bluuebunny/crossref_metadata_2025_split huggingface dataset:
Bimetallic Cooperatively Catalyzed Heteroarylation of Aryl Fluorosulfates
Authors: Zhang Guofu , Han Linjun , Guan Chenfei , Qi Huijie , Ding Chengrong 
Published: December 2022

AbstractWe report a bimetallic cooperatively catalyzed C−H activation strategy for the heteroarylation of easily accessed aryl fluorosulfates which were introduced to sulfur fluoride exchange (SuFEx) click chemistry by Sharpless. This novel catalytic system enables highly chemoselective synthesis of important heterobiaryl motifs through the coupling of aryl fluorosulfates in the absence of prefunclization and directing groups. Moreover, this strategy has good functional group tolerance and a wide range of substrates and could be successfully used for the synthesis of bioactive molecules tafamidis.
Machine learning approaches linking brain function to behavior in the ABCD STOP task
Authors: Yuan Dekang , Hahn Sage , Allgaier Nicholas , Owens Max M. , Chaarani Bader , Potter Alexandra , Garavan Hugh 
Published: December 2022

AbstractThe stop‐signal task (SST) is one of the most common fMRI tasks of response inhibition, and its performance measure, the stop‐signal reaction‐time (SSRT), is broadly used as a measure of cognitive control processes. The neurobiology underlying individual or clinical differences in response inhibition remain unclear, consistent with the general pattern of quite modest brain–behavior associations that have been recently reported in well‐powered large‐sample studies. Here, we investigated the potential of multivariate, machine learning (ML) methods to improve the estimation of individual differences in SSRT with multimodal structural and functional region of interest‐level neuroimaging data from 9‐ to 11‐year‐olds children in the ABCD Study. Six ML algorithms were assessed across modalities and fMRI tasks. We verified that SST activation performed best in predicting SSRT among multiple modalities including morphological MRI (cortical surface area/thickness), diffusion tensor imaging, and fMRI task activations, and then showed that SST activation explained 12% of the variance in SSRT using cross‐validation and out‐of‐sample lockbox data sets (n = 7298). Brain regions that were more active during the task and that showed more interindividual variation in activation were better at capturing individual differences in performance on the task, but this was only true for activations when successfully inhibiting. Cortical regions outperformed subcortical areas in explaining individual differences but the two hemispheres performed equally well. These results demonstrate that the detection of reproducible links between brain function and performance can be improved with multivariate approaches and give insight into a number of brain systems contributing to individual differences in this fundamental cognitive control process.
Individual and country‐level variables associated with the medicalization of birth: Multilevel analyses of IMAgiNE EURO data from 15 countries in the WHO European region
Authors: Miani Céline , Wandschneider Lisa , Batram‐Zantvoort Stephanie , Covi Benedetta , Elden Helen , Nedberg Ingvild Hersoug , Drglin Zalka , Pumpure Elizabete , Costa Raquel , Rozée Virginie , Otelea Marina Ruxandra , Drandić Daniela , Radetic Jelena , Abderhalden‐Zellweger Alessia , Ćerimagić Amira , Arendt Maryse , Mariani Ilaria , Linden Karolina , Ponikvar Barbara Mihevc , Jakovicka Dārta , Dias Heloisa , Ruzicic Jovana , de Labrusse Claire , Valente Emanuelle Pessa , Zaigham Mehreen , Bohinec Anja , Rezeberga Dace , Barata Catarina , Pfund Anouk , Sacks Emma , Lazzerini Marzia ,   the IMAgiNE EURO study group
Published: December 2022

AbstractObjectiveTo investigate potential associations between individual and country‐level factors and medicalization of birth in 15 European countries during the COVID‐19 pandemic.MethodsOnline anonymous survey of women who gave birth in 2020–2021. Multivariable multilevel logistic regression models estimating associations between indicators of medicalization (cesarean, instrumental vaginal birth [IVB], episiotomy, fundal pressure) and proxy variables related to care culture and contextual factors at the individual and country level.ResultsAmong 27 173 women, 24.4% (n = 6650) had a cesarean and 8.8% (n = 2380) an IVB. Among women with IVB, 41.9% (n = 998) reported receiving fundal pressure. Among women with spontaneous vaginal births, 22.3% (n = 4048) had an episiotomy. Less respectful care, as perceived by the women, was associated with higher levels of medicalization. For example, women who reported having a cesarean, IVB, or episiotomy reported not feeling treated with dignity more frequently than women who did not have those interventions (odds ratio [OR] 1.37; OR 1.61; OR 1.51, respectively; all: P < 0.001). Country‐level variables contributed to explaining some of the variance between countries.ConclusionWe recommend a greater emphasis in health policies on promotion of respectful and patient‐centered care approaches to birth to enhance women's experiences of care, and the development of a European‐level indicator to monitor medicalization of reproductive care.
Variability and drivers of CO2, CH4, and N2O concentrations in streams across the United States
Authors: DelVecchia Amanda G. , Rhea Spencer , Aho Kelly S. , Stanley Emily H. , Hotchkiss Erin R. , Carter Alice , Bernhardt Emily S. 
Published: December 2022

AbstractStreams and rivers are major sources of greenhouse gases (GHGs) to the atmosphere, as carbon and nitrogen are converted and outgassed during transport. Although our understanding of drivers of individual GHG fluxes has improved with numerous site‐specific studies and global‐scale compilations, our ability to parse out interrelated physical and biogeochemical drivers of gas concentrations is limited by a lack of consistently collected, temporally continuous samples of GHGs and their associated drivers. We present a first analysis of such a dataset collected by the National Ecological Observatory Network across 27 streams and rivers across ecoclimatic domains of the United States. Average concentrations of CO2 ranged from 36.9 ± 0.88 to 404 ± 33 μmol L−1, CH4 from 0.003 ± 0.0003 to 4.99 ± 0.72 μmol L−1, and N2O from 0.015 to 0.04 μmol L−1 and spanned ranges of previous global compilations. Both CO2 and CH4 were strongly affected by physical drivers including mean air temperature and stream slope, as well as by dissolved oxygen and total nitrogen concentrations. N2O was exclusively correlated with total nitrogen concentrations. Results suggested that potential for gas exchange dominated patterns in gas concentrations at the site level, but contributions of in‐stream aerobic and anaerobic metabolism, and groundwater also likely varied across sites. The highest gas concentrations as well as highest variability occurred in low‐gradient, warmer, and nonperennial systems. These results are a first step in providing unprecedented, continuous estimates of GHG flux constrained by temporally variable physical and biogeochemical drivers of GHG production.
Compact Mid‐Infrared Chalcogenide Glass Photonic Devices Based on Robust‐Inverse Design
Authors: Lin Xiaobin , Wei Maoliang , Lei Kunhao , Yang Songtao , Ma Hui , Zhong Chuyu , Luo Ye , Li Da , Li Junying , Lin Changgui , Zhang Wei , Dai Shixun , Hu Xiaoyong , Li Lan , Li Erping , Lin Hongtao 
Published: December 2022

AbstractMid‐infrared (mid‐IR) on‐chip photonic devices have attracted increasing attention because of their potential applications in chemical and biological sensing and optical communications. In particular, chalcogenide glasses (ChGs) have long been regarded as promising materials for mid‐IR integrated photonics, owing to their broad infrared transparency, high nonlinearity, and excellent processing capabilities. Here, an inverse design approach is introduced to ChG photonic device design with a new robust inverse design method. A high‐performance mid‐IR inverse design polarization beam splitter, waveguide polarizer, mode converter, and wavelength demultiplexer are demonstrated for the first time. They all have a footprint of only several micrometers. The robust inverse design method could improve the robustness of device performance against fabrication variations and would be a general approach for designing and optimizing miniaturized chalcogenide photonic devices.
Large‐Area and Flexible Plasmonic Metasurface for Laser–Infrared Compatible Camouflage
Authors: Huang Jingkai , Wang Yuetang , Yuan Liming , Huang Cheng , Liao Jianming , Ji Chen , Luo Xiangang 
Published: December 2022

AbstractDue to interminable surveillance and reconnaissance through various sophisticated multispectral detectors, the need for multispectral compatible camouflage is now more than ever. Here, a flexible plasmonic metasurface is proposed to simultaneously realize low reflection at representative lasers (i.e., 1.06, 1.55, and 10.6 µm) and low emission in the atmosphere windows of both 3–5 and 8–14 µm. High absorption for both 1.06 and 1.55 µm lasers is realized by the destructive‐interference design of the multilayer Au/Ge/Ti/Ge films, while low reflection for the 10.6 µm laser results from the coding metasurface design, and low emission is attributed to ultrahigh reflection of the continuous Au/Ge/Ti/Ge films in the atmosphere windows. As a proof of concept, a flexible metasurface sample (10 cm × 10 cm) is prepared by the soft‐lithography technology. The measured specular reflectivities are 0.017, 0.13, and 0.17 at wavelengths 1.06, 1.55, and 10.6 µm, respectively. Meanwhile, the average emissivities are 0.19 and 0.11 in 3–5 and 8–14 µm, respectively. Additionally, the flexible metasurface also exhibits integrated advantages including easy mass fabrication, good mechanical flexibility and robustness, super‐hydrophobic characteristic, unambiguously demonstrating the success of the design strategy for promoting multispectral compatible camouflage.
The expanding Asgard archaea invoke novel insights into Tree of Life and eukaryogenesis
Authors: Zhou Zhichao , Liu Yang , Anantharaman Karthik , Li Meng 
Published: December 2022

AbstractThe division of organisms on the Tree of Life into either a three‐domain (3D) tree or a two‐domain (2D) tree has been disputed for a long time. Ever since the discovery of Archaea by Carl Woese in 1977 using 16S ribosomal RNA sequence as the evolutionary marker, there has been a great advance in our knowledge of not only the growing diversity of Archaea but also the evolutionary relationships between different lineages of living organisms. Here, we present this perspective to summarize the progress of archaeal diversity and changing notion of the Tree of Life. Meanwhile, we provide the latest progress in genomics/physiology‐based discovery of Asgard archaeal lineages as the closest relative of Eukaryotes. Furthermore, we propose three major directions for future research on exploring the “next one” closest Eukaryote relative, deciphering the function of archaeal eukaryotic signature proteins and eukaryogenesis from both genomic and physiological aspects, and understanding the roles of horizontal gene transfer, viruses, and mobile elements in eukaryogenesis.
Technical note: In silico benchmarking of the linear energy transfer‐based functionalities for carbon ion beams in a commercial treatment planning system
Authors: Schafasand Mansure , Resch Andreas Franz , Traneus Erik , Glimelius Lars , Fossati Piero , Stock Markus , Gora Joanna , Georg Dietmar , Carlino Antonio 
Published: December 2022

AbstractBackgroundThe increasing number of studies dealing with linear energy transfer (LET)‐based evaluation and optimization in the field of carbon ion radiotherapy (CIRT) indicates the rising demand for LET implementation in commercial treatment planning systems (TPS). Benchmarking studies could play a key role in detecting (and thus preventing) computation errors prior implementing such functionalities in a TPS.PurposeThis in silico study was conducted to benchmark the following two LET‐related functionalities in a commercial TPS against Monte Carlo simulations: (1) dose averaged LET (LETd) scoring and (2) physical dose filtration based on LET for future LET‐based treatment plan evaluation and optimization studies.MethodsThe LETd scoring and LET‐based dose filtering (in which the deposited dose can be separated into the dose below and above the user specified LET threshold) functionalities for carbon ions in the research version RayStation (RS) 9A‐IonPG TPS (RaySearch Laboratories, Sweden) were benchmarked against GATE/Geant4 simulations. Pristine Bragg peaks (BPs) and cuboid targets, positioned at different depths in a homogeneous water phantom and a setup with heterogeneity were used for this study.ResultsFor all setups (homogeneous and heterogeneous), the mean absolute (and relative) LETd difference was less than 1 keV/m (3.5%) in the plateau and target and less than 2 keV/m (8.3%) in the fragmentation tail. The maximum local differences were 4 and 6 keV/m, respectively. The mean absolute (and relative) physical dose differences for both low‐ and high‐LET doses were less than 1 cGy (1.5%) in the plateau, target and tail with a maximum absolute difference of 2 cGy.ConclusionsNo computation error was found in the tested functionalities except for LETd in lateral direction outside the target, showing the limitation of the implemented monochrome model in the tested TPS version.
Rate of manifesting carriers and other unexpected findings on carrier screening
Authors: Clevenger Sydney K. , Brandt Justin S. , Khan Shama P. , Shingala Pranali , Carrick Jillian , Aluwalia Ruchi , Heiman Gary A. , Ashkinadze Elena 
Published: December 2022

AbstractObjectivesTo ascertain the rate of unexpected findings on carrier screening (CS) and assess whether implications are disclosed to patients.MethodsWe performed a retrospective observational study of subjects who had CS after pre‐test counseling from a licensed genetic counselor at a large tertiary care center. We quantified the rate of unexpected finding on CS, defined as manifesting carriers (MCs), genotypes predicting phenotype, and chromosome abnormalities. We determined how often patients were informed of implications. We performed subgroup analyses by type of unexpected finding and calculated odds ratios (OR) and 95% confidence intervals (CI) for carrier testing methodology (genotype) and number of genes tested.ResultsA total of 4685 patients had CS over the selected time frame. Of those patients, 412 patients (8.8%) had one unexpected finding and 29 patients (0.6%) had two or more findings. In total, 466 unexpected findings were identified, including 437 MC conditions, 23 genotypes predicting phenotype, and 6 chromosome abnormalities. Patients were informed of the implications for MCs, genotypes predicting phenotype, and chromosome abnormalities in 27.6%, 91.3%, and 100% of cases, respectively. More unexpected findings were detected with sequencing compared to genotyping (OR 2.21 and 95% CI 1.76–2.76) and with ≥200 gene panels compared to <200 gene panels (OR 1.79 and 95% CI 1.47–2.17).ConclusionThis study highlights that nondisclosure of unexpected findings on CS is common and underscores the need for further research to improve post‐test counseling and follow‐up.
Registration of ‘S16‐11644C’: A maturity group IV soybean cultivar with high‐yielding performance and broad disease resistance
Authors: Chen Pengyin , Shannon J. Grover , Lee Dongho , do Granja Matheus Ogando , Ali Md Liakat , Vieira Caio Canella , Lee Yi‐Chen , do Nascimento Emanuel Ferrari , Scaboo Andrew , Crisel Melissa , Smothers Scotty , Clubb Michael , Selves Stewart , Nguyen Henry T. , Li Zenglu , Mitchum Melissa Goellner , Averitt Ben , Bond Jason P. , Meinhardt Clinton G. , Usovsky Mariola , Li Shuxian , Smith James R. , Gillen Anne M. , Mengistu Alemu , Zhang Bo , Mozzoni Leandro Angel , Robbins Robert T. , Moseley David 
Published: December 2022

Abstract‘S16‐11644C’ (Reg. no. CV‐556, PI 700010) is a semi‐determinate maturity group IV non–genetically modified (GM) soybean cultivar developed and released by the University of Missouri–Fisher Delta Research, Extension, and Education Center to fulfill the growing market demands and consumers’ preference for non‐GM soybean cultivars. S16‐11644C was tested in a total of 82 environments across 11 southern states from 2017 to 2020. It demonstrated high yield potential and broad adaptability compared with commercial and public check cultivars. S16‐11644C is resistant to soybean cyst nematode races 2 (HG Type 1.2.5.7), 3 (HG Type 5.7), and 5 (HG Type 2.5.7); southern root‐knot nematode; peanut root‐knot nematode; and charcoal rot and is a salt excluder. Seed of S16‐11644C average 410 and 224 g kg−1 of seed protein and oil content on a dry weight basis, respectively, and 48.2% of meal protein content at 13% moisture level. Due to its high‐yielding genetic background with a desired early maturity, broad adaptability, disease resistance, and absence of GM events, S16‐11644C offers a unique package for soybean growers across the U.S. mid‐southern states to maximize profits through premium prices of non‐GM soybean cultivars in the niche markets and the flexibility of harvest and saving seeds for the next crop seasons.
Microenvironment Modulation of Metal–Organic Frameworks (MOFs) for Coordination Olefin Oligomerization and (co)Polymerization
Authors: Zhang Chuan‐Lei , Zhou Tao , Li Yong‐Qing , Lu Xin , Guan Ye‐Bin , Cao Yu‐Cai , Cao Gui‐Ping 
Published: December 2022

AbstractThe majority of commercial polyolefins are produced by coordination polymerization using early or late transition metal catalysts. Molecular catalysts containing these transition metals (Ti, Zr, Cr, Ni, and Fe, etc.) are loaded on supports for controlled polymerization behavior and polymer morphology in slurry or gas phase processes. Within the last few years, metal–organic frameworks (MOFs), a class of unique porous crystalline materials constructed from metal ions/clusters and organic ligands, have been designed and utilized as excellent supports for heterogeneous polymerization catalysis whose high density and uniform distribution of active sites would benefit the modulations of molecular weight distributions of high‐performance olefin oligomers and (co)polymers. Impressive efforts have been made to modulate the microenvironment surrounding the active centers at the atomic level for improved activities of MOFs‐based catalysts and controlled selectivity of olefin insertion. This review aims to draw a comprehensive picture of MOFs for coordination olefin oligomerization and (co)polymerization in the past decades with respect to different transition metal active centers, various incorporation sites, and finally microenvironment modulation. In consideration of more efforts are needed to overcome challenges for further industrial and commercial application, a brief outlook is provided.
Photoliquefiable Azobenzene Surfactants toward Solar Thermal Fuels that Upgrade Photon Energy Storage via Molecular Design
Authors: Zhang Lei , Liu Han , Du Qianyao , Zhang Guoqiang , Zhu Shanhui , Wu Zhongtao , Luo Xiliang 
Published: December 2022

AbstractPhotoresponsive phase change materials (PPCMs) are capable of storing photon and heat energy simultaneously and releasing the stored energy as heat in a controllable way. While, the azobenzene‐based PPCMs exhibit a contradiction between gravimetric energy storage density and photoinduced phase change. Here, a type of azobenzene surfactants with balance between molecular free volume and intermolecular interaction is designed in molecular level, which can address the coharvest of photon energy and low‐grade heat energy at room temperature. Such PPCMs gain the total gravimetric energy density up to 131.18 J g−1 by charging solid sample and 160.50 J g−1 by charging solution. Notably, the molar isomerization enthalpy upgrades by a factor of up to 2.4 compared to azobenzene. The working mechanism is explained by the computational studies. All the stored energy can release out as heat under Vis light, causing a fast surface temperature rise. This study demonstrates a new molecular designing strategy for developing azobenzene‐based PPCMs with high gravimetric energy density by improving the photon energy storage.
Air‐Stable Protective Layers for Lithium Anode Achieving Safe Lithium Metal Batteries
Authors: Li Runjing , Fan Yining , Zhao Chuan , Hu Anjun , Zhou Bo , He Miao , Chen Jiahao , Yan Zhongfu , Pan Yu , Long Jianping 
Published: December 2022

AbstractWith markedly expansive demand in energy storage devices, rechargeable batteries will concentrate on achieving the high energy density and adequate security, especially under harsh operating conditions. Considering the high capacity (3860 mA h g−1) and low electrochemical potential (−3.04 V vs the standard hydrogen electrode), lithium metal is identified as one of the most promising anode materials, which has sparked a research boom. However, the intrinsically high reactivity triggers a repeating fracture/reconstruction process of the solid electrolyte interphase, side reactions with electrolyte and lithium dendrites, detrimental to the electrochemical performance of lithium metal batteries (LMBs). Even worse, when exposed to air, lithium metal will suffer severe atmospheric corrosion, especially the reaction with moisture, leading to grievous safety hazards. To settle these troubles, constructing air‐stable protective layers (ASPLs) is an effective solution. In this review, besides the necessity of ASPLs is highlighted, the modified design criteria, focusing on enhancing chemical/mechanical stability and controlling ion flux, are proposed. Correspondingly, current research progress is comprehensively summarized and discussed. Finally, the perspectives of developing applicable lithium metal anodes (LMAs) are put forward. This review guides the direction for the practical use of LMAs, further pushing the evolution of safe and stable LMBs.
AP1/Fra1 confers resistance to MAPK cascade inhibition in pancreatic cancer
Authors: Schneeweis Christian , Diersch Sandra , Hassan Zonera , Krauß Lukas , Schneider Carolin , Lucarelli Daniele , Falcomatà Chiara , Steiger Katja , Öllinger Rupert , Krämer Oliver H. , Arlt Alexander , Grade Marian , Schmidt-Supprian Marc , Hessmann Elisabeth , Wirth Matthias , Rad Roland , Reichert Maximilian , Saur Dieter , Schneider Günter 
Published: December 2022

AbstractTargeting KRAS downstream signaling remains an important therapeutic approach in pancreatic cancer. We used primary pancreatic ductal epithelial cells and mouse models allowing the conditional expression of oncogenic KrasG12D, to investigate KRAS signaling integrators. We observed that the AP1 family member FRA1 is tightly linked to the KRAS signal and expressed in pre-malignant lesions and the basal-like subtype of pancreatic cancer. However, genetic-loss-of-function experiments revealed that FRA1 is dispensable for KrasG12D-induced pancreatic cancer development in mice. Using FRA1 gain- and loss-of-function models in an unbiased drug screen, we observed that FRA1 is a modulator of the responsiveness of pancreatic cancer to inhibitors of the RAF–MEK–ERK cascade. Mechanistically, context-dependent FRA1-associated adaptive rewiring of oncogenic ERK signaling was observed and correlated with sensitivity to inhibitors of canonical KRAS signaling. Furthermore, pharmacological-induced degradation of FRA1 synergizes with MEK inhibitors. Our studies establish FRA1 as a part of the molecular machinery controlling sensitivity to MAPK cascade inhibition allowing the development of mechanism-based therapies.