bluuebunny/crossref_metadata_2025_split huggingface dataset:
A ZIF‐8 Host for Dendrite‐Free Zinc Anodes and N,O Dual‐doped Carbon Cathodes for High‐Performance Zinc‐Ion Hybrid Capacitors
Authors: Lei Liling , Zheng Yiwei , Zhang Xichen , Su Yutian , Zhou Xi , Wu Shishan , Shen Jian 
Published: June 2021

AbstractZn is a promising anode for aqueous energy storage owing to it intrinsic superior properties such as large capacity, abundant reserves, low potential and safety. But, the growth of dendrites during charge and discharge leads to a decrease in reversibility. In addition, further development of zinc‐ion hybrid capacitors (ZICs) is seriously challenging because of the lack of an exceptional cathode. Herein, we use ZIF‐8 annealed at 500 °C (annealed ZIF‐8) as a host material for stable and dendrite‐free Zn anodes. Utilization of annealed ZIF‐8 results in dendrite‐free Zn deposition and stripping as a result of its porous construction, which contains trace Zn. Furthermore, we firstly proposed innovative N,O dual‐doped carbon which was designed by the derived ZIF‐8 (ZIF‐8 derived C) as cathode for high‐energy and power‐density ZICs. The new ZIC assembled by Zn@annealed ZIF‐8 anode and ZIF‐8 derived C cathode provides a capacity of 135.5 mAh g−1 and an energy density of 108.4 Wh kg−1 with a power density of 800 W kg−1 at 1.0 A g−1. In addition, it shows outstanding cycling stability of 91% capacity retention after 6000 cycles at 5.0 A g−1. Moreover, the solid‐state ZICs can drive LEDs and smart watches. This ZIC holds promise for the practical application of supercapacitors.
Chemo‐mechanistic multi‐scale model of a three‐dimensional tumor microenvironment to quantify the chemotherapy response of cancer
Authors: Nikmaneshi Mohammad R. , Firoozabadi Bahar , Mozafari Aliasghar 
Published: June 2021

AbstractExploring efficient chemotherapy would benefit from a deeper understanding of the tumor microenvironment (TME) and its role in tumor progression. As in vivo experimental methods are unable to isolate or control individual factors of the TME, and in vitro models often cannot include all the contributing factors, some questions are best addressed with mathematical models of systems biology. In this study, we establish a multi‐scale mathematical model of the TME to simulate three‐dimensional tumor growth and angiogenesis and then implement the model for an array of chemotherapy approaches to elucidate the effect of TME conditions and drug scheduling on controlling tumor progression. The hyperglycemic condition as the most common disorder for cancer patients is considered to evaluate its impact on cancer response to chemotherapy. We show that combining antiangiogenic and anticancer drugs improves the outcome of treatment and can decrease accumulation of the drug in normal tissue and enhance drug delivery to the tumor. Our results demonstrate that although both concurrent and neoadjuvant combination therapies can increase intratumoral drug exposure and therapeutic accuracy, neoadjuvant therapy surpasses this, especially against hyperglycemia. Our model provides mechanistic explanations for clinical observations of tumor progression and response to treatment and establishes a computational framework for exploring better treatment strategies.
Juveniles arrested for murder: A latent class analysis of male offenders
Authors: Fox Bryanna , Heide Kathleen , Khachatryan Norair , Michel Cedric , Cochran John 
Published: June 2021

AbstractResearchers and practitioners have a need for valid and generalizable typologies of juvenile homicide offenders (JHOs) to better understand the heterogeneous nature of JHOs, and use this knowledge to inform prevention efforts. Prior studies of JHOs have typically utilized a clinical approach, which is rich in data but based on small nonrepresentative samples, or relied on larger aggregate datasets which are more reliable but have few measures available. This study aimed to address these limitations by examining the latent heterogeneity (i.e. unapparent differences) in JHOs, their victims, and incident characteristics among more than 40,000 male JHOs arrested in the United States between 1976 and 2016 using latent class analysis, to allow for the objective identification of latent taxonomies. Six distinct subtypes of male JHOs are found in the analysis, which contributes to the theoretical and substantive knowledge base regarding JHOs, and may be used to develop and implement more effective interventions and violence prevention programs for these young offenders.
Exploring evolution of augmented and virtual reality education space in 2020 through systematic literature review
Authors: Noah Naheem , Das Sanchari 
Published: June 2021

AbstractResearch is increasingly being conducted to identify the benefits provided by the latest developments in the AR/VR domain, which has seen an increase in interest as a result of the stay‐at‐home phenomena in 2020. Of particular interest is the application of AR/VR to education, a discipline that has seen a rapid shift to online modules in 2020. To better understand the advancements in AR/VR enabled education, we conducted a systematic literature review consisting of papers published in the year 2020 that focused on AR/VR in the education sector. We particularly focused on papers where studies have evaluated user perceptions in different countries, academic fields, and at varied educational levels. We found that while most papers conducted user studies and evaluated the technical applications of AR/VR, user perceptions, impact, and awareness were not explored in detail. Our findings highlight trends that can drive critically needed innovations through AR/VR especially to help a globalized digital evolution in the education sector.
Discovery of the Class I Antimicrobial Lasso Peptide Arcumycin
Authors: Stariha Lydia M. , McCafferty Dewey G. 
Published: June 2021

AbstractLasso peptides are a structurally diverse superfamily of conformationally constrained peptide natural products, of which a subset exhibits broad antimicrobial activity. Although advances in bioinformatics have increased our knowledge of strains harboring the biosynthetic machinery for lasso peptide production, relating peptide sequence to bioactivity remains a continuous challenge. To this end, genome mining investigation of Actinobacteria‐produced antimicrobial lasso peptides was performed to correlate predicted structure with antibiotic activity. Bioinformatic evaluation revealed eight putative novel class I lasso peptide sequences. Fermentation of one of these hits, Streptomyces NRRL F‐5639, resulted in the production of a novel class I lasso peptide, arcumycin. Arcumycin exhibited antibiotic activity against Gram‐positive bacteria including Bacillus subtilis (4 μg/mL), Staphylococcus aureus (8 μg/mL), and Micrococcus luteus (8 μg/mL). Arcumycin treatment of B. subtilis liaI‐β‐gal promoter fusion reporter strain resulted in upregulation of the liaRS system by the promoter liaI, indicating arcumycin interferes with lipid II biosynthesis. Cumulatively, the results illustrate the relationship between phylogenetically related lasso peptides and their bioactivity as validated through the isolation, structural determination, and evaluation of bioactivity of the novel class I antimicrobial lasso peptide arcumycin.
Comparing Separation vs. Fresh Start to Assess Reusability of Pd/C Catalyst in Liquid‐Phase Hydrogenation
Authors: Mironenko Roman M. , Saybulina Elina R. , Trenikhin Mikhail V. , Izmailov Rinat R. , Lotsman Kristina A. , Rodygin Konstantin S. , Ananikov Valentine P. 
Published: June 2021

AbstractThe reusability of metal catalysts is a key issue for the potential application of new catalysts in research and industrial practice. The most common procedure for testing catalyst reusability in liquid‐phase heterogeneous reactions is based on separating a catalyst from a reaction mixture followed by the next run. An alternative procedure called “fresh start” consists of the addition of a new portion of reagents to the reaction mixture without any isolation operation. In this work, we compare both procedures in a model Pd/C‐catalyzed hydrogenation with different heteroatoms, e. g., O‐, S‐, and N‐vinyl derivatives. It was shown that regardless of whether the catalyst is stable or potentially poisoned during the reaction, both procedures lead to comparable results. It appears that a much easier implementation of a fresh start procedure may be an option of choice. The possibilities of using both procedures to rationalize the experimental protocol for assessing Pd/C catalyst reusability in liquid‐phase hydrogenations are discussed.
Electrosynthetic Screening and Modern Optimization Strategies for Electrosynthesis of Highly Value‐added Products
Authors: Dörr Maurice , Hielscher Maximilian M. , Proppe Jonny , Waldvogel Siegfried R 
Published: June 2021

AbstractInvited for this month's cover picture is the group of Siegfried R. Waldvogel at Johannes Gutenberg‐University in Mainz accompanied by Jonny Proppe at Georg‐August University in Göttingen. The cover picture shows three schemes illustrating the methods Principal Component Analysis, Machine Learning, and Design of Experiment as a representative of statistical methods to be used for optimization in electroorganic synthesis. The green power plug highlights the great potential of the combination of electrochemistry with these methods to propel the field to a highly sustainable future. All of the elements are backed with the contour plot of a mathematic model. Read the full text of the Minireview at 10.1002/celc.202100318.
Heterodinuclear Zn(II), Mg(II) or Co(III) with Na(I) Catalysts for Carbon Dioxide and Cyclohexene Oxide Ring Opening Copolymerizations
Authors: Lindeboom Wouter , Fraser Duncan A. X. , Durr Christopher B. , Williams Charlotte K. 
Published: June 2021

AbstractA series heterodinuclear catalysts, operating without co‐catalyst, show good performances for the ring opening copolymerization (ROCOP) of cyclohexene oxide and carbon dioxide. The complexes feature a macrocyclic ligand designed to coordinate metals such as Zn(II), Mg(II) or Co(III), in a Schiff base ‘pocket’, and Na(I) in a modified crown‐ether binding ‘pocket’. The 11 new catalysts are used to explore the influences of the metal combinations and ligand backbones over catalytic activity and selectivity. The highest performance catalyst features the Co(III)Na(I) combination, [N,N′‐bis(3,3’‐triethylene glycol salicylidene)‐1,2‐ethylenediamino cobalt(III) di(acetate)]sodium (7), and it shows both excellent activity and selectivity at 1 bar carbon dioxide pressure (TOF=1590 h−1, >99 % polymer selectivity, 1 : 10: 4000, 100 °C), as well as high activity at higher carbon dioxide pressure (TOF=4343 h−1, 20 bar, 1 : 10 : 25000). Its rate law shows a first order dependence on both catalyst and cyclohexene oxide concentrations and a zeroth order for carbon dioxide pressure, over the range 10–40 bar. These new catalysts eliminate any need for ionic or Lewis base co‐catalyst and instead exploit the coordination of earth‐abundant and inexpensive Na(I) adjacent to a second metal to deliver efficient catalysis. They highlight the potential for well‐designed ancillary ligands and inexpensive Group 1 metals to deliver high performance heterodinuclear catalysts for carbon dioxide copolymerizations and, in future, these catalysts may also show promise in other alternating copolymerization and carbon dioxide utilizations.
Synthesis of Difluoroglycine Derivatives from Amines, Difluorocarbene, and CO2: Computational Design, Scope, and Applications
Authors: Hayashi Hiroki , Takano Hideaki , Katsuyama Hitomi , Harabuchi Yu , Maeda Satoshi , Mita Tsuyoshi 
Published: June 2021

AbstractInvited for the cover of this issue are Satoshi Maeda, Tsuyoshi Mita, and co‐workers at ICReDD (Hokkaido University). The image depicts an Artificial Force Induced Reaction (AFIR) conducted on a supercomputer, which predicts a new chemical transformation and its application. Read the full text of the article at 10.1002/chem.202100812.
Operando Shell‐Isolated Nanoparticle‐Enhanced Raman Spectroscopy of the NO Reduction Reaction over Rhodium‐Based Catalysts
Authors: Ballotin Fabiane C. , Hartman Thomas , Koek Joris , Geitenbeek Robin G. , Weckhuysen Bert M. 
Published: June 2021

AbstractOperando shell‐isolated nanoparticle‐enhanced Raman spectroscopy (SHINERS) with on‐line mass spectrometry (MS) has been used to investigate the surface species, such as NO, NOH, NO2, N2O, and reaction products of the NO reduction reaction with CO and H2 over supported Rh‐based catalysts in the form of catalyst extrudates. By correlating surface intermediates and reaction products, new insights in the reaction mechanism could be obtained. Upon applying different reaction conditions (i. e., H2 or CO), the selectivity of the catalytic reaction could be tuned towards the formation of N2. Furthermore, in the absence of Rh, no reaction products were detected. The importance of the operando SHINERS as a surface‐sensitive characterization technique in the field of heterogeneous catalysis provides routes towards a better understanding of catalytic performance.
Strategic Approach Towards Plastic Waste Valorization: Challenges and Promising Chemical Upcycling Possibilities
Authors: Roy Pallabi Sinha , Garnier Gil , Allais Florent , Saito Kei 
Published: June 2021

AbstractPlastic waste, which is one of the major sources of pollution in the landfills and oceans, has raised global concern, primarily due to the huge production rate, high durability, and the lack of utilization of the available waste management techniques. Recycling methods are preferable to reduce the impact of plastic pollution to some extent. However, most of the recycling techniques are associated with different drawbacks, high cost and downgrading of product quality being among the notable ones. The sustainable option here is to upcycle the plastic waste to create high‐value materials to compensate for the cost of production. Several upcycling techniques are constantly being investigated and explored, which is currently the only economical option to resolve the plastic waste issue. This Review provides a comprehensive insight on the promising chemical routes available for upcycling of the most widely used plastic and mixed plastic wastes. The challenges inherent to these processes, the recent advances, and the significant role of the science and research community in resolving these issues are further emphasized.
Direct Transition‐Metal Free Benzene C−H Functionalization by Intramolecular Non‐Nitroarene Nucleophilic Aromatic Substitution of Hydrogen to Diverse AIEgens
Authors: Li Jinbiao , Zhang Shuaizhong , Lao Jiaxin , Zou Hongbin 
Published: June 2021

AbstractDirect C(sp2)−H functionalization through nitroarene‐triggered nucleophilic aromatic substitution of hydrogen (SNArH) has attracted growing attention, owing to its high efficiency and low carbon footprint. In this study, non‐nitro‐group‐assisted SNArH has been developed for direct benzene functionalization in one pot under mild conditions. The electron‐withdrawing carbonyl group and the halide or trifluoromethyl group on the phenyl ring enable the σH adduct formation to fulfill the intramolecular C(sp2)−C(sp3) bond construction. Notably, the cyano group serves as both the electron‐withdrawing group to activate the C(sp3)−H bond and the leaving group to fulfill the β‐elimination. Three series of pyrrolo[1,2‐b]isoquinolinones, as well as unexpected rearrangement products 3‐(1H‐pyrrol‐2‐yl)‐1H‐inden‐1‐ones are regioselectively obtained through a simple and efficient base‐catalyzed one‐pot strategy. Mechanistic studies indicate that the σH adduct from carbanion addition to hydrogen serves as the sole intermediate for all of the aforementioned transformations. These molecules show intense luminescence and the subsequent one‐step structural modification results in the aggregation‐induced emission (AIE) derivatives with redshifted full‐color tunable fluorescence, large Stokes shifts, and good quantum yields. Further living cell imaging investigations suggest their potential application as specific bioprobes for lipid droplet localization and visualization.
Spatial and temporal changes in occupancy frequency distribution patterns of freshwater macrophytes in Finland
Authors: Suhonen Jukka 
Published: June 2021

AbstractA useful method for characterizing biological numerous assemblages at regional scales is the species occupancy frequency distribution (SOFD). An SOFD shows the number or proportion of study sites each species occurred. Species that occur at only a few sites are termed satellite species, while species that occur at many sites are termed core species.This study is the first to document and assess SOFD patterns in aquatic macrophytes. It characterizes SOFD patterns of freshwater macrophyte assemblages in Finland at two spatial and two temporal scales. For this, I analyzed three published datasets on freshwater macrophyte distributions: two from studies conducted at a local scale and the third from large national surveys. One local study and the national study also included data on temporal variation in species occupancy frequencies.In the national study, the number of core and satellite species varied slightly between the older and the newer survey, respectively. Among the 113 waterbodies surveyed as part of the national study, the SOFD followed a unimodal satellite pattern. However, for the older dataset (from the 1930s), a bimodal symmetric pattern also fit the SOFD data well. At the local scale, I observed geographical variation in SOFD patterns. The dataset from southern Finland followed a unimodal satellite SOFD pattern; data from central Finland instead displayed a bimodal symmetric SOFD pattern, although they also fit equally well with a bimodal truncated pattern. Moreover, temporal patterns in central Finland seemed to demonstrate a shift from a bimodal symmetric to a bimodal asymmetric SOFD probably.Geographical variation in the SOFD pattern may be due to variation in the regional species pool. The temporal changes in SOFD pattern may be due to lake eutrophication and anthropogenic disturbance around waterbodies, which may increase number of macrophyte species.
Wildcards in climate change biology
Authors: Srivastava Diane S. , Coristine Laura , Angert Amy L. , Bontrager Megan , Amundrud Sarah L. , Williams Jennifer L. , Yeung Alex C. Y. , de Zwaan Devin R. , Thompson Patrick L. , Aitken Sally N. , Sunday Jennifer M. , O'Connor Mary I. , Whitton Jeannette , Brown Norah E. M. , MacLeod Colin D. , Parfrey Laura Wegener , Bernhardt Joey R. , Carrillo Juli , Harley Christopher D. G. , Martone Patrick T. , Freeman Benjamin G. , Tseng Michelle , Donner Simon D. 
Published: June 2021

AbstractForecasting how climate change will impact biological systems represents a grand challenge for biologists. However, climate change biology lacks an effective framework for anticipating and resolving uncertainty. Here, we introduce the concept of climate change wildcards: biological or bioclimatic processes with a high degree of uncertainty and a large impact on our ability to address the biotic consequences of climate change. Wildcards may occur at multiple points in the progression of research—from understanding, to predicting, to forecasting biological responses. Our understanding of biological responses is limited by the components and processes we exclude to make research tractable. Our ability to predict biological responses often requires integration between biological levels of organization, across multiple stressors, and from specific cases to general systems. However, these types of integration can be dramatically affected by, respectively, differences between biological levels in their critical points, nonadditivity of the effects of different stressors, and historical and geographic contingency. Finally, our ability to forecast biological responses to climate change requires incorporating climatic projections in bioclimatic models. Such forecasts are vulnerable to the compounding of biological and climatic uncertainty, especially when biological responses occur in novel areas of bioclimatic parameter space. Both biological responses and climate change are dynamic processes; the potential of biological systems to be buffered against or rescued from the effects of climate change depends on the relative timing of biological and climatic effects—one of the least predictable aspects of both systems. In sum, our framework identifies stress points in the research process where we should anticipate and forestall wildcards. Focusing on universal currencies, like energy and elements, and universal structures, like functional traits and ecological networks, will improve our ability to generalize results. Most importantly, by modeling and communicating uncertainty, climate change biology can identify critical foci for future research.
Sea otter population collapse in southwest Alaska: assessing ecological covariates, consequences, and causal factors
Authors: Tinker Martin Tim , Bodkin James L. , Bowen Lizabeth , Ballachey Brenda , Bentall Gena , Burdin Alexander , Coletti Heather , Esslinger George , Hatfield Brian B. , Kenner Michael C. , Kloecker Kimberly , Konar Brenda , Miles A. Keith , Monson Daniel H. , Murray Michael J. , Weitzman Benjamin P. , Estes James A. 
Published: June 2021

AbstractSea otter (Enhydra lutris) populations in southwest Alaska declined substantially between about 1990 and the most recent set of surveys in 2015. Here we report changes in the distribution and abundance of sea otters, and covarying patterns in reproduction, mortality, body size and condition, diet and foraging behavior, food availability, health profiles, and exposure to environmental contaminants over this 25‐yr period. The population decline, which resulted in densities on the order of 5% of environmental carrying capacity, ranged from Attu Island in the west to about Castle Cape (on the south side of the Alaska Peninsula) in the east. Remaining sea otters moved closer to shore and into shallow, protected habitats. Reproductive rates appeared unchanged with the decline. Although the demographic cause of the decline was clearly elevated mortality, stranded carcasses were rare or absent. The net rate of energy gain by foraging sea otters, body length and condition, and prey biomass density, all increased after the decline and varied inversely with sea otter population density beyond the area of decline. Sea otters within the area of decline showed no increases in health anomalies, disease, contaminant exposure, or abnormal gene transcription patterns as compared to animals outside the area of decline. These collective findings are inconsistent with nutritional limitation, disease, or environmental contaminants, and consistent with predation (or possibly some other density‐independent factor) as the reason for the sea otter population decline. Our approach and analyses provide a broad conceptual template for thinking about and assessing the causes of wildlife population declines.