bluuebunny/crossref_metadata_2025 huggingface dataset:
In vitro bioassays for monitoring drinking water quality of tap water, domestic filtration and bottled water
Authors: Escher Beate I. , Blanco Jordi , Caixach Josep , Cserbik Dora , Farré Maria J. , Flores Cintia , König Maria , Lee Jungeun , Nyffeler Jo , Planas Carles , Redondo-Hasselerharm Paula E. , Rovira Joaquim , Sanchís Josep , Schuhmacher Marta , Villanueva Cristina M.
Published: June 2023

Background

Location-specific patterns of regulated and non-regulated disinfection byproducts (DBPs) were detected in tap water samples of the Barcelona Metropolitan Area. However, it remains unclear if the detected DBPs together with undetected DPBs and organic micropollutants can lead to mixture effects in drinking water.

Objective

To evaluate the neurotoxicity, oxidative stress response and cytotoxicity of 42 tap water samples, 6 treated with activated carbon filters, 5 with reverse osmosis and 9 bottled waters. To compare the measured effects of the extracts with the mixture effects predicted from the detected concentrations and the relative effect potencies of the detected DBPs using the mixture model of concentration addition.

Methods

Mixtures of organic chemicals in water samples were enriched by solid phase extraction and tested for cytotoxicity and neurite outgrowth inhibition in the neuronal cell line SH-SY5Y and for cytotoxicity and oxidative stress response in the AREc32 assay.

Results

Unenriched water did not trigger neurotoxicity or cytotoxicity. After up to 500-fold enrichment, few extracts showed cytotoxicity. Disinfected water showed low neurotoxicity at 20- to 300-fold enrichment and oxidative stress response at 8- to 140-fold enrichment. Non-regulated non-volatile DBPs, particularly (brominated) haloacetonitriles dominated the predicted mixture effects of the detected chemicals and predicted effects agreed with the measured effects. By hierarchical clustering we identified strong geographical patterns in the types of DPBs and their association with effects. Activated carbon filters did not show a consistent reduction of effects but domestic reverse osmosis filters decreased the effect to that of bottled water.

Impact statement

Bioassays are an important complement to chemical analysis of disinfection by-products (DBPs) in drinking water. Comparison of the measured oxidative stress response and mixture effects predicted from the detected chemicals and their relative effect potencies allowed the identification of the forcing agents for the mixture effects, which differed by location but were mainly non-regulated DBPs. This study demonstrates the relevance of non-regulated DBPs from a toxicological perspective. In vitro bioassays, in particular reporter gene assays for oxidative stress response that integrate different reactive toxicity pathways including genotoxicity, may therefore serve as sum parameters for drinking water quality assessment.
Free-electron interactions with van der Waals heterostructures: a source of focused X-ray radiation
Authors: Shi Xihang , Kurman Yaniv , Shentcis Michael , Wong Liang Jie , García de Abajo F. Javier , Kaminer Ido
Published: June 2023

The science and technology of X-ray optics have come far, enabling the focusing of X-rays for applications in high-resolution X-ray spectroscopy, imaging, and irradiation. In spite of this, many forms of tailoring waves that had substantial impact on applications in the optical regime have remained out of reach in the X-ray regime. This disparity fundamentally arises from the tendency of refractive indices of all materials to approach unity at high frequencies, making X-ray-optical components such as lenses and mirrors much harder to create and often less efficient. Here, we propose a new concept for X-ray focusing based on inducing a curved wavefront into the X-ray generation process, resulting in the intrinsic focusing of X-ray waves. This concept can be seen as effectively integrating the optics to be part of the emission mechanism, thus bypassing the efficiency limits imposed by X-ray optical components, enabling the creation of nanobeams with nanoscale focal spot sizes and micrometer-scale focal lengths. Specifically, we implement this concept by designing aperiodic vdW heterostructures that shape X-rays when driven by free electrons. The parameters of the focused hotspot, such as lateral size and focal depth, are tunable as a function of an interlayer spacing chirp and electron energy. Looking forward, ongoing advances in the creation of many-layer vdW heterostructures open unprecedented horizons of focusing and arbitrary shaping of X-ray nanobeams.
A research and development investment strategy to achieve the Paris climate agreement
Authors: Aleluia Reis Lara , Vrontisi Zoi , Verdolini Elena , Fragkiadakis Kostas , Tavoni Massimo
Published: June 2023

Climate stabilization requires the deployment of several low-carbon options, some of which are still not available at large scale or are too costly. Governments will have to make important decisions on how to incentivize Research and Development (R&D). Yet, current assessments of climate neutrality typically do not include research-driven innovation. Here, we link two integrated assessment models to study R&D investment pathways consistent with climate stabilization and suggest a consistent financing scheme. We focus on five low-carbon technologies and on energy efficiency measures. We find that timely R&D investment in these technologies lowers mitigation costs and induces positive employment effects. Achieving 2 °C (1.5 °C) requires a global 18% (64%) increase in cumulative low-carbon R&D investment relative to the reference scenario by mid-century. We show that carbon revenues are sufficient to both finance the additional R&D investment requirements and generate economic benefits by reducing distortionary taxation, such as payroll taxes, thus enhancing job creation.
Deep optoacoustic localization microangiography of ischemic stroke in mice
Authors: Deán-Ben Xosé Luís , Robin Justine , Nozdriukhin Daniil , Ni Ruiqing , Zhao Jim , Glück Chaim , Droux Jeanne , Sendón-Lago Juan , Chen Zhenyue , Zhou Quanyu , Weber Bruno , Wegener Susanne , Vidal Anxo , Arand Michael , El Amki Mohamad , Razansky Daniel
Published: June 2023

Super-resolution optoacoustic imaging of microvascular structures deep in mammalian tissues has so far been impeded by strong absorption from densely-packed red blood cells. Here we devised 5 µm biocompatible dichloromethane-based microdroplets exhibiting several orders of magnitude higher optical absorption than red blood cells at near-infrared wavelengths, thus enabling single-particle detection in vivo. We demonstrate non-invasive three-dimensional microangiography of the mouse brain beyond the acoustic diffraction limit (<20 µm resolution). Blood flow velocity quantification in microvascular networks and light fluence mapping was also accomplished. In mice affected by acute ischemic stroke, the multi-parametric multi-scale observations enabled by super-resolution and spectroscopic optoacoustic imaging revealed significant differences in microvascular density, flow and oxygen saturation in ipsi- and contra-lateral brain hemispheres. Given the sensitivity of optoacoustics to functional, metabolic and molecular events in living tissues, the new approach paves the way for non-invasive microscopic observations with unrivaled resolution, contrast and speed.
Targeted viral adaptation generates a simian-tropic hepatitis B virus that infects marmoset cells
Authors: Liu Yongzhen , Cafiero Thomas R. , Park Debby , Biswas Abhishek , Winer Benjamin Y. , Cho Cheul H. , Bram Yaron , Chandar Vasuretha , Connell Aoife K. O’ , Gertje Hans P. , Crossland Nicholas , Schwartz Robert E. , Ploss Alexander
Published: June 2023

Hepatitis B virus (HBV) only infects humans and chimpanzees, posing major challenges for modeling HBV infection and chronic viral hepatitis. The major barrier in establishing HBV infection in non-human primates lies at incompatibilities between HBV and simian orthologues of the HBV receptor, sodium taurocholate co-transporting polypeptide (NTCP). Through mutagenesis analysis and screening among NTCP orthologues from Old World monkeys, New World monkeys and prosimians, we determined key residues responsible for viral binding and internalization, respectively and identified marmosets as a suitable candidate for HBV infection. Primary marmoset hepatocytes and induced pluripotent stem cell-derived hepatocyte-like cells support HBV and more efficient woolly monkey HBV (WMHBV) infection. Adapted chimeric HBV genome harboring residues 1–48 of WMHBV preS1 generated here led to a more efficient infection than wild-type HBV in primary and stem cell derived marmoset hepatocytes. Collectively, our data demonstrate that minimal targeted simianization of HBV can break the species barrier in small NHPs, paving the path for an HBV primate model.
Vacuole dynamics and popping-based motility in liquid droplets of DNA
Authors: Saleh Omar A. , Wilken Sam , Squires Todd M. , Liedl Tim
Published: June 2023

Liquid droplets of biomolecules play key roles in organizing cellular behavior, and are also technologically relevant, yet physical studies of dynamic processes of such droplets have generally been lacking. Here, we investigate and quantify the dynamics of formation of dilute internal inclusions, i.e., vacuoles, within a model system consisting of liquid droplets of DNA ‘nanostar’ particles. When acted upon by DNA-cleaving restriction enzymes, these DNA droplets exhibit cycles of appearance, growth, and bursting of internal vacuoles. Analysis of vacuole growth shows their radius increases linearly in time. Further, vacuoles pop upon reaching the droplet interface, leading to droplet motion driven by the osmotic pressure of restriction fragments captured in the vacuole. We develop a model that accounts for the linear nature of vacuole growth, and the pressures associated with motility, by describing the dynamics of diffusing restriction fragments. The results illustrate the complex non-equilibrium dynamics possible in biomolecular condensates.
Phenanthroline-carbolong interface suppress chemical interactions with active layer enabling long-time stable organic solar cells
Authors: Lai, Xue , Chen, Shiyan , Gu, Xiaoyu , Lai, Hanjian , Wang, Yunpeng , Zhu, Yulin , Wang, Hui , Qu, Jianfei , Kyaw Aung Ko Ko , Xia Haiping , He Feng
Published: June 2023

To restrain the chemical reaction at cathode interface of organic solar cells, two cathode interfacial materials are synthesized by connecting phenanthroline with carbolong unit. Consequently, the D18:L8-BO based organic solar cell with double-phenanthroline-carbolong achieve the highest efficiency of 18.2%. Double-phenanthroline-carbolong with larger steric hindrance and stronger electron-withdrawing property confirms to suppress the interfacial reaction with norfullerene acceptor, resulting the most stable device. Double-phenanthroline-carbolong based device can sustain 80% of its initial efficiency for 2170 h in dark N2 atmosphere, 96 h under 85 oC and keep 68% initial efficiency after been illuminated for 2200 h, which are significantly better than bathocuproin based devices. Moreover, superb interfacial stability of double-phenanthroline-carbolong cathode interface enables thermal posttreatment of organic sub-cell in perovskite/organic tandem solar cells and obtained a remarkable efficiency of 21.7% with excellent thermal stability, which indicates the potentially wide application of phenanthroline-carbolong materials for stable and efficient solar device fabrications.
A plant RNA virus inhibits NPR1 sumoylation and subverts NPR1-mediated plant immunity
Authors: Liu Jiahui , Wu Xiaoyun , Fang Yue , Liu Ye , Bello Esther Oreofe , Li Yong , Xiong Ruyi , Li Yinzi , Fu Zheng Qing , Wang Aiming , Cheng Xiaofei
Published: June 2023

NONEXPRESSER OF PATHOGENESIS-RELATED GENES 1 (NPR1) is the master regulator of salicylic acid-mediated basal and systemic acquired resistance in plants. Here, we report that NPR1 plays a pivotal role in restricting compatible infection by turnip mosaic virus, a member of the largest plant RNA virus genus Potyvirus, and that such resistance is counteracted by NUCLEAR INCLUSION B (NIb), the viral RNA-dependent RNA polymerase. We demonstrate that NIb binds to the SUMO-interacting motif 3 (SIM3) of NPR1 to prevent SUMO3 interaction and sumoylation, while sumoylation of NIb by SUMO3 is not essential but can intensify the NIb–NPR1 interaction. We discover that the interaction also impedes the phosphorylation of NPR1 at Ser11/Ser15. Moreover, we show that targeting NPR1 SIM3 is a conserved ability of NIb from diverse potyviruses. These data reveal a molecular “arms race” by which potyviruses deploy NIb to suppress NPR1-mediated resistance through disrupting NPR1 sumoylation.
Continentality determines warming or cooling impact of heavy rainfall events on permafrost
Authors: Hamm Alexandra , Magnússon Rúna Í. , Khattak Ahmad Jan , Frampton Andrew
Published: June 2023

Permafrost thaw can cause an intensification of climate change through the release of carbon as greenhouse gases. While the effect of air temperature on permafrost thaw is well quantified, the effect of rainfall is highly variable and not well understood. Here, we provide a literature review of studies reporting on effects of rainfall on ground temperatures in permafrost environments and use a numerical model to explore the underlying physical mechanisms under different climatic conditions. Both the evaluated body of literature and the model simulations indicate that continental climates are likely to show a warming of the subsoil and hence increased end of season active layer thickness, while maritime climates tend to respond with a slight cooling effect. This suggests that dry regions with warm summers are prone to more rapid permafrost degradation under increased occurrences of heavy rainfall events in the future, which can potentially accelerate the permafrost carbon feedback.
Identifying and sharing per-and polyfluoroalkyl substances hot-spot areas and exposures in drinking water
Authors: Ojha Sweta , Thompson P. Travis , Powell Christian D. , Moseley Hunter N. B. , Pennell Kelly G.
Published: June 2023

Exposure to per- and polyfluoroalkyl substances (PFAS) in drinking water is widely recognized as a public health concern. Decision-makers who are responsible for managing PFAS drinking water risks lack the tools to acquire the information they need. In response to this need, we provide a detailed description of a Kentucky dataset that allows decision-makers to visualize potential hot-spot areas and evaluate drinking water systems that may be susceptible to PFAS contamination. The dataset includes information extracted from publicly available sources to create five different maps in ArcGIS Online and highlights potential sources of PFAS contamination in the environment in relation to drinking water systems. As datasets of PFAS drinking water sampling continue to grow as part of evolving regulatory requirements, we used this Kentucky dataset as an example to promote the reuse of this dataset and others like it. We incorporated the FAIR (Findable, Accessible, Interoperable, and Reusable) principles by creating a Figshare item that includes all data and associated metadata with these five ArcGIS maps.
Efficacy and safety of add-on anti-CD20 monoclonal antibody to Bruton tyrosine kinase inhibitor treatment for chronic lymphocytic leukemia: a meta-analysis
Authors: Nguyen Thi Thuy , Nhu Nguyen Thanh , Tran Van Khoi , Viet-Nhi Nguyen-Kieu , Ho Xuan Dung , Jhan Ming-Kai , Chen Ya-Ping , Lin Chiou-Feng
Published: June 2023

The efficacy of Bruton tyrosine kinase inhibitors (BTKi) remains suboptimal in chronic lymphocytic leukemia (CLL) treatment. A systematic review and meta-analysis were conducted to compare the outcomes of combining anti-CD20 monoclonal antibodies (mAb) with BTKi therapy versus BTKi monotherapy for patients with CLL. We searched for relevant studies in the Pubmed, Medline, Embase, and Cochrane databases until December 2022. We estimated the effective results using a hazard ratio (HR) for survival outcomes and relative risk (RR) for response outcomes and safety. Four randomized controlled trials (including 1056 patients) were found until November 2022 and fulfilled the inclusion criteria. Progression-free survival was significantly improved with the addition of anti-CD20 mAb to BTKi over BTKi (HR 0.70, 95% confidence interval (CI) 0.51–0.97), whereas pooled analysis of overall survival did not favor combination therapy compared to BTKi monotherapy (HR 0.72, 95% CI 0.50–1.04). Combination therapy was related to a statistically better complete response (RR, 2.03; 95% CI 1.01 to 4.06) and an undetectable minimal residual disease rate (RR, 6.43; 95% CI 3.54 to 11.67). The risk of grade ≥ 3 adverse events was comparable between the two groups (RR, 1.08; (95% CI 0.80 to 1.45). Overall, adding anti-CD20 mAb to BTKi revealed superior efficacy than BTKi alone in untreated or previously treated CLL patients without affecting the safety of single-agent BTKi. Conducting further randomized studies to confirm our results and determine the optimal therapy for managing patients with CLL is essential.
Global spatial distribution of Chromolaena odorata habitat under climate change: random forest modeling of one of the 100 worst invasive alien species
Authors: Adhikari Pradeep , Lee Yong Ho , Poudel Anil , Hong Sun Hee , Park Yong-Soon
Published: June 2023

Anthropogenic activities and global climate change increase the risk of Chromolaena odorata invasion and habitat expansion. To predict its global distribution and habitat suitability under climate change, a random forest (RF) model was employed. The RF model, utilizing default parameters, analyzed species presence data and background information. The model revealed that the current spatial distribution of C. odorata covers 7,892,447 km2. Predictions for 2061– 2080 indicate expansion of suitable habitat (42.59 and 46.30%), reduction of suitable habit (12.92 and 12.20%), and preservation of suitable habitat (87.08 and 87.80%) under the SSP (Shared Socio-economic Pathway) 2-4.5 and SSP5-8.5 scenarios, respectively, in comparison to the present distribution. Currently, C. odorata is predominantly found in South America, with limited presence in other continents. However, the data suggest that climate change will elevate the global invasion risk of C. odorata worldwide, particularly in Oceania, Africa, and Australia. Countries such as Gambia, Guinea-Bissau, and Lesotho, which currently have unsuitable habitats, are predicted to have highly suitable habitats with climate change, supporting the idea that global habitat expansion for C. odorata will occur due to climate change. This study indicates that proper management of C. odorata is crucial during the early invasion phase.
A missense variant at the RAC1-PAK1 binding site of RAC1 inactivates downstream signaling in VACTERL association
Authors: Seyama Rie , Nishikawa Masashi , Uchiyama Yuri , Hamada Keisuke , Yamamoto Yuka , Takeda Masahiro , Ochi Takanori , Kishi Monami , Suzuki Toshifumi , Hamanaka Kohei , Fujita Atsushi , Tsuchida Naomi , Koshimizu Eriko , Misawa Kazuharu , Miyatake Satoko , Mizuguchi Takeshi , Makino Shintaro , Yao Takashi , Ito Hidenori , Itakura Atsuo , Ogata Kazuhiro , Nagata Koh-ichi , Matsumoto Naomichi
Published: June 2023

RAC1 at 7p22.1 encodes a RAC family small GTPase that regulates actin cytoskeleton organization and intracellular signaling pathways. Pathogenic RAC1 variants result in developmental delay and multiple anomalies. Here, exome sequencing identified a rare de novo RAC1 variant [NM_018890.4:c.118T > C p.(Tyr40His)] in a male patient. Fetal ultrasonography indicated the patient to have multiple anomalies, including persistent left superior vena cava, total anomalous pulmonary venous return, esophageal atresia, scoliosis, and right-hand polydactyly. After birth, craniofacial dysmorphism and esophagobronchial fistula were confirmed and VACTERL association was suspected. One day after birth, the patient died of respiratory failure caused by tracheal aplasia type III. The molecular mechanisms of pathogenic RAC1 variants remain largely unclear; therefore, we biochemically examined the pathophysiological significance of RAC1-p.Tyr40His by focusing on the best characterized downstream effector of RAC1, PAK1, which activates Hedgehog signaling. RAC1-p.Tyr40His interacted minimally with PAK1, and did not enable PAK1 activation. Variants in the RAC1 Switch II region consistently activate downstream signals, whereas the p.Tyr40His variant at the RAC1-PAK1 binding site and adjacent to the Switch I region may deactivate the signals. It is important to accumulate data from individuals with different RAC1 variants to gain a full understanding of their varied clinical presentations.
Analysis of gut microbiota in patients with Williams–Beuren Syndrome reveals dysbiosis linked to clinical manifestations
Authors: Del Chierico Federica , Marzano Valeria , Scanu Matteo , Reddel Sofia , Dentici Maria Lisa , Capolino Rossella , Di Donato Maddalena , Spasari Iolanda , Fiscarelli Ersilia Vita , Digilio Maria Cristina , Abreu Maria Teresa , Dallapiccola Bruno , Putignani Lorenza
Published: June 2023

Williams–Beuren syndrome (WBS) is a multisystem genetic disease caused by the deletion of a region of 1.5–1.8 Mb on chromosome 7q11.23. The elastin gene seems to account for several comorbidities and distinct clinical features such including cardiovascular disease, connective tissue abnormalities, growth retardation, and gastrointestinal (GI) symptoms. Increasing evidence points to alterations in gut microbiota composition as a primary or secondary cause of some GI or extra-intestinal characteristics. In this study, we performed the first exploratory analysis of gut microbiota in WBS patients compared to healthy subjects (CTRLs) using 16S rRNA amplicon sequencing, by investigating the gut dysbiosis in relation to diseases and comorbidities. We found that patients with WBS have significant dysbiosis compared to age-matched CTRLs, characterized by an increase in proinflammatory bacteria such as Pseudomonas, Gluconacetobacter and Eggerthella, and a reduction of anti-inflammatory bacteria including Akkermansia and Bifidobacterium. Microbial biomarkers associated with weight gain, GI symptoms and hypertension were identified. Gut microbiota profiling could represent a new tool that characterise intestinal dysbiosis to complement the clinical management of these patients. In particular, the administration of microbial-based treatments, alongside traditional therapies, could help in reducing or preventing the burden of these symptoms and improve the quality of life of these patients.
Measuring the diversity gap of cannabis clinical trial participants compared to people who report using cannabis
Authors: Barkholtz Heather , Bates Maia
Published: June 2023

Little is known about the demographics of people who use cannabis, including how use trends within population subgroups have evolved over time. It is therefore challenging to know if the demographics of participants enrolled in cannabis clinical trials are representative of those who use cannabis. To fill this knowledge gap, data from the National Survey on Drug Use and Health (NSDUH) on “past-month” cannabis use across various population subgroups in the United States was examined from 2002 to 2021. The most notable increases in “past-month” cannabis use prevalence occurred in those aged 65 and older (2,066.1%) and 50–64-year-olds (472.4%). In 2021, people reporting “past-month” cannabis use were 56.6% male and 43.4% female. Distribution across self-reported race and ethnicity was 64.1% White, 14.3% Black, 14.1% Hispanic, and 3.1% more than one race. And many ages were represented as 24.4% were 26–34, 24.1% were 35–49, 22.4% were 18–25, and 17.6% were 50–64 years old. To understand if these population subgroups are represented in cannabis clinical trials, participant demographics were extracted from peer-reviewed clinical trials reporting on pharmacokinetic and/or pharmacodynamic models of cannabis or cannabinoids. Literature was grouped by publication year (2000–2014 and 2015–2022) and participant prior exposure to cannabis. Results identified that cannabis clinical trial participants are skewed toward overrepresentation by White males in their 20s and 30s. This represents structural discrimination in the research landscape that perpetuates social and health inequities.
A new multiplex qPCR assay to detect and differentiate big cat species in the illegal wildlife trade
Authors: Henger Carol S. , Straughan Dyan J. , Xu Charles C. Y. , Nightingale Batya R. , Kretser Heidi E. , Burnham-Curtis Mary K. , McAloose Denise , Seimon Tracie A.
Published: June 2023

All species of big cats, including tigers, cheetahs, leopards, lions, snow leopards, and jaguars, are protected under the Convention on the International Trade in Endangered Species (CITES). This is due in large part to population declines resulting from anthropogenic factors, especially poaching and the unregulated and illegal trade in pelts, bones, teeth and other products that are derived from these iconic species. To enhance and scale up monitoring for big cat products in this trade, we created a rapid multiplex qPCR test that can identify and differentiate DNA from tiger (Panthera tigris), cheetah (Acinonyx jubatus), leopard (Panthera pardus), lion (Panthera leo), snow leopard (Panthera uncia), and jaguar (Panthera onca) in wildlife products using melt curve analysis to identify each species by its unique melt peak temperature. Our results showed high PCR efficiency (> 90%), sensitivity (detection limit of 5 copies of DNA per PCR reaction) and specificity (no cross amplification between each of the 6 big cat species). When paired with a rapid (< 1 h) DNA extraction protocol that amplifies DNA from bone, teeth, and preserved skin, total test time is less than three hours. This test can be used as a screening method to improve our understanding of the scale and scope of the illegal trade in big cats and aid in the enforcement of international regulations that govern the trade in wildlife and wildlife products, both ultimately benefiting the conservation of these species worldwide.
Deep learning to automatically evaluate HER2 gene amplification status from fluorescence in situ hybridization images
Authors: Xue Tian , Chang Heng , Ren Min , Wang Haochen , Yang Yu , Wang Boyang , Lv Lei , Tang Licheng , Fu Chicheng , Fang Qu , He Chuan , Zhu Xiaoli , Zhou Xiaoyan , Bai Qianming
Published: June 2023

Human epidermal growth factor receptor 2 (HER2) gene amplification helps identify breast cancer patients who may respond to targeted anti-HER2 therapy. This study aims to develop an automated method for quantifying HER2 fluorescence in situ hybridization (FISH) signals and improve the working efficiency of pathologists. An Aitrox artificial intelligence (AI) model based on deep learning was constructed, and a comparison between the AI model and traditional manual counting was performed. In total, 918 FISH images from 320 consecutive invasive breast cancers were analysed and automatically classified into 5 groups according to the 2018 ASCO/CAP guidelines. The overall classification accuracy was 85.33% (157/184) with a mean average precision of 0.735. In Group 5, the most common group, the consistency was as high as 95.90% (117/122), while the consistency was low in the other groups due to the limited number of cases. The causes of this inconsistency, including clustered HER2 signals, coarse CEP17 signals and some section quality problems, were analysed. The developed AI model is a reliable tool for evaluating HER2 amplification statuses, especially for breast cancer in Group 5; additional cases from multiple centres could further improve the accuracy achieved for other groups.
Differential thermal analysis techniques as a tool for preliminary examination of catalyst for combustion
Authors: Yurchenko Olena , Pernau Hans-Fridtjof , Engel Laura , Wöllenstein Jürgen
Published: June 2023

The need for more economical catalysts for various combustion reactions is continuously driving catalyst development. We present Differential Thermal Analysis (DTA) and Differential Scanning Calorimetry (DSC) as suitable techniques for fast examination of catalyst activity for combustion reactions. The heat of reaction ΔHr generated at the catalyst in a combustible atmosphere is the measure for estimating the capability of the catalyst. Present investigations verify the reliability of both methods for the pre-selection of catalysts for further extensive investigations. To simplify the measurements and the result evaluation, a new measurement routine is introduced which is more suitable for rapid catalyst investigation than the conventional approach. For initial investigations, oxidation of 1% methane on a cobalt oxide catalyst was used. First, DTA measurements were performed. The vessel size and the amount of catalyst are considered as factors influencing the thermal signal. Simultaneous mass spectrometry measurements were used to better understand the formation of the DTA response. Comparable DSC investigations were then conducted. Finally, the behavior of catalyst was compared with two commercial palladium/alumina catalysts using DTA and DSC. Our investigations show that DTA and DSC are powerful methods to identify potential catalysts in a fast and reproducible manner, provided that all parameters influencing the thermal signal are kept constant.
Temporal instability and differences in injury severity between restrained and unrestrained drivers in speeding-related crashes
Authors: Se Chamroeun , Champahom Thanapong , Wisutwattanasak Panuwat , Jomnonkwao Sajjakaj , Ratanavaraha Vatanavongs
Published: June 2023

Upon detecting a crash impact, the vehicle restraint system locks the driver in place. However, external factors such as speeding, crash mechanisms, roadway attributes, vehicle type, and the surrounding environment typically contribute to the driver being jostled within the vehicle. As a result, it is crucial to model unrestrained and restrained drivers separately to reveal the true impact of the restraint system and other factors on driver injury severities. This paper aims to explore the differences in factors affecting injury severity for seatbelt-restrained and unrestrained drivers involved in speeding-related crashes while accounting for temporal instability in the investigation. Utilizing crash data from Thailand between 2012 and 2017, mixed logit models with heterogeneity in means and variances were employed to account for multi-layered unobserved heterogeneity. For restrained drivers, the risk of fatal or severe crashes was positively associated with factors such as male drivers, alcohol influence, flush/barrier median roadways, sloped roadways, vans, running off the roadway without roadside guardrails, and nighttime on unlit or lit roads. For unrestrained drivers, the likelihood of fatal or severe injuries increased in crashes involving older drivers, alcohol influence, raised or depressed median roadways, four-lane roadways, passenger cars, running off the roadway without roadside guardrails, and crashes occurring in rainy conditions. The out-of-sample prediction simulation results are particularly significant, as they show the maximum safety benefits achievable solely by using a vehicle's seatbelt system. Likelihood ratio test and predictive comparison findings highlight the considerable combined impact of temporal instability and the non-transferability of restrained and unrestrained driver injury severities across the periods studied. This finding also demonstrates a potential reduction in severe and fatal injury rates by simply replicating restrained driver conditions. The findings should be of value to policymakers, decision-makers, and highway engineers when developing potential countermeasures to improve driver safety and reduce the frequency of severe and fatal speeding-related single-vehicle crashes.
Biogenic production of silver, zinc oxide, and cuprous oxide nanoparticles, and their impregnation into textiles with antiviral activity against SARS-CoV-2
Authors: Asmat-Campos David , Rojas-Jaimes Jesús , de Oca-Vásquez Gabriela Montes , Nazario-Naveda R. , Delfín-Narciso D. , Juárez-Cortijo L. , Bayona Damaris Esquen , Diringer Benoit , Pereira Reinaldo , Menezes Diego Batista
Published: June 2023

Nanotechnology is being used to fight off infections caused by viruses, and one of the most outstanding nanotechnological uses is the design of protective barriers made of textiles functionalized with antimicrobial agents, with the challenge of combating the SARS-CoV-2 virus, the causal agent of COVID-19. This research is framed within two fundamental aspects: the first one is linked to the proposal of new methods of biogenic synthesis of silver, cuprous oxide, and zinc oxide nanoparticles using organic extracts as reducing agents. The second one is the application of nanomaterials in the impregnation (functionalization) of textiles based on methods called "in situ" (within the synthesis), and "post-synthesis" (after the synthesis), with subsequent evaluation of their effectiveness in reducing the viral load of SARS-CoV-2. The results show that stable, monodisperse nanoparticles with defined geometry can be obtained. Likewise, the "in situ" impregnation method emerges as the best way to adhere nanoparticles. The results of viral load reduction show that 'in situ' textiles with Cu2O NP achieved a 99.79% load reduction of the SARS-CoV-2 virus.
Monitoring the gasification area and its behavior in underground coal gasification by acoustic emission technique instead of temperature measurement
Authors: Hamanaka Akihiro , Ishii Yuma , Itakura Ken-ichi , Sasaoka Takashi , Shimada Hideki , Widodo Nuhindro Priagung , Sulistianto Budi , Kodama Jun-ichi , Deguchi Gota
Published: June 2023

Underground Coal Gasification (UCG) requires monitoring of the gasification area because the gasification process is invisible and the reaction temperature exceeds 1000 °C. Many fracturing events that occurred due to coal heating can be captured with Acoustic Emission (AE) monitoring technique during UCG. However, the temperature conditions to generate fracturing events during UCG have not yet been clarified. Therefore, the coal heating experiment and small-scale UCG experiment are conducted by measuring the temperature and AE activities in this research to examine the applicability of the AE technique instead of temperature measurement as a monitoring method during UCG. As a result, many fracturing events are generated when the temperature of coal is changed drastically, especially during coal gasification. Besides, AE events increase in the sensor near the heat source and AE sources are expanded widely with the expansion of the high-temperature region. AE monitoring is an effective technique for the estimation of the gasification area during UCG instead of temperature monitoring.
An analysis of the climate change effects on pesticide vapor drift from ground-based pesticide applications to cotton
Authors: Kannan Narayanan
Published: June 2023

Vapor drift of applied pesticides is an increasing concern. Among the major crops cultivated in the Lower Mississippi Delta (LMD), cotton receives most of the pesticides. An investigation was carried out to determine the likely changes in pesticide vapor drift (PVD) as a result of climate change that occurred during the cotton growing season in LMD. This will help to better understand the consequences and prepare for the future climate. Pesticide vapor drift is a two-step process: (a) volatilization of the applied pesticide to vapors and (b) mixing of the vapors with the atmosphere and their transport in the downwind direction. This study dealt with the volatilization part alone. Daily values of maximum and minimum air temperature, averages of relative humidity, wind speed, wet bulb depression and vapor pressure deficit for 56 years from 1959 to 2014 were used for the trend analysis. Wet bulb depression (WBD), indicative of evaporation potential, and vapor pressure deficit (VPD), indicative of the capacity of atmospheric air to accept vapors, were estimated using air temperature and relative humidity (RH). The calendar year weather dataset was trimmed to the cotton growing season based on the results of a precalibrated RZWQM for LMD. The modified Mann Kendall test, Pettitt test and Sen’s slope were included in the trend analysis suite using ‘R’. The likely changes in volatilization/PVD under climate change were estimated as (a) average qualitative change in PVD for the entire growing season and (b) quantitative changes in PVD at different pesticide application periods during the cotton growing season. Our analysis showed marginal to moderate increases in PVD during most parts of the cotton growing season as a result of climate change patterns of air temperature and RH during the cotton growing season in LMD. Estimated increased volatilization of the postemergent herbicide S-metolachlor application during the middle of July appears to be a concern in the last 20 years that exhibits climate alteration.
Regulation of microRNA expression by the adaptor protein GRB2
Authors: Stainthorp Amy K. , Lin Chi-Chuan , Wang Dapeng , Medhi Ragini , Ahmed Zamal , Suen Kin Man , Miska Eric A. , Whitehouse Adrian , Ladbury John E.
Published: June 2023

Protein interactions with the microRNA (miRNA)-mediated gene silencing protein Argonaute 2 (AGO2) control miRNA expression. miRNA biogenesis starts with the production of precursor transcripts and culminates with the loading of mature miRNA onto AGO2 by DICER1. Here we reveal an additional component to the regulatory mechanism for miRNA biogenesis involving the adaptor protein, growth factor receptor-bound protein 2 (GRB2). The N-terminal SH3 domain of GRB2 is recruited to the PAZ domain of AGO2 forming a ternary complex containing GRB2, AGO2 and DICER1. Using small-RNA sequencing we identified two groups of miRNAs which are regulated by the binding of GRB2. First, mature and precursor transcripts of mir-17~92 and mir-221 miRNAs are enhanced. Second, mature, but not precursor, let-7 family miRNAs are diminished suggesting that GRB2 directly affects loading of these miRNAs. Notably, the resulting loss of let-7 augments expression of oncogenic targets such as RAS. Thus, a new role for GRB2 is established with implications for cancer pathogenesis through regulation of miRNA biogenesis and oncogene expression.
Combining two genetic sexing strains allows sorting of non-transgenic males for Aedes genetic control
Authors: Lutrat Célia , Burckbuchler Myriam , Olmo Roenick Proveti , Beugnon Rémy , Fontaine Albin , Akbari Omar S. , Argilés-Herrero Rafael , Baldet Thierry , Bouyer Jérémy , Marois Eric
Published: June 2023

Chemical control of disease vectoring mosquitoes Aedes albopictus and Aedes aegypti is costly, unsustainable, and increasingly ineffective due to the spread of insecticide resistance. The Sterile Insect Technique is a valuable alternative but is limited by slow, error-prone, and wasteful sex-separation methods. Here, we present four Genetic Sexing Strains (two for each Aedes species) based on fluorescence markers linked to the m and M sex loci, allowing for the isolation of transgenic males. Furthermore, we demonstrate how combining these sexing strains enables the production of non-transgenic males. In a mass-rearing facility, 100,000 first instar male larvae could be sorted in under 1.5 h with an estimated 0.01–0.1% female contamination on a single machine. Cost-efficiency analyses revealed that using these strains could result in important savings while setting up and running a mass-rearing facility. Altogether, these Genetic Sexing Strains should enable a major upscaling in control programmes against these important vectors.
Quantitative determination of bromochloroacetamide in mice urine by gas chromatography combined with salting-out assisted dispersive liquid–liquid microextraction
Authors: Hao Yamei , Zhou Run , Wang Shunan , Ding Xingwang , Zhu Jingying , Yang Li , Li Yao , Ding Xinliang
Published: June 2023

A novel method has been established for the detection of BCAcAm in urine samples collected from mice after continuous exposure to drinking water containing BCAcAm by combining GC-ECD and SA-DLLME.
A study of the antioxidant properties of Keggin-type polyoxometalates
Authors: Lei Shan , Yang Han , Li Jiaxin , Li Yao , Wang Li , Chen Bingnian , Li Jian
Published: June 2023

The antioxidant capacity of Keggin-type POMs was assessed by measuring cytotoxicity and free radical scavenging capacity in vivo.
Transition metal complexes of cyclam with two 2,2,2-trifluoroethylphosphinate pendant arms as probes for 19F magnetic resonance imaging
Authors: Koucký Filip , Kotek Jan , Císařová Ivana , Havlíčková Jana , Kubíček Vojtěch , Hermann Petr
Published: June 2023

Complexes of the title ligand with selected paramagnetic first-row transition metal ions exhibit short longitudinal relaxation times (T1) of 19F nuclei and high stabilities, promising for potential use as effective 19F MRI contrast agents.
Multi-omics analysis reveals the mechanism of torularhodin accumulation in the mutant Rhodosporidium toruloides A1-15 under nitrogen-limited conditions
Authors: Liu Mengyang , Wang Haitao , Yan Xu , Zhang Sufang , Ji Chaofan , Chen Yingxi , Zhu Beiwei , Lin Xinping
Published: June 2023

A carotenoid production strain Rhodosporidium toruloides NP11 and its mutant strain R. toruloides A1-15 were studied under chemostat nitrogen-limited cultivation.
Astaxanthin alleviates lipopolysaccharide-induced acute lung injury by suppressing ferroptosis
Authors: Dong Xue , Li Dandan , Fang Zhiyao , Zhang Chenyang , Wang Jia , Wan Xianyao
Published: June 2023

Mechanism diagram of astaxanthin alleviating ALI.
Heteroatom-doped noble carbon-tailored mixed matrix membranes with ultrapermeability for efficient CO2 separation
Authors: Tian Zhihong , Li Dongyang , Zheng Weigang , Chang Qishuo , Sang Yudong , Lai Feili , Wang Jing , Zhang Yatao , Liu Tianxi , Antonietti Markus
Published: June 2023

N/O para-doped noble carbon with surprisingly unique properties and low price is applied to prepare mixed matrix membranes with ultrapermeability for CO2. The CO2 separation performance of the optimal membranes far surpassing the 2008 upper bound.
Constructing abundant interfaces by decorating MoP quantum dots on CoP nanowires to induce electronic structure modulation for enhanced hydrogen evolution reaction
Authors: Chen Yuanyuan , Sui Tingting , Lyu Chaojie , Wu Kaili , Wu Jiwen , Huang Meifang , Hao Ju , Lau Woon-Ming , Wan Chubin , Pang Dawei , Zheng Jinlong
Published: June 2023

In the heterostructure MoP/CoP/Cu3P/CF, the transfer of interfacial electrons from MoP to CoP helps to regulate the electronic structure of the active sites and possess suitable H adsorption free energy, resulting in significantly enhanced HER activity.
Histidine–DNA nanoarchitecture as laccase mimetic DNAzymes
Authors: Yum Ji Hye , Kumagai Tomotaka , Hori Daisuke , Sugiyama Hiroshi , Park Soyoung
Published: June 2023

We report on the construction of Cu–histidine (His)–DNA hybrids as laccase-mimetic DNAzymes. Cu–His–DNAzymes provide new insights for the systematic construction of tailor-made active sites for biomimetics.
A triphenylamine-based fluorescent probe with phenylboronic acid for highly selective detection of Hg2+ and CH3Hg+ in groundwater
Authors: Li Lin , Ouyang Hao , Long Zhiqing , Zhang Qinpeng , Jiang Yunqi , Cai Meng , Xiong Shenglun , Peng Sangshan , Xu Guangyu , He Qing
Published: June 2023

This work describes the rational design and facile synthesis of a new easy-to-make triphenylamine-based phenylboronic acid fluorescent probe for highly sensitive and selective detection of Hg2+ and CH3Hg+ in real-world groundwater.
Flavin based supramolecular gel displaying multi-stimuli triggered sol–gel transition
Authors: Vinod Mouli M. S. S. , Mishra Ashutosh Kumar
Published: June 2023

Design and development of flavin analogue with minimal structural perturbation was identified as a robust low molecular weight gelator, which is capable of displaying redox (Fe3+/Fe2+) and pH triggred response.
Rh(iii)-catalyzed [3 + 3] spirocyclization of 3-aryl-3-hydroxyisoindolinones with vinylene carbonate as a three-atom unit
Authors: Jin Hai-Shan , Liang Cai-Cai
Published: June 2023

A new annulation of 3-aryl-3-hydroxyisoindolinones for the efficient synthesis of isoindolinone-derived spiroisochromenes is reported.
Organozincs for versatile synthesis of non-symmetric azoarenes
Authors: Duan Zhili , Dong Shoucheng , Li Jie
Published: June 2023

A practical and versatile arylation of diazonium salts with diarylzinc reagents has been developed, thus affording straightforward access to non-symmetric azoarenes with a broad substrate scope and excellent functional group compatibility.
Core–shell heterojunction engineering of Co3O4/NiFe LDH nanosheets as bifunctional electrocatalysts for efficient reduction of nitrite to ammonia
Authors: Feng Yi , Ren Jin-Tao , Wang Hao-Yu , Wang Lei , Yuan Zhong-Yong
Published: June 2023

Core–shell Co3O4/NiFe LDH heterostructured nanosheets serve as remarkable NO2−RR and OER bifunctional electrocatalysts for high-efficiency and low-cost ammonia production.
Current material design strategies on the copper chalcogenide cathodes for rechargeable magnesium batteries: a review
Authors: Liu Xin , Zhang Qianwei , Du Changliang , Du Xiao , Zhu Youqi , Cao Chuanbao
Published: June 2023

Five modification strategies from macroscopic (size, morphology and structure, material composite) to microscopic (crystal structure, atomic substitution) for copper chalcogenide cathodes are summarized to facilitate design of high-performance RMBs.
Organocatalytic enantioselective reaction of tertiary α-(7-indolyl)methanols with tryptamines
Authors: Yue Zhibin , Shen Boming , Cao Jie , Chen Xuling , Fang Fang , Li Pengfei , Yu Peiyuan , Li Wenjun
Published: June 2023

With the aid of chiral phosphoric acid, enantioselective 1,6-addition of tryptamines to in situ formed alkynyl 7-methylene-7H-indoles from tertiary α-(7-indolyl)methanols has been established, furnishing axially chiral tetrasubstituted allenes in high yields.
Preparation of a TiO2/PEDOT nanorod film with enhanced electrochromic properties
Authors: Zhuang Biying , Zhang Qianqian , Zhou Kailing , Wang Hao
Published: June 2023

The length of PEDOT conjugated chains was quantified, which proved that TiO2nanorod arrays played an active role in the prolongation of PEDOT conjugated chains. The TiO2/PEDOT was further developed to be a smart bi-functional electrochromic device.
Adsorption properties of silica aerogel-based materials
Authors: Goryunova Kristina , Gahramanli Yunis , Gurbanova Rena
Published: June 2023

This paper highlights the potential of silica aerogels and their modifications as adsorbents for environmental cleanup based on recent research.
Facile synthesis of efficient Co3O4nanostructures using the milky sap ofCalotropis procerafor oxygen evolution reactions and supercapacitor applications
Authors: Bhatti Adeel Liaquat , Tahira Aneela , Kumar Shusheel , Ujjan Zaheer Ahmed , Bhatti Muhammad Ali , Kumar Sooraj , Aftab Umair , Karsy Amal , Nafady Ayman , Infantes-Molina Antonia , Ibupoto Zafar Hussain
Published: June 2023

The preparation of Co3O4nanostructures by a green method has been rapidly increasing owing to its promising aspects, such as facileness, atom economy, low cost, scale-up synthesis, environmental friendliness, and minimal use of hazardous chemicals.
Exploring the inhibitory potential of Nigella sativa against dengue virus NS2B/NS3 protease and NS5 polymerase using computational approaches
Authors: Mukhtar Mamuna , Khan Haris Ahmed , Zaidi Najam us Sahar Sadaf
Published: June 2023

Graphical abstract of the study scheme indicatig Nigella sativa's promising inhibition of dengue virus enzymes.
Pyrrole alkaloids from the fruiting bodies of edible mushroom Lentinula edodes
Authors: Zhao Zhen-Zhu , Zhang Fei , Ji Bao-Yu , Zhou Ning , Chen Hui , Sun Yan-Jun , Feng Wei-Sheng , Zheng Xiao-Ke
Published: June 2023

Nine pyrrole alkaloids were isolated from the wild mushroom Lentinula edodes for the first time. Their structures were determined by multiple methods. The novel compound 1 exhibited cytotoxicity against SMMC-772 without any cytotoxic effect on LO2.