for Electromagnetic Properties Tuning
Authors: Gao Lin , Li Mian , Wang Liming , Chen George Z. , Yang Hongxin , Hu Binjie , Huang Qing
Published: December 2023

Intercalation of layered materials offers an effective approach for tunning their structures and generating unprecedented properties. The multiple van der Waals (vdW) gap combined with long‐range ordering guests can change the interaction of layered host materials and electromagnetic field. Herein, a chemical‐scissor intercalation protocol medicated by molten salt is proposed for tailing the electromagnetic properties of transitional metal dichalcogenides (TMDCs). NbS2 is functional intercalated by heteroatoms (Fe, Co, Ni). The intercalated NbS2 with superlattice exhibit improved dielectric properties due to the reduced Brillouin zone size and the local electron distribution. Both the computational and experimental investigations indicate enhanced electron transport and additional polarized centers caused by intercalation. Overall, this work shows the great potential of structure editing of vdW materials, whilst intercalation via the chemical scissor in molten salts is considered a feasible intercalation strategy to further enrich their applications.
Small Molecule Additives to Suppress Bundling in Dimensional‐Limited Self‐Alignment Method for High‐Density Aligned Carbon Nanotube Array
Authors: Chao Tzu‐Ang , Chuu Chih‐Piao , Liew San‐Lin , Hu I‐Fan , Su Sheng‐Kai , Li Shengman , Lin Shih‐Chu , Hou Vincent D.‐H. , Wong H.‐S. Philip , Radu Iuliana , Chang Wen‐Hao , Pitner Gregory , Wang Han
Published: December 2023

Semiconducting single‐walled carbon nanotube (CNT) is a promising candidate as a channel material for advanced logic transistors, attributed to the ultra‐thin 1‐nm cylindrical geometry, high mobility, and high carrier injection velocity. However, the presence of undesired CNT bundles in the CNT arrays for wafer‐scale device fabrication, even when utilizing the state‐of‐the‐art dimension‐limited self‐alignment (DLSA) method, poses challenges. These CNT bundles degrade the transistor gate's efficiency in controlling the flow of charge carriers in the CNT channel, leading to pronounced device‐to‐device variability. Here, a novel method is introduced to alleviate bundling in CNT arrays assembled via DLSA, by involving small molecule additive to screen the attractive van der Waals force between neighboring CNTs during the DLSA process, resulting in over 50% reduction in CNT bundling. Furthermore, a pioneering methodology for quantifying CNT bundles is presented and employed experimentally to assess bundles in dense CNT arrays assembled by DLSA using transmission electron microscopy. Both experimental data and molecular dynamics simulation reveal that CNT bundling originates from van der Waals attraction between CNTs, and the disturbed liquid‐liquid interface by accumulating excess polar molecules. These findings illuminate new pathways for realizing dense, bundle‐free CNT arrays.
An Ultralow‐Cost, Durable, Flexible Substrate for Ultrabroadband Surface‐Enhanced Raman Spectroscopy
Authors: Kesava Rao V. , Tang Xuke , Sekine Yusuke , Egawa Mariko , Dwivedi Prabhat K. , Kitahama Yasutaka , Yang William , Goda Keisuke
Published: December 2023

Flexible devices have recently seen notable advancements for use in various areas. Surface‐enhanced Raman spectroscopy (SERS) has emerged as a transformative technology in this space. However, practical applications of flexible SERS substrates are often restricted to labs, hindered by challenges such as inconsistent reproducibility, limited scalability (<10 mm2), short lifespan (<1 day), narrowband response (<100 nm), and especially high costs (>10 dollars mm−2). Addressing these barriers, an ultralow‐cost (≈10 cents mm−2), highly durable, flexible substrate that boasts exceptional SERS performance is studied. This highly scalable, adhesive, ultrathin nanomesh, crafted from a 3D network of silver‐deposited PVA nanofibers, ensures a high density of hotspots and consistent measurements (<20% CV). Its protective PVA layer keeps the silver unoxidized for sustained usage (>1 month). Remarkably versatile, this substrate works across a range of excitation laser wavelengths in both the visible and near‐infrared regions, including 488, 532, 633, and 785 nm. Furthermore, the substrate has shown its efficacy in analyzing residual pesticides on fruits for food safety testing and human biofluids (sweat and urine) for health monitoring. This innovation paves the way for transitioning SERS applications from labs to industrial settings.
Photochemical Deoxygenative Hydroalkylation of Unactivated Alkenes Promoted by a Nucleophilic Organocatalyst
Authors: Majhi Jadab , Matsuo Bianca , Oh Hyunjung , Kim Saegun , Sharique Mohammed , Molander Gary A.
Published: December 2023

The direct utilization of simple and abundant feedstocks in carbon‐carbon bond‐forming reactions to embellish sp3‐enriched chemical space is highly desirable. Herein, we report a novel photochemical deoxygenative hydroalkylation of unactivated alkenes with readily available carboxylic acid derivatives. The reaction displays broad functional group tolerance, accommodating carboxylic acid‐, alcohol‐, ester‐, ketone‐, amide‐, silane‐, and boronic ester groups, as well as nitrile‐containing substrates. The reaction is operationally simple, mild, and water‐tolerant, and can be carried out on multigram‐scale, which highlights the utility of the method to prepare value‐added compounds in a practical and scalable manner. The synthetic application of the developed method is further exemplified through the synthesis of suberanilic acid, a precursor of vorinostat, a drug used for the treatment of cutaneous T‐cell lymphoma. A novel mechanistic approach was identified using thiol as a nucleophilic catalyst, which forms a key intermediate for this transformation. Furthermore, electrochemical studies, quantum yield, and mechanistic experiments were conducted to support a proposed catalytic cycle for the transformation.
Rhodium‐Catalyzed [3+2]‐Cycloaddition of in‐situ Generated Nitrile Ylides with Nitrosoarenes
Authors: Yao Wei‐Zhong , Cai Bao‐Gui , Xuan Jun
Published: December 2023

Herein we report the rhodium‐catalyzed one‐pot three‐component reaction of diazo compounds, nitriles, and nitrosoarenes to construct 2,5‐dihydro‐1,2,4‐oxadiazole derivatives. Mechanistic studies indicate that the transformation may proceed through the formation of nitrile ylides intermediates, which then undergo [3+2]‐cycloaddition with nitrosoarenes. The strategy exhibits several synthetic advantages, including operational simplicity, good functional group tolerance, and scalability.
Functional analysis and treatment of adult problem behavior: A review
Authors: Colombo Richard A. , Munoz Alexis , Wallace Michele , Legaspi David
Published: December 2023

Functional analysis (FA) methodology has been deemed the best practice in the field of applied behavior analysis. The data collected in an FA allows behavior analysts to develop the most effective and ethical behavior interventions. With the diagnosis for individuals with autism on the rise along with the forecast of adults who will need support, it may be time to take stock of the available literature. The purpose of this review was to evaluate the behavior analytic research over the last 25 years (1997–2022) on FA and treatment for adults who engage in severe problem behavior. Utilizing specific inclusion and exclusion criteria resulted in the identification of 28 articles. These articles were examined across participant characteristics, target behavior, FA type, FA settings, interventions, generalization, and maintenance. Implications on adult FA and treatment are discussed along with recommendations for practitioners who desire to support this population.
Idiopathic spinal cord herniation with postoperative paraplegia–A case report
Authors: Ifthekar Syed , Shin Sang‐Ha , Lee Sang‐Ho , Bae Junseok
Published: December 2023

Key clinical message

Spinal cord herniation is an uncommon diagnosis. There should be a high index of suspicion to diagnose spinal cord herniation when a patient presents with incomplete neurological deficits. Surgical repair of the hernia can have postoperative complications with new neurological deficits and they should be considered during the treatment.

A 37‐year‐old male presented with insidious onset upper back pain and altered sensations of pain and temperature over the right half of the body below the nipple for 2 months. MRI of the thoracic spine showed an anterolateral defect (left) at the level of T2‐T3 vertebra. The defect was covered by a dural graft and the wound was closed with a drain On the 3rd postoperative day, neurological weakness progressed to paraplegia. Patient was treated by exploration and decompression of the hematoma. The deficits were completely recovered at one‐month follow‐up. Patients with spinal cord herniation and neurologic deficits when treated timely have good outcomes.
Theoretical Insight into the Special Synergy of Bimetallic Site in Co/MoC Catalyst to Promote N2‐to‐NH3 Conversion
Authors: Fang Zhongpu , Liang Yingsi , Li Yanli , Ni Bilian , Zhu Jia , Li Yi , Huang Shuping , Lin Wei , Zhang Yongfan
Published: December 2023

The catalytic mechanisms of nitrogen reduction reaction (NRR) on the pristine and Co/α‐MoC(001) surfaces were explored by density functional theory calculations. The results show that the preferred pathway is that a direct N≡N cleavage occurs first, followed by continuous hydrogenations. The production of second NH3 molecule is identified as the rate‐limiting step on both systems with kinetic barriers of 1.5 and 2.0 eV, respectively, indicating that N2‐to‐NH3 transformation on bimetallic surface is more likely to occur. The two components of the bimetallic center play different roles during NRR process, in which Co atom does not directly participate in the binding of intermediates, but primarily serves as a reservoir of H atoms. This special synergy makes Co/α‐MoC(001) have superior activity for ammonia synthesis. The introduction of Co not only facilitates N2 dissociation, but also accelerates the migration of H atom due to the antibonding characteristic of Co−H bond. This study offers a facile strategy for the rational design and development of efficient catalysts for ammonia synthesis and other reactions involving the hydrogenation processes.
Structure‐Based Design of AG‐946, a Pyruvate Kinase Activator
Authors: Liu Tao , Padyana Anil K. , Judd Evan T. , Jin Lei , Hammoudeh Dalia , Kung Charles , Dang Lenny
Published: December 2023

Pyruvate kinase (PK) is the enzyme that catalyzes the conversion of phosphoenolpyruvate and adenosine diphosphate to pyruvate and adenosine triphosphate in glycolysis and plays a crucial role in regulating cell metabolism. We describe the structure‐based design of AG‐946, an activator of PK isoforms, including red blood cell‐specific forms of PK (PKR). This was designed to have a pseudo‐C2‐symmetry matching its allosteric binding site on the PK enzyme, which increased its potency toward PKR while reducing activity against off‐targets observed from the original scaffold. AG‐946 (1) demonstrated activation of human wild‐type PK (half‐maximal activation concentration [AC50]=0.005 μM) and a panel of mutated PK proteins (K410E [AC50=0.0043 μM] and R510Q [AC50=0.0069 μM]), (2) displayed a significantly longer half‐time of activation (>150‐fold) compared with 6‐(3‐methoxybenzyl)‐4‐methyl‐2‐(methylsulfinyl)‐4,6‐dihydro‐5H‐thieno[2′,3′:4,5]pyrrolo[2,3‐d]pyridazin‐5‐one, and (3) stabilized PKR R510Q, an unstable mutant PKR enzyme, and preserved its catalytic activity under increasingly denaturing conditions. As a potent, oral, small‐molecule allosteric activator of wild‐type and mutant PKR, AG‐946 was advanced to human clinical trials.
Groupoid Analysis of Pyroxenes
Authors: Nespolo Massimo , Stoeger Berthold
Published: December 2023

The structure and space‐group symmetry of modular structures can be obtained from the knowledge of the structure and subperiodic symmetry of the modules and of the structure‐building operations. This leads to a space groupoid, which contains all the partial operations relating any pairs of modules. Those partial operations that possess a continuation in the whole crystal space are global operations that show up in the space group of the structure. The whole procedure is presented through the example of pyroxenes. The modular structure of these minerals has already been analyzed in the past, but the groupoid construction has only been synthetically described. In this paper, the full step‐by‐step process is presented, which is largely unknown in the crystallographic community.
Using a digital tool to detect early changes in everyday functioning in older adults: A pilot study of the Assessment of Smartphone Everyday Tasks (ASSET)
Authors: Dubbelman Mark A. , Hall Tia C. , Levesque Isabella M. , Mimmack Kayden J. , Sikkes Sietske A. M. , Fischer Shira H. , Rentz Dorene M. , Sperling Reisa A. , Papp Kathryn V. , Amariglio Rebecca E. , Marshall Gad A.
Published: December 2023

INTRODUCTION

To investigate the utility of a new digital tool for measuring everyday functioning in preclinical Alzheimer's disease, we piloted the Assessment of Smartphone Everyday Tasks (ASSET) application.

METHODS

Forty‐six participants (50.3 ± 27.1 years; 67% female; 20 young unimpaired, 17 old unimpaired, 9 mildly cognitively impaired) completed ASSET 7 times. ASSET comprises two main tasks, simulating a Patient Portal and a Calendar. We assessed ASSET's internal consistency, test–retest reliability, and user experience.

RESULTS

ASSET main tasks correlated with each other (r = 0.75, 95% confidence interval [CI] = [0.58, 0.86]). Performance on ASSET's Patient Portal related to cognition (r = 0.64, 95% CI = [0.42, 0.79]) and observer ratings of everyday functioning (r = 0.57, 95% CI = [0.24, 0.79]). Test–retest reliability was good (intraclass correlation coefficient = 0.87, 95% CI = [0.77, 0.93]). Most participants rated their experience with ASSET neutrally or positively.

DISCUSSION

ASSET is a promising smartphone‐based digital assessment of everyday functioning. Future studies may investigate its utility for early diagnosis and evaluation of treatment of Alzheimer's disease.
LKB1 and CRMP1 cooperatively promote the repair of the sciatic nerve injury
Authors: Liu Yang , Xu You‐jia
Published: December 2023

After peripheral nervous system injury, Schwann cells (SCs) can repair axons by providing a growth‐promoting microenvironment. The aim of this study is to explore the effects and mechanisms of LKB1 and CRMP1 on the repair of sciatic nerve injury (SNI). The expressions of LKB1 and CRMP1 were changed in rats with SNI from 12 h to 4 weeks by hematoxylin–eosin staining, RT‐PCR assay, immunohistochemical staining, and western blotting. Immunofluorescence results show that LKB1 and CRMP1 are co‐localized in the regenerated axons of the sciatic nerve tissue of SNI rats. Co‐immunoprecipitation indicates that LKB1 interacts with CRMP1. LKB1 interference suppresses the phosphorylation level of CRMP1. Overexpression of LKB1 and CRMP1 promotes the invasion and migration of SCs, and nerve cell protuberance extends. The structure of the myelin sheath in the sciatic nerve of the model group was found to be loose and disordered. Rats in the model group had higher pain thresholds and heat sensitivity response times than those in the control group. Nerve conduction velocity, the latency of action potential, and the peak value of compound muscle action potential in the SNI group were significantly lower than those in the control group, and the muscle atrophy was severe. Overexpression of LKB1 may significantly improve the above conditions. However, the function of LKB1 to improve SNI is abolished by the interference of CRMP1. In summary, the interaction between LKB1 and CRMP promotes the migration and differentiation of SCs and the extension of neurons, thereby improving the repair of nerve injury.
Association between engagement with appearance and eating related TikTok content and eating disorder symptoms via recommended content and appearance comparisons
Authors: Dondzilo Laura , Rodgers Rachel F. , Dietel Fanny Alexandra
Published: December 2023

Objective

It is well‐established that the use of appearance‐focused social media is associated with eating disorder (ED) symptoms, due to the presence of idealized imagery. Of concern, social media exposure is increasingly influenced by algorithms, which recommend content based on an analysis of the users' previous patterns of engagement. However, the relationships between users' engagement with social media content based upon its centering of appearance and eating, the presence of these themes in content suggested to them, and their ED symptoms remains unknown. The current study aimed to examine these relationships in the context of TikTok, a video‐ and algorithm‐based platform.

Method

Undergraduate students (N = 230; 78% female) completed self‐report measures of ED symptoms, upwards social media appearance comparisons, as well as a novel measure of TikTok activity.

Results

Serial mediation analyses provided support for indirect relationships between engagement with appearance/eating‐related content and ED symptoms via higher proportions of appearance/eating‐related recommended content and higher levels of upwards social media appearance comparisons, respectively. There was no association between average screen time, nor general tendency to actively engage with content, and either ED symptoms or upwards social media appearance comparisons.

Discussion

Findings provide preliminary support for how engagement on TikTok is related to targeted exposure in ways that may contribute to perpetuating and exacerbating ED symptoms.

Public significance

Social media use has been consistently associated with greater eating disorder symptoms. However, the ways in which users' engagement with social media content may be related to targeted social media exposure, and in turn eating disorder symptoms, remains unknown. This research provided preliminary evidence for associations between users' engagement with, and targeted exposure to, TikTok content related to appearance and eating, and their eating disorder symptoms.
Seasonal dynamics in the mammalian microbiome between disparate environments
Authors: Stothart Mason R. , Spina Hayley A. , Hotchkiss Michelle Z. , Ko Winnie , Newman Amy E. M.
Published: December 2023

Host‐associated bacterial microbiomes can facilitate host acclimation to seasonal environmental change and are hypothesized to help hosts cope with recent anthropogenic environmental perturbations (e.g., landscape modification). However, it is unclear how recurrent and recent forms of environmental change interact to shape variation in the microbiome. The majority of wildlife microbiome research occurs within a single seasonal context. Meanwhile, the few studies of seasonal variation in the microbiome often restrict focus to a single environmental context. By sampling urban and exurban eastern grey squirrel populations in the spring, summer, autumn, and winter, we explored whether seasonal rhythms in the grey squirrel gut microbiome differed across environments using a 16S amplicon sequencing approach. Differences in the microbiome between urban and exurban squirrels persisted across most of the year, which we hypothesize is linked to anthropogenic food consumption, but we also observed similarities in the urban and exurban grey squirrel microbiome during the autumn, which we attribute to engrained seed caching instincts in preparation for the winter. Host behaviour and diet selection may therefore be capable of maintaining similarities in microbiome structure between disparate environments. However, the depletion of an obligate host mucin glycan specialist (Akkermansia) during the winter in both urban and exurban squirrels was among the strongest differential abundance patterns we observed. In summary, urban grey squirrels showed different seasonal patterns in their microbiome than squirrels from exurban forests; however, in some instances, host behaviour and physiological responses might be capable of maintaining similar microbiome responses across seasons.
Effects of low crystallinity cerium oxide on ammonia synthesis activity for cerium oxide supported ruthenium catalyst
Authors: Kobayashi Keisuke , Manaka Yuichi , Nanba Tetsuya
Published: December 2023

Ruthenium (Ru) catalysts supported on cerium oxide (CeO2), which was composed of high crystallinity (HC) CeO2 covered by low crystallinity (LC) CeO2 were investigated. The ammonia synthesis activities of a series of Ru/CeO2(LC)/CeO2(HC), having different LC/HC ratios were evaluated, and various characterizations, such as N2 adsorption, X‐ray diffraction, hydrogen temperature‐programmed reduction (H2‐TPR), and hydrogen temperature‐programmed desorption (H2‐TPD), were performed. Ru/CeO2(LC)/CeO2(HC) (0.1) demonstrated higher activity. H2‐TPR revealed that H2 consumption increased as the LC/HC ratio increased. This indicates that the larger the amount of low crystallinity CeO2, the higher the reducibility. However, the results of H2‐TPD imply that the larger the amount of low crystallinity CeO2, the higher the interaction between adsorbed H2 and the catalyst surface. These results indicate that the balance of reducibility and hydrogen adsorption strength plays an important role in increasing the ammonia synthesis activity.
ENSO sentinels in the Americas' humid tropics: We need combined hydrometric and isotopic monitoring for improved El Niño and La Niña impact prediction
Authors: Sánchez‐Murillo R. , Birkel C. , Boll J. , Esquivel‐Hernández G. , Rojas‐Jiménez L. D. , Castro‐Chacón L. , Durán‐Quesada A. M. , Voarintsoa N. R. G. , Dee S. G. , Winguth A. M. E.
Published: December 2023

This Scientific Briefing presents results from a nearly 10‐year hydrometric and isotope monitoring network across north‐central Costa Rica, a region known as a headwater‐dependent system. This monitoring system has recorded different El Niño and La Niña events and the direct/indirect effects of several hurricane and tropical storm passages. Our results show that El Niño‐Southern Oscillation (ENSO) exerts a significant but predictable impact on rainfall amount anomalies, groundwater level and spring discharge, as evidenced by second‐order water isotope parameters (e.g., line conditioned‐excess or line‐conditioned (LC)‐excess). Sea surface temperature anomaly (El Niño Region 3) is correlated with a reduction in mean annual and cold front rainfall across the headwaters of north‐central Costa Rica. During El Niño conditions, rainfall is substantially reduced (up to 69.2%) during the critical cold fronts period, limiting groundwater recharge and promoting an early onset of minimum baseflow conditions (up to 5 months). In contrast, La Niña is associated with increased rainfall and groundwater recharge (up to 94.7% during active cold front periods). During La Niña, the long‐term mean spring discharge (39 Ls−1) is exceeded 63–80% of the time, whereas, during El Niño, the exceedance time ranges between 26% and 44%. The regional hydroclimatic variability is also imprinted on the hydrogen and oxygen isotopic compositions of meteoric waters. Drier conditions favoured lower LC‐excess in rainfall (−17.3‰) and spring water (−6.5‰), whereas wetter conditions resulted in greater values (rainfall = +17.5‰; spring water = +10.7‰). The lower and higher LC‐excess values in rainfall corresponded to the very strong 2014–2016 El Niño and 2018 La Niña, respectively. During the recent triple‐dip 2021–23 La Niña, LC‐excess exhibited a significant and consistently increasing trend. These findings highlight the importance of combining hydrometric, synoptic and isotopic monitoring as ENSO sentinels to advance our current understanding of ENSO impacts on hydrological systems across the humid Tropics. Such information is critical to constraining the 21st century projections of future water stress across this fragile region.
Identification and estimation of hydrological contributions in a mixed land‐use catchment based on a simple biogeochemical and hydro‐meteorological dataset
Authors: Grandjouan Olivier , Branger Flora , Masson Matthieu , Cournoyer Benoit , Coquery Marina
Published: December 2023

Water pathways and water contamination in mixed land‐use catchments are complex to understand. Runoff‐generating sources can be numerous and water pathways modified by anthropogenic elements. Monitoring surveys considering geochemical and microbial parameters, are often carried out on such catchment, but are often simple in terms of studied parameters. Nonetheless, they can be helpful to identify the specific signatures of the main runoff‐generating sources and estimate their contribution to total runoff at the outlet of mixed land‐use catchments. Based on a monthly biogeochemical monitoring program conducted between 2017 and 2019 in the Ratier catchment (19.8 km2) near Lyon (France), a step‐by‐step approach was developed to: (1) identify the main runoff‐generating sources using a perceptual model of the Ratier catchment, (2) identify the respective biogeochemical signatures of each source using this biogeochemical dataset and hydro‐meteorological indicators and (3) estimate their contribution to the stream total runoff using an End‐Member Mixing Analysis method. We identified three main runoff‐generating sources outside of rainy periods: a colluvium aquifer, a fractured gneiss aquifer and a saprolite layer. The monitored geochemical datasets were found divided into three groups matching these sources. Contributions of these sources were estimated based on representative tracer concentrations. Microbial parameters showed a homogeneous agricultural and anthropogenic contamination among the catchment surface water, but also deeper into the fractured gneiss groundwater. This approach showed the potential of using simple monitoring datasets to identify runoff‐generating sources and estimate their contribution to total runoff.
The importance of explicitly representing the streambed in watershed models
Authors: Shuai Pin , Jiang Peishi , Coon Ethan T. , Chen Xingyuan
Published: December 2023

The streambed is the critical interface between the aquatic and terrestrial systems and hosts important biogeochemical hot spots within river corridors. Although the streambed characteristics are significantly different from those of its surrounding soil, the streambed itself has not been explicitly represented in watershed models. Here, we explicitly incorporated a streambed layer into an integrated hydrologic model through model parameterization and discretization. We examined the hydrological effects of streambed characteristics, including hydraulic conductivity (K), layer thickness, and resolution, on the exchange fluxes across the streambed as well as the streamflow at the watershed outlet. The numerical experiments were performed in the American River Watershed, a headwater, mountainous watershed within the Yakima River Basin in central Washington. Despite having a negligible effect on the watershed streamflow, an explicit representation of the streambed with distinctive properties dramatically changed the magnitude and variability of the exchange flux. In general, a larger streambed K along with a thicker streambed layer induced larger exchange fluxes. The exchange flux was most sensitive to the streambed resolution. A finer streambed resolution increased exchange fluxes per unit area while reducing the overall exchange volumes across the entire streambed. The amount of baseflow decreased by 6% as the streambed resolution increased from 250 to 50 m. This finding is important because these hydrological changes may, in turn, affect the exchange of nutrients and contaminants between surface water and groundwater and the associated biogeochemical processes. Our work demonstrated the importance of representing streambeds in fully distributed, process‐based watershed models to better capture the exchange flow dynamics in river corridors.
Hydrological simulation of ungauged basins via forcing by large‐scale hydrology models
Authors: Skoulikaris Charalampos , Piliouras Michael
Published: December 2023

The established watershed's hydrologic simulation process, involving the calibration and validation of a model through spatiotemporal streamflow observations, has recently been adapted to encompass ungauged watersheds. The research introduces a methodology for simulating ungauged hydrosystems, suggesting the calibration and validation of regional rainfall‐runoff models using large‐scale hydrological models (LSMs) in the absence of in situ streamflow measurements. For doing so, LSM's 30‐years simulated discharges at various basins and subbasins of the case study River Basin District are assessed for their accuracy against the limited available observations. Subsequently, the rectified time series tunes the optimal parametrization of a regional lumped hydrologic model that is triggered by precipitation and temperature data from a partially dense meteorological network. The validated regional model is then applied in selective ungauged neighbouring subbasins employing the regionalization concept used in LSMs, that is in basins with similar physiographic characteristics to those where the regional model was set up. The performance of the research is assessed using statistical metrics. In cases where observations are available, the results show very satisfactory indexes (e.g., coefficient of determination: 0.654 < R2 < 0.949, Kling‐Gupta efficiency: 0.759 < KGE <0.790, Nash–Sutcliffe efficiency: 0.649 < NSE <0.745 for all the cases). In completely ungauged basins and in an order of magnitude index, the comparison of the simulated discharges with those from the LSM also indicates the satisfactory performance of the proposed approach. To sum up, the methodology underscores the alternate use of large and regional scale hydrological modelling coupling as an asset across various basin scales globally, offering reliable water quantity information.
Assessing patient burden and benefit: A decade of cabozantinib clinical trials
Authors: Hughes Griffin K. , Sajjadi Nicholas B. , Gardner Brooke , Ramoin Joshua K. , Tuia Jordan , Haslam Alyson , Prasad Vinay , Vassar Matt
Published: December 2023

Drug development is complex and costly. Clinical trial participants take on risks, making it essential to maximize trial efficiency and maintain participant safety. Identifying periods of excessive burden during drug development can inform trial design, ensure patient benefit and prevent harm. This study aims to examine all published clinical trials for cabozantinib to assess patient benefit and burden over time. We conducted a retrospective cross‐sectional review of interventional clinical trials of cabozantinib for solid cancer treatment. We searched PubMed/MEDLINE, Embase, Cochrane (CENTRAL) and ClinicalTrials.gov. We extracted adverse event rates, median progression‐free survival (PFS), median overall survival and objective response rate (ORR) for each included trial. We calculated frequencies of trial characteristics, cumulative grade 3–5 adverse event rates and cumulative ORRs. Out of 1735 studies, 54 publications were included that involved 6372 participants and 21 cancers. Of the 54 studies in our sample, 31 (57.41%) were single‐arm trials and 23 (42.60%) had negative results. Trials among and within various indications had conflicting results over time. Cumulative risk to participants increased over time, and clinical benefit decreased. The findings suggest that the risk profile of cabozantinib increased from 2011 to 2016 and has remained elevated but stable while benefit has decreased over time. The use of non‐randomized and single‐arm trials is concerning, and more methodologically rigorous trials are needed. The results of trials for different indications are inconsistent, and empirical administration may reduce the drug's efficacy.
Infectious pathogens and risk of esophageal, gastric and duodenal cancers and ulcers in China: A case‐cohort study
Authors: Kartsonaki Christiana , Yao Pang , Butt Julia , Jeske Rima , de Martel Catherine , Plummer Martyn , Sun Dianjianyi , Clark Sarah , Walters Robin G. , Chen Yiping , Lv Jun , Yu Canqing , Hill Michael , Peto Richard , Li Liming , Waterboer Tim , Chen Zhengming , Millwood Iona Y. , Yang Ling
Published: December 2023

Infection by certain pathogens is associated with cancer development. We conducted a case‐cohort study of ~2500 incident cases of esophageal, gastric and duodenal cancer, and gastric and duodenal ulcer and a randomly selected subcohort of ~2000 individuals within the China Kadoorie Biobank study of >0.5 million adults. We used a bead‐based multiplex serology assay to measure antibodies against 19 pathogens (total 43 antigens) in baseline plasma samples. Associations between pathogens and antigen‐specific antibodies with risks of site‐specific cancers and ulcers were assessed using Cox regression fitted using the Prentice pseudo‐partial likelihood. Seroprevalence varied for different pathogens, from 0.7% for Hepatitis C virus (HCV) to 99.8% for Epstein–Barr virus (EBV) in the subcohort. Compared to participants seronegative for the corresponding pathogen, Helicobacter pylori seropositivity was associated with a higher risk of non‐cardia (adjusted hazard ratio [HR] 2.73 [95% CI: 2.09–3.58]) and cardia (1.67 [1.18–2.38]) gastric cancer and duodenal ulcer (2.71 [1.79–4.08]). HCV was associated with a higher risk of duodenal cancer (6.23 [1.52–25.62]) and Hepatitis B virus was associated with higher risk of duodenal ulcer (1.46 [1.04–2.05]). There were some associations of antibodies again some herpesviruses and human papillomaviruses with risks of gastrointestinal cancers and ulcers but these should be interpreted with caution. This first study of multiple pathogens with risk of gastrointestinal cancers and ulcers demonstrated that several pathogens are associated with risks of gastrointestinal cancers and ulcers. This will inform future investigations into the role of infection in the etiology of these diseases.
Study on diagnosing thyroid nodules of ACR TI‐RADS 4–5 with multimodal ultrasound radiomics technology
Authors: Wang Si‐Rui , Zhu Pei‐Shan , Li Jun , Chen Ming , Cao Chun‐Li , Shi Li‐Nan , Li Wen‐Xiao
Published: December 2023

Background

Explore the feasibility of using the multimodal ultrasound (US) radiomics technology to diagnose American College of Radiology (ACR) Thyroid Imaging Reporting and Data System (TI‐RADS) 4–5 thyroid nodules.

Method

This study prospectively collected the clinical characteristics, conventional, and US elastography images of 100 patients diagnosed with ACR TI‐RADS 4–5 nodules from May 2022 to 2023. Independent risk factors for malignant thyroid nodules were extracted and screened using methods such as the least absolute shrinkage and selection operator (LASSO) logistic regression (LR) model, and a multimodal US radiomics combined diagnostic model was established. Using a multifactorial LR analysis and a Rad‐score rating, the predictive performance was validated and evaluated, and the final threshold range was determined to assess the clinical net benefit of the model.

Results

In the training set, the US radiomics combined predictive model area under curve (AUC = 0.928) had higher diagnostic performance compared with clinical characteristics (AUC = 0.779), conventional US (AUC = 0.794), and US elastography model (AUC = 0.852). In the validation set, the multimodal US radiomics combined diagnostic model (AUC = 0.829) also had higher diagnostic performance compared with clinical characteristics (AUC = 0.799), conventional US (AUC = 0.802), and US elastography model (AUC = 0.718).

Conclusion

Multi‐modal US radiomics technology can effectively diagnose thyroid nodules of ACR TI‐RADS 4–5, and the combination of radiomics signature and conventional US features can further improve the diagnostic performance.
Optimal linear‐Vizing relationships for (total) domination in graphs
Authors: Henning Michael A. , Horn Paul
Published: December 2023

A total dominating set in a graph is a set of vertices of such that every vertex is adjacent to a vertex of the set. The total domination number is the minimum cardinality of a total dominating set in . In this paper, we study the following open problem posed by Yeo. For each , find the smallest value, , such that every connected graph of order at least 3, of order , size , total domination number , and bounded maximum degree , satisfies . Henning showed that for all . Yeo significantly improved this result and showed that for all , and posed as an open problem to determine “whether grows proportionally with or or some completely different function.” In this paper, we determine the growth of , and show that is asymptotically and likewise determine the asymptotics of the analogous constant for standard domination.
Does Caplacizumab for the management of thrombotic thrombocytopenic purpura increase the risk of relapse, exacerbation, and bleeding? An updated systematic review and meta‐analysis based on revised criteria by the International Working Group for thrombotic thrombocytopenic purpura
Authors: Neupane Niraj , Thapa Sangharsha , Mahmoud Amir , Bhattarai Abhinav , KC Anil , Shikhrakar Shreeja , Gurusinghe Sayuri , Kuiodes Peter
Published: December 2023

Thrombotic thrombocytopenic purpura (TTP) is a rare and life‐threatening condition marked by abnormal blood clotting and organ damage. Caplacizumab is a potential treatment for the TTP management. This systematic review and meta‐analysis aimed to assess Caplacizumab's effectiveness and safety in the TTP management. A comprehensive database search identified nine studies, including randomized controlled trials and observational studies. Primary outcomes included TTP exacerbation, relapse, and major bleeding. Major bleeding risk was evaluated using updated definitions recommended by the International TTP Working Group in 2021. Revised criteria proposed by the IWG for TTP recurrence were employed for a comprehensive assessment of Caplacizumab's impact on relapse and exacerbation. Analysis revealed Caplacizumab significantly reduced all‐cause mortality in TTP patients. Some studies raised concerns about bleeding risk, but overall, it did not significantly differ from standard treatment. Likewise, there was no significant difference in TTP relapse rates between Caplacizumab and standard care. This study supports Caplacizumab as a potential adjunct therapy for TTP. However, careful consideration of its advantages and risks is crucial in clinical practice. Further research is needed to address concerns related to adverse effects like bleeding risk and relapse rates associated with Caplacizumab in the TTP management. The findings emphasize the importance of weighing potential benefits and risks when considering Caplacizumab as an adjunct therapy for TTP.
Outpatient randomized controlled trials to reduce COVID‐19 hospitalization: Systematic review and meta‐analysis
Authors: Sullivan David J. , Focosi Daniele , Hanley Daniel F. , Cruciani Mario , Franchini Massimo , Ou Jiangda , Casadevall Arturo , Paneth Nigel
Published: December 2023

This COVID‐19 outpatient randomized controlled trials (RCTs) systematic review compares hospitalization outcomes amongst four treatment classes over pandemic period, geography, variants, and vaccine status. Outpatient RCTs with hospitalization endpoint were identified in Pubmed searches through May 2023, excluding RCTs <30 participants (PROSPERO‐CRD42022369181). Risk of bias was extracted from COVID‐19‐NMA, with odds ratio utilized for pooled comparison. Searches identified 281 studies with 61 published RCTs for 33 diverse interventions analyzed. RCTs were largely unvaccinated cohorts with at least one COVID‐19 hospitalization risk factor. Grouping by class, monoclonal antibodies (mAbs) (OR = 0.31 [95% CI = 0.24−0.40]) had highest hospital reduction efficacy, followed by COVID‐19 convalescent plasma (CCP) (OR = 0.69 [95% CI = 0.53−0.90]), small molecule antivirals (OR = 0.78 [95% CI = 0.48−1.33]), and repurposed drugs (OR = 0.82 [95% CI: 0.72−0.93]). Earlier in disease onset interventions performed better than later. This meta‐analysis allows approximate head‐to‐head comparisons of diverse outpatient interventions. Omicron sublineages (XBB and BQ.1.1) are resistant to mAbs Despite trial heterogeneity, this pooled comparison by intervention class indicated oral antivirals are the preferred outpatient treatment where available, but intravenous interventions from convalescent plasma to remdesivir are also effective and necessary in constrained medical resource settings or for acute and chronic COVID‐19 in the immunocompromised.
The platelet‐to‐lymphocyte ratio is a complementary prognostic factor to tumor markers in predicting early recurrence of hepatocellular carcinoma after hepatectomy
Authors: Hosoda Kiyotaka , Umemura Kentaro , Shimizu Akira , Kubota Koji , Notake Tsuyoshi , Kitagawa Noriyuki , Sakai Hiroki , Hayashi Hikaru , Yasukawa Koya , Soejima Yuji
Published: December 2023

Background

The usefulness of inflammation‐based prognostic scores for early recurrence (ER) after hepatectomy for hepatocellular carcinoma has rarely been reported. This study aimed to evaluate the potential of inflammation‐based prognostic scores as predictors of ER and their relationship with tumor markers.

Methods

We enrolled 338 patients who underwent hepatectomy for hepatocellular carcinoma between January 2007 and December 2021. Clinicopathological factors were compared between patients who developed ER (ER group) and those who did not develop ER (non‐ER group). The association between inflammation‐based prognostic scores and ER status was evaluated. These scores were compared with those of well‐established tumor markers.

Results

The platelet‐to‐lymphocyte ratio (PLR) correlated with ER of hepatocellular carcinoma, with an area under the curve (AUC) value of 0.70, sensitivity of 68.1%, and specificity of 67.7%. In patients with low tumor marker levels, the PLR showed a strong correlation with ER of hepatocellular carcinoma, with an AUC value of 0.851, sensitivity of 100%, and specificity of 76.2%. Multivariate analysis revealed that the PLR was an independent prognostic factor for ER.

Conclusions

The PLR is useful and complementary to tumor markers for predicting ER after hepatectomy for hepatocellular carcinoma.
Metal–Organic Framework‐Assisted Rational Design of Multicolor Solid‐State Fluorescent Carbon Nanodots and Its Application for LEDs
Authors: Li Jiurong , Zheng Shuyang , Zhang Shiwei , Gong Xiao
Published: December 2023

Carbon nanodots (CDs) are a new type of carbon‐based fluorescent nanomaterials, but they are limited in many applications due to the inherent fluorescence weakening and quenching problems suffered in solid state. Herein, ZIF‐8, a class of metal–organic framework (MOF) is employed as a matrix to immobilize fluorescent CDs, resulting in the strong luminescence of CDs achieved in solid state. The as‐synthesized CDs@ZIF‐8 fluorescent powders possess blue, green, and red emissions with the main emission at ≈495, 528, and 600 nm, and the corresponding photoluminescence quantum yields (PLQYs) are as high as 25.89%, 52.24%, and 15.42%, respectively. It is found that the encapsulation of ZIF‐8 with CDs will increase the excitation dependence of the product fluorescence, which may be attributed to the carrier effect of ZIF‐8 as a carrier of CDs and some surface defects or surface functional groups change of the CDs introduced by ZIF‐8. In addition, the encapsulation of CDs with ZIF‐8 may result in the charge transfer. Importantly, the prepared CDs@ZIF‐8 phosphors present a promising application in the fabrication of monochromatic light‐emitting diodes (LEDs). The synthesis design is expected to provide technical support for future solid‐state fluorescent CDs preparation and applications.
Corneal wound healing following infrared laser irradiation at the wavelengths of 1.319 and 10.6 μm
Authors: Zhou Congling , Yin Yixue , Wang Jiarui , Ren Ziqi , Jiao Luguang , Zhong Li , Yang Zaifu
Published: December 2023

Objectives

To investigate the wound healing of rabbit cornea following infrared laser irradiations at the wavelengths of 1.319 and 10.6 μm.

Materials and Methods

Twelve New Zealand rabbits were selected to establish a corneal injury model. The right and left eyes were irradiated with a neodymium‐doped yttrium aluminum garnet laser at the wavelength of 1.319 μm (140 J/cm2) for 0.7 s and a CO2 laser at the wavelength of 10.6 μm (5.94 J/cm2) for 0.14 s, respectively. The incident spot diameter was 3 mm. Optical coherence tomography (OCT) was used to monitor injuries at 0 h, 0.5 h, 1 h, 3 h, 6 h, 12 h, 18 h, 24 h, 30 h, 36 h, 42 h, 48 h, 54 h, 60 h, 66 h, 3 d, 7 d, 14 d, 28 d, 3 m, and 6 m postexposure. Meanwhile, slit‐lamp microscopy and histopathology were performed at 6 h, 24 h, 3 d, 7 d, 14 d, 28 d, 3 m, and 6 m postexposure.

Results

After the two types of infrared laser injuries, distinct white circular lesions on the corneal surface were directly observed. Deeper corneal injury, more severe edema, and faster migration of new epithelium were found for the wavelength of 1.319 μm, compared to the wavelength of 10.6 μm.

Conclusions

OCT combined with histopathology and slit‐lamp microscopy can clearly observe the dynamic process of corneal wound healing after infrared laser irradiation. The damage characteristics for the two different wavelengths were visibly different, but the whole wound healing process was similar. The obtained results may provide references for the diagnosis, treatment, and evaluation of laser‐induced damages.
Factors associated with urinary incontinence among Hispanic/Latina women in the United States: Findings from The Hispanic Community Health Study/Study of Latinos (HCHS/SOL)
Authors: Mason Matthew M. , Reis Isildinha M. , Gordon Ashley , Gellman Marc D. , Perreira Krista , Daviglus Martha , Garcia‐Bedoya Olga , Amin Katherine , Cordero Christina , Syan Raveen
Published: December 2023

Purpose

To identify factors associated with urinary incontinence (UI) in women of various Hispanic/Latina backgrounds.

Materials and Methods

We analyzed data from the Hispanic Community Health Study/Study of Latinos (HCHS/SOL), a multicenter, community‐based cohort study which includes a health‐related questionnaire assessing presence and type of UI. Complex survey logistic regression analysis was used to assess the cross‐sectional association of Hispanic/Latina backgrounds and other factors of UI. All estimates accounted for HCHS/SOL survey design.

Results

Of 5027 women, 33.4% answered “yes” to UI. Rates of any UI ranged from approximately 21.9% to 40.3% in women of Dominican and Puerto‐Rican background, respectively. Any UI and UI subtypes were associated with age older than 65 years, increasing body mass index, smoking status, any alcohol use, parity ≥3, and postmenopausal status. After controlling for covariates and when compared with women of Mexican background, women of Dominican background were less likely to have any UI (OR = 0.42, 95% CI 0.30–0.57), as were women of Cuban (OR = 0.48, 95% CI 0.37–0.62), Puerto‐Rican (OR = 0.79, 95% CI 0.62–1.0), and mixed (OR = 0.62, 95% CI 0.39–0.99) background; and women of every other background except for South American were less likely to have stress UI. In addition, women of Cuban (OR = 0.53, 95% CI 0.32–0.86) and mixed (OR = 0.38, 95% CI 0.16–0.87) background were less likely to have urge UI than women of Mexican background.

Conclusions

Our study demonstrates differences in UI by Hispanic/Latina background, suggesting collective designation of Hispanics/Latinas as a single ethnic group does not adequately describe UI among this diverse group.