bluuebunny/crossref_metadata_2025_split huggingface dataset:
Polypeptide Radical Cathode for Aqueous Zn‐Ion Battery with Two‐Electron Storage and Faster Charging Rate
Authors: Deng Yongqi , Teng Changchang , Wu Yihan , Zhang Kefu , Yan Lifeng 
Published: February 2022

AbstractThe rapidly growing demand for batteries has led to a lack of global mineral resources and rechargeable organic batteries are paid extensive attention, owing to the abundance resources, light weight, and high flexibility of organic electrodes. However, most organic electrodes that use aliphatic backbones are nondegradable, leading to unsustainability when active sites fail. In this study, a poly(aspartic acid) polypeptide (PASP) with amide links in the backbone and nitroxide radical pendant groups in the side chains is synthesized by modifying the polypeptides with 4‐amino‐2,2,6,6‐tetramethylpiperidine. In combination with a Zn anode, the PASP‐TEMPO composite electrode exhibits rapid charge–discharge and superior cycling stability with reversible two‐electron redox reaction in aqueous electrolyte. The Zn/PASP‐TEMPO organic radical battery delivers a discharge capacity of around 80 mAh g−1 by two‐electron reaction and charge–discharge rates of up to 18 A g−1. Because the redox reaction process of the nitroxyl radical turning into oxoammonium follows a p‐type mechanism that interacts with an anion, three electrolytes with different anions are tested in the Zn/PASP‐TEMPO organic radical battery. Experimental results indicate that discharge plateau voltage is tunable by choosing different zinc salts as electrolytes. Capacity retention of up to 97.4 % after 500 cycles is realized in 1 m ZnClO4 electrolyte, which can be attributed to the adjacent reaction potentials of the two‐step one‐electron reaction.
The economic tradeoffs and ecological impacts associated with a potential mesopelagic fishery in the California Current
Authors: Dowd Sally , Chapman Melissa , Koehn Laura E. , Hoagland Porter 
Published: February 2022

AbstractThe ocean's mesopelagic zone (200–1000 m) remains one of the most understudied parts of the ocean despite knowledge that mesopelagic fishes are highly abundant. Apex predators from the surface waters are known to consume these fishes, constituting an important ecological interaction. Some countries have begun exploring the potential harvest of mesopelagic fishes to supply fishmeal and fish oil markets due to the high fish abundance in the mesopelagic zone compared with overfished surface waters. This study explored the economic and ecological implications of a moratorium on the harvest of mesopelagic fishes such as lanternfish off the US West Coast, one of the few areas where such resources are managed. We adapted a bioeconomic decision model to examine the tradeoffs between the values gained from a hypothetical mesopelagic fishery with the potential values lost from declines in predators of mesopelagic fishes facing a reduced prey resource. The economic rationale for a moratorium on harvesting mesopelagics was sensitive both to ecological relationships and the scale of the nonmarket values attributed to noncommercial predators. Using a California Current‐based ecological simulation model, we found that most modeled predators of mesopelagic fishes increased in biomass even under high mesopelagic harvest rates, but the changes (either increases or decreases) were small, with relatively few predators responding with more than a 10% change in their biomass. While the ecological simulations implied that a commercial mesopelagic fishery might not have large biomass impacts for many species in the California Current system, there is still a need to further explore the various roles of the mesopelagic zone in the ocean.
Long‐term changes in habitat selection and prey spectrum in a reintroduced Eurasian lynx (Lynx lynx) population in Switzerland
Authors: Nagl Daniela , Breitenmoser Urs , Hackländer Klaus , Ryser Andreas , Zimmermann Fridolin , Signer Sven , Haller Heinrich , Breitenmoser‐Würsten Christine , Vogt Kristina 
Published: February 2022

AbstractWhen wild‐caught Eurasian lynx (Lynx lynx) from the Slovak Carpathian Mountains were reintroduced to Central Switzerland in the early 1970s and spread through the north‐western Swiss Alps (NWA), they faced a largely unfamiliar landscape with strongly fragmented forests, high elevations, and intense human land use. For more than 30 years, radio‐collared lynx have been monitored during three different project periods (in the 1980s, 1990s, and 2010s). Our study explored, how lynx over generations have learned to adjust to the alpine environment. We predicted that (1) lynx nowadays select more strongly for open habitats, higher elevations, and steep slopes compared to the early stages of recolonization and that (2) consequently, there were significant changes in the Eurasian lynx’ prey spectrum. To test our predictions, we analyzed telemetry data (VHF, GPS) of 13 adult resident lynx in the NWA over 35 years, using Resource Selection Functions. Furthermore, we compared kills recorded from different individuals inhabiting the same region during three project periods. In general, lynx preferred forested areas, but over the years, they avoided open habitat less. Compared to the early stage of the recolonization, lynx in the most recent project period selected for higher elevations and the proportion of chamois in their prey spectrum surmounted that of roe deer. Potential driving factors for the observed changes could be increasing tolerance to human presence, intraspecific competition, or fitness benefits through exploitation of new resources. Long‐term studies like ours provide important insight into how animals can respond to sudden environmental changes, e.g., in the course of translocations into new areas or anthropogenic alterations of their habitats.
Ixodes scapularis density in US temperate forests shaped by deer, earthworms, and disparate factors at two scales
Authors: Larson Scott R. , Sabo Autumn E. , Kruger Eric , Jones Phillip , Paskewitz Susan M. 
Published: February 2022

AbstractForest and wildlife management can help regulate the risk of human exposure to tick‐borne pathogens by influencing the population density of host‐seeking ticks and the pathogen infection prevalence in tick populations. For the blacklegged tick (Ixodes scapularis), also known as the deer tick, the overall density of host‐seeking nymphs and the density of nymphs infected with Borrelia burgdorferi sensu stricto (which causes Lyme disease) are often closely and positively correlated. We sought to identify biotic and abiotic factors influencing nymph abundance in a multiscale assessment within and across forested landscapes in northern Wisconsin. On a set of randomly located plots within each of six mesic, hardwood‐dominated forests, we collected host‐seeking and on‐host ticks, observed two common mammal hosts (white‐tailed deer and mice), and characterized the structure and composition of the forest plant community. We also surveyed activity of exotic invasive earthworms, which are altering forest structure in the region. At the broader forest‐level scale (n = 6), nymphal tick abundance was positively related to deer population density after accounting for the negative influence of forb cover. At the finer plot‐level scale (n = 87), nymph abundance was positively correlated with the abundance of coarse woody debris and negatively correlated with the density of earthworm castings, an indicator of Lumbricid (nightcrawler) activity. Thus, we identified a suite of key factors, operating at different spatial scales, that shape the suitability of forest habitat for questing immature ticks. These findings inform our basic understanding of blacklegged tick ecology and also have important implications for managing tick‐borne pathogens in forest ecosystems and landscapes.
Design and Synthesis of Sebacic Acid from Castor Oil by New Alternate Route
Authors: Bhukya Gandhi , Kaki Shiva Shanker 
Published: February 2022

AbstractA simple and alternate organic synthetic route for sebacic acid, a high value ten‐carbon aliphatic dicarboxylic acid from castor oil is described in this study. Castor oil methyl esters are purified to obtain methyl ester of ricinoleic acid that is used as the starting material for the preparation of sebacic acid. The hydroxyl group of methyl ricinoleate is oxidized to corresponding 12‐oxo derivative followed by isomerization of the cis 9, 10 olefinic bond to trans 10, 11 isomer. The isomerized compound is subjected to dihydroxylation followed by oxidative cleavage and subsequent methylation to obtain dimethyl decanedioate. The dimethyl decanedioate is finally hydrolyzed to obtain sebacic acid. The intermediate compounds and final product are purified and characterized by chromatographic and spectral analysis. The final compound is analyzed by 1H and 13C‐NMR as well as high resolution mass spectrometry and compared with standard compound for the confirmation of the structure.Practical Applications: The design and preparation of sebacic acid by the novel alternate route is described.Castor oil, a renewable source, is utilized as the raw material for the preparation of sebacic acid.Isomerization of the 9, 10 cis bond to 10, 11 trans bond is the key step in the synthesis of sebacic acid.The chemical transformation of castor oil to sebacic acid by newer route is investigated.
Energetic and Topological Supramolecular Study and Nucleation Mechanism Proposal of Halogenated Phenols
Authors: Teixeira Campos Patrick , Karkow Bones Mariana , Siqueira da Silva Rubia Mara 
Published: February 2022

AbstractIn this work, an energetic and topological supramolecular study of 10 different halogenated phenols, X−C6H4−OH (X=F, Cl, Br and I) in the ortho, meta, and para positions was carried out, except for X=Br, in ortho‐ and meta‐X‐phenols. Most compounds have a molecular coordination number (MCN) of fourteen. All intermolecular interactions were classified, and the robustness was evaluated. Strong intermolecular interactions such as O−H⋅⋅⋅O and π⋅⋅⋅π contributed half the energy of the cluster, although interactions considered weak as C−H⋅⋅⋅X and C−H⋅⋅⋅π reached 40 % in energetic contribution, as they revealed a greater number of occurrences. Additionally, these theoretical data of energy were correlated with experimental data of melting point and packing density revealing a notable trend. In almost all cases evaluating the same position, the higher the density, the higher the melting point and the higher the stabilizing energy. Finally, nucleation proposals were suggested for all compounds and revealed that six compounds needed three stages, while four compounds needed only two stages to promote the growth of the supramolecular structure in three directions.
On the Asymmetric Iridium‐Catalyzed N‐Allylation of Amino Acid Esters: Improved Selectivities through Structural Variation of the Chiral Phosphoramidite Ligand
Authors: Albat Dominik , Köcher Alicia , Witt Julia , Schmalz Hans‐Günther 
Published: February 2022

AbstractThe investigation of the iridium‐catalyzed asymmetric N‐allylation of tert‐butyl glycinate using a “branched” racemic 1‐vinyl‐alkyl methyl carbonate revealed severe limitations of existing protocols. By screening a set of 24 BINOL‐derived chiral phosphoramidites a new superior ligand (L24*) was identified which afforded the amination product with high enantioselectivity (≥95 % ee) under optimized conditions. This ligand also allowed the N‐allylation of other amino acid tert‐butyl esters (derived from alanine, phenylalanine, or proline) with outstanding levels of diastereocontrol (d.r. ≥99 : 1) and negligible matched/mismatched differences.
Antimicrobial Resistance in Rivers: A Review of the Genes Detected and New Challenges
Authors: Grenni Paola 
Published: February 2022

Abstract
River ecosystems are very important parts of the water cycle and an excellent habitat, food, and drinking water source for many organisms, including humans. Antibiotics are emerging contaminants which can enter rivers from various sources. Several antibiotics and their related antibiotic resistance genes (ARGs) have been detected in these ecosystems by various research programs and could constitute a substantial problem. The presence of antibiotics and other resistance cofactors can boost the development of ARGs in the chromosomes or mobile genetic elements of natural bacteria in rivers. The ARGs in environmental bacteria can also be transferred to clinically important pathogens. However, antibiotics and their resistance genes are both not currently monitored by national or international authorities responsible for controlling the quality of water bodies. For example, they are not included in the contaminant list in the European Water Framework Directive or in the US list of Water-Quality Benchmarks for Contaminants. Although ARGs are naturally present in the environment, very few studies have focused on non-impacted rivers to assess the background ARG levels in rivers, which could provide some useful indications for future environmental regulation and legislation. The present study reviews the antibiotics and associated ARGs most commonly measured and detected in rivers, including the primary analysis tools used for their assessment. In addition, other factors that could enhance antibiotic resistance, such as the effects of chemical mixtures, the effects of climate change, and the potential effects of the coronavirus disease 2019 pandemic, are discussed. Environ Toxicol Chem 2022;41:687–714. © 2022 SETAC
Abstract
Different factors can affect antibiotic and antibiotic resistance gene concentrations in rivers, including those related to climate changes (e.g., temperature, dissolved organic carbon, water dilution, or water scarcity) and the amount of antibiotics and biocides in the effluents from urban and hospital wastewater-treatment plants, further intensified by the actual pandemic situation for specific antibiotics prescribed for coronavirus disease 2019 patients. WWTP = wastewater-treatment plant; COVID-19 = coronavirus disease 2019; ARG = antibiotic resistance gene.
Qualitative assessment of online information available on accredited head and neck surgery fellowship programs
Authors: Gordon Alex J. , Patel Aneek , Weed Donald , Bewley Arnaud F. , Moore Michael G. , Givi Babak 
Published: February 2022

AbstractBackgroundThe present study aims to assess the quality and availability of online information about fellowships accredited by the American Head & Neck Society (AHNS).MethodsAHNS directory pages and institutional web sites of 50 AHNS‐accredited fellowships were identified. Web pages were scored using 20 standardized criteria including general information, application information, alumni, surgical training, research, and quality‐of‐life.ResultsMedian scores for AHNS directory pages and institutional web sites were 11 (range: 7–14) and 10 (4–15), respectively. Faculty listings, contact information, program location, number of positions, and breadth of surgical exposure were the most commonly listed criteria. Less common criteria included didactic schedule, protected academic time, previous research projects, year of accreditation, work‐life balance, fellow selection criteria, interview information, and salary.ConclusionsThe AHNS directory and institutional web sites are most comprehensive in general program information and details about surgical training. Information about the application process, work‐life balance, and research opportunities were less common.
A Multiparametric Fusion Deep Learning Model Based on DCE‐MRI for Preoperative Prediction of Microvascular Invasion in Intrahepatic Cholangiocarcinoma
Authors: Gao Wenyu , Wang Wentao , Song Danjun , Wang Kang , Lian Danlan , Yang Chun , Zhu Kai , Zheng Jiaping , Zeng Mengsu , Rao Sheng‐xiang , Wang Manning 
Published: February 2022

BackgroundAssessment of microvascular invasion (MVI) in intrahepatic cholangiocarcinoma (ICC) by using a noninvasive method is an unresolved issue. Deep learning (DL) methods based on multiparametric fusion of MR images have the potential of preoperative assessment of MVI.PurposeTo investigate whether a multiparametric fusion DL model based on MR images can be used for preoperative assessment of MVI in ICC.Study typeRetrospective.PopulationA total of 519 patients (200 females and 319 males) with a single ICC were categorized as a training (n = 361), validation (n = 90), and an external test cohort (n = 68).Field strength/SequenceA 1.5 T and 3.0 T; axial T2‐weighted turbo spin‐echo sequence, diffusion‐weighted imaging with a single‐shot spin‐echo planar sequence, and dynamic contrast‐enhanced (DCE) imaging with T1‐weighted three‐dimensional quick spoiled gradient echo sequence.AssessmentDL models of multiparametric fusion convolutional neural network (CNN) and late fusion CNN were both constructed for evaluating MVI in ICC. Gradient‐weighted class activation mapping was used for visual interpretation of MVI status in ICC.Statistical TestsThe DL model performance was assessed through the receiver operating characteristic curve (ROC) analysis, and the area under the ROC curve (AUC) with the accuracy, sensitivity, and specificity were measured. P value < 0.05 was considered as statistical significance.ResultsIn the external test cohort, the proposed multiparametric fusion DL model achieved an AUC of 0.888 with an accuracy of 86.8%, sensitivity of 85.7%, and specificity of 87.0% for evaluating MVI in ICC, and the positive predictive value and negative predictive value were 63.2% and 95.9%, respectively. The late fusion DL model achieved a lower AUC of 0.866, with an accuracy of 83.8%, sensitivity of 78.6%, specificity of 85.2% for evaluating MVI in ICC.Data ConclusionOur DL model based on multiparametric fusion of MRI achieved a good diagnostic performance in the evaluation of MVI in ICC.Level of Evidence3Technical EfficacyStage 2
Characterization of the chemical constituents and in vivo metabolic profile of Scutellaria barbata D. Don by ultra high performance liquid chromatography with high‐resolution mass spectrometry
Authors: Kang An , Jiang Jialu , Li Qin , Sheng Xianjie , Chen Yan , Tan Jiani , Li Liu , Shen Weixing , Tang DongXin , Cheng Haibo , Sun Dongdong 
Published: February 2022

AbstractScutellaria barbata D. Don (S. barbata) is one of the most frequently used anticancer herb medicine in China. Mechanistic understanding of the biological activities of S. barbata is hindered by limited knowledge regarding its components and metabolic profile. In this study, ultra‐high‐performance liquid chromatography coupled with high resolution mass spectrometry (quadrupole time‐of‐flight mass spectrometry) was used to identify the chemical constituents in S. barbata and their metabolic profiles in rats. By applying cleavage rules and comparison with reference substances, 89 components were identified in S. barbata, which included 45 flavonoids, 28 diterpenoids, 10 phenolics, and 6 others. A total of 110 compounds, including 32 prototype compounds and 78 metabolites, were identified or tentatively characterized in vivo. Methylation, sulfonation, and glucuronidation were the main metabolic pathways, which could be attributed to the fact that several of the compounds in S. barbata have phenolic hydroxyl groups. This is the first systematic study on the chemical constituents and in vivo metabolic profile of S. barbata. The analytical method features a quick and comprehensive dissection of the chemical composition and metabolic profile of S. barbata and provides a basis for exploring its various biological activities.
A two‐stage multiresolution neural network for automatic diagnosis of hepatic echinococcosis from ultrasound images: A multicenter study
Authors: Cheng Jun , Wang Haixia , Li Rui , Li Xiaomeng , Zhou Xu , Yang Xin , Wang Yi , Xiong Linfei , Fan Haining , Wang Tianfu , Li Mei , Ni Dong 
Published: February 2022

AbstractPurposeHepatic echinococcosis is a parasitic disease. Ultrasound imaging is a crucially important tool for the diagnosis of this disease. Based on ultrasonic manifestations, hepatic echinococcosis can be classified into many subtypes. However, subtyping is nontrivial due to the challenges of complex sonographic textures and large intraclass and small interclass differences. The purpose of this study is to develop a computer‐aided diagnosis system for hepatic echinococcosis based on ultrasound images.MethodsWe collected a multicenter ultrasound dataset containing 9112 images from 5028 patients who were diagnosed with hepatic echinococcosis (the largest cohort to date) and developed a two‐stage multiresolution neural network for the automatic diagnosis of hepatic echinococcosis into nine subtypes, as suggested by the WHO. Our method was based on YOLO3 with two additional strategies to improve its performance: coarse grouping and multiresolution sampling. Considering that some subtypes are inherently very similar and difficult to differentiate; in the first stage, we detected and classified lesions into four coarse groups instead of making a direct classification into nine classes. In the second stage, we performed fine‐grained classification within each coarse group. Multiple views with different resolutions were sampled from the detected lesions and were input into Darknet53. The softmax outputs for the multiresolution views were averaged to generate the final output.ResultsBoth the proposed coarse grouping and multiresolution sampling strategies proved to be effective and improved the classification performance by a large margin compared with the setting without using the two strategies. Using fivefold cross‐validation, our method achieved 87.1%, 86.2%, and 86.5% in the average recall, precision and F1‐score, respectively, and outperformed other state‐of‐the‐art methods remarkably.ConclusionsThe experimental results demonstrate the great promise of our method for classifying hepatic echinococcosis. Our method can be used as an effective tool to facilitate large‐scale screening for hepatic echinococcosis in high‐risk, resource‐poor areas, thus contributing to the early diagnosis of this disease and resulting in more successful treatment.
MIL‐100(Fe) Supported Pt−Co Nanoparticles as Active and Selective Heterogeneous Catalysts for Hydrogenation of 1,3‐Butadiene
Authors: Liu Lili , Han Zhixuan , Lv Yifan , Xin Chunling , Zhou Xiaojing , Yu Lei , Tai Xishi 
Published: February 2022

AbstractSuperior catalytic performance for selective 1,3‐butadiene (1,3‐BD) hydrogenation can usually be achieved with supported bimetallic catalysts. In this work, Pt−Co nanoparticles and Pt nanoparticles supported on metal–organic framework MIL‐100(Fe) catalysts (MIL=Materials of Institut Lavoisier, PtCo/MIL‐100(Fe) and Pt/MIL‐100(Fe)) were synthesized via a simple impregnation reduction method, and their catalytic performance was investigated for the hydrogenation of 1,3‐BD. Pt1Co1/MIL‐100(Fe) presented better catalytic performance than Pt/MIL‐100(Fe), with significantly enhanced total butene selectivity. Moreover, the secondary hydrogenation of butenes was effectively inhibited after doping with Co. The Pt1Co1/MIL‐100(Fe) catalyst displayed good stability in the 1,3‐BD hydrogenation reaction. No significant catalyst deactivation was observed during 9 h of hydrogenation, but its catalytic activity gradually reduces for the next 17 h. Carbon deposition on Pt1Co1/MIL‐100(Fe) is the reason for its deactivation in 1,3‐BD hydrogenation reaction. The spent Pt1Co1/MIL‐100(Fe) catalyst could be regenerated at 200 °C, and regenerated catalysts displayed the similar 1,3‐BD conversion and butene selectivity with fresh catalysts. Moreover, the rate‐determining step of this reaction was hydrogen dissociation. The outstanding activity and total butene selectivity of the Pt1Co1/MIL‐100(Fe) catalyst illustrate that Pt−Co bimetallic catalysts are an ideal alternative for replacing mono‐noble‐metal‐based catalysts in selective 1,3‐BD hydrogenation reactions.