bluuebunny/crossref_metadata_2025_split huggingface dataset:
Near‐Field Investigation of Luminescent Hyperuniform Disordered Materials
Authors: Granchi Nicoletta , Spalding Richard , Lodde Matteo , Petruzzella Maurangelo , Otten Frank W. , Fiore Andrea , Intonti Francesca , Sapienza Riccardo , Florescu Marian , Gurioli Massimo 
Published: February 2022

AbstractDisordered photonic nanostructures have attracted tremendous interest in the past three decades, not only due to the fascinating and complex physics of light transport in random media, but also for peculiar functionalities in a wealth of interesting applications. Recently, the interest in dielectric disordered systems has received new inputs by exploiting the role of long‐range correlation within scatterer configurations. Hyperuniform photonic materials, that share features of photonic crystals and random systems, constitute the archetype of systems where light transport can be tailored from diffusive transport to a regime dominated by light localization due to the presence of photonic band gap. Here, advantage is taken of the combination of the hyperuniform disordered (HuD) design in slab photonics, the use of embedded quantum dots for feeding the HuD resonances, and near‐field hyperspectral imaging with sub‐wavelength resolution in the optical range to explore the transition from localization to diffusive transport. It is shown, theoretically and experimentally, that photonic HuD systems support resonances ranging from strongly localized modes to extended modes. It is demonstrated that Anderson‐like modes with high Q/V are created, with small footprint, intrinsically reproducible and resilient to fabrication‐induced disorder, paving the way for a novel photonic platform for quantum applications.
Revealing Donor–Acceptor Interaction on the Printed Active Layer Morphology and the Formation Kinetics for Nonfullerene Organic Solar Cells at Ambient Conditions
Authors: Jiang Xinyu , Chotard Pauline , Luo Kexun , Eckmann Felix , Tu Suo , Reus Manuel A. , Yin Shanshan , Reitenbach Julija , Weindl Christian L. , Schwartzkopf Matthias , Roth Stephan V. , Müller‐Buschbaum Peter 
Published: February 2022

AbstractSlot‐die coating is a powerful method for upscaling the production of organic solar cells (OSCs) with low energy consumption print processes at ambient conditions. Herein, chlorobenzene (CB) and chloroform (CF) are compared as host solvents for printing films of the neat novel fused‐ring unit based wide‐bandgap donor polymer (PDTBT2T‐FTBDT), the small molecule nonfullerene acceptor based on a fused ring with a benzothiadiazole core (BTP‐4F) as well as the respective PDTBT2T‐FTBDT:BTP‐4F blend films at room temperature in air. Using CF printing of the PDTBT2T‐FTBDT:BTP‐4F active layer, OSCs with a high power conversion efficiency of up to 13.2% are reached in ambient conditions. In comparison to CB printed blend films, the active layer printed out of CF has a superior morphology, a smoother film surface and a more pronounced face‐on orientation of the crystallites, which altogether result in an enhanced exciton dissociation, a superior charge transport, and suppressed nonradiative charge carrier recombination. Based on in situ studies of the slot‐die coating process of PDTBT2T‐FTBDT, BTP‐4F, and PDTBT2T‐FTBDT:BTP‐4F films, the details of the film formation kinetics are clarified, which cause the superior behavior for CF compared to CB printing due to balancing the aggregation and crystallization of donor and acceptor.
The R&D cost of climate mitigation in agriculture
Authors: Fuglie Keith , Ray Srabashi , Baldos Uris Lantz C. , Hertel Thomas W. 
Published: February 2022

AbstractAgriculture is responsible for 20%–25% of global emissions of greenhouse gases (GHG), which result from production practices and land use conversion. Supply‐side approaches for reducing emissions from agriculture rely on emissions‐saving technological change and environmental protection of carbon‐rich areas. This study investigates how productivity policies, in the form of higher agricultural research and development (R&D) spending, might affect GHG emissions from agriculture, and compares this to environmental policies that restrict agricultural land use or production practices that may cause environmental harm. Using simulations from a global economic model, we project outcomes in 2050 from a set of policy scenarios involving R&D and environmental policies, and combinations of the two. Outcomes of interest are net global GHG emissions, land use, agricultural production, food prices, the prevalence of food insecurity, and policy cost. We find that at the global level, more R&D spending to accelerate productivity growth reduces GHG emissions from land use change, but not as effectively as targeted environmental policies. However, accelerated productivity growth reduces the emissions intensity of agricultural production and, by lowering land rents, also reduces the cost of the environmental policy. Moreover, higher levels of productivity lower agricultural GHG emissions permanently, and by lowering global food prices, generally improve global food security. A policy scenario that is patterned after the EU Green Deal finds that policies that restrict agricultural factor inputs in order to reduce local environmental costs may, at the global level, increase agricultural GHG emissions and worsen food insecurity. These consequences could be avoided with higher EU R&D spending to accelerate agricultural productivity growth that is either factor neutral or biased toward saving production factors associated with negative environmental externalities.
The relative impact of socioeconomic position and frailty varies by population setting
Authors: Goodyer Elliot , Mah Jasmine C. , Rangan Apoorva , Chitalu Petronella , Andrew Melissa K. , Searle Samuel D. , Davis Daniel , Tsui Alex 
Published: February 2022

AbstractIntroductionFrailty and socioeconomic position (SEP) are well‐established determinants of health. However, we know less about the contributions of frailty and SEP in older adults, especially in acute settings. We set out to answer how frailty and SEP might influence health outcomes in older people, comparing a population sample and patients managed by a speciality acute frailty service.MethodsWe used the Delirium and Population Health Informatics Cohort, a population sample of 1510 individuals aged ≥70 years from the London Borough of Camden and 1750 acute frailty patients. SEP was determined using the Index of Multiple Deprivation. Linear and Cox proportional hazard regression models were conducted to assess SEP on frailty, readmission, and mortality outcomes.ResultsIn the population sample, SEP was significantly associated with frailty and mortality with successive increases in rate of death for each IMD quintile (HR = 1.28, 95% CI 1.11 to 1.49, P < 0.005). Increasing SEP, age, and admission status among hospitalized individuals were associated with greater frailty. For individuals seen by the speciality frailty service, SEP was not associated with frailty, mortality, or readmission.DiscussionWhen older people experience acute illness severe enough to require secondary care, particularly specialist services, this overcomes any prior advantages conferred by a higher SEP.
The prevalence and impact of orthostatic intolerance in young women across the hypermobility spectrum
Authors: Peebles Karen C. , Tan Isabella , Butlin Mark , Collins Felicity , Tofts Louise , Avolio Alberto P. , Pacey Verity 
Published: February 2022

AbstractOrthostatic intolerance (OI) is frequently reported in young women with generalized hypermobility spectrum disorder (G‐HSD) and hypermobile EDS (hEDS). However, it remains currently unclear whether OI is a comorbidity or fundamental part of the pathophysiology of G‐HSD or hEDS. This study investigated the prevalence and impact of OI in young women across the hypermobility spectrum. Forty‐five women (14–30 years, 15 controls, 15 G‐HSD, and 15 hEDS) undertook a head‐up tilt (HUT) and active stand test. Postural Orthostatic Tachycardia Syndrome (POTS) and Orthostatic Hypotension (OH) were assessed using age‐related criteria. Autonomic dysfunction and quality‐of‐life questionnaires were also completed. The prevalence of POTS was higher in women with G‐HSD than hEDS and control groups during HUT (43% vs. 7% and 7%, respectively, p < 0.05), but similar between groups during the active stand (47%, 27%, and 13% for G‐HSD, hEDS, and control, respectively). No participants had OH. hEDS and G‐HSD participants reported more severe orthostatic symptoms and poorer quality of life than controls. Although POTS was observed in hypermobile participants, there is no conclusive evidence that its prevalence differed between groups due to differences between the HUT and active stand assessments. Nevertheless, OI and broader autonomic dysfunction impacted on their quality of life.
Feeding postural behaviors and food geometric and material properties in bearded capuchin monkeys (Sapajus libidinosus)
Authors: Laird Myra F. , Punjani Zeenia , Oshay Rachel R. , Wright Barth W. , Fogaça Mariana Dutra , van Casteren Adam , Izar Patrícia , Visalberghi Elisabetta , Fragazy Dorothy , Strait David S. , Ross Callum F. , Wright Kristin A. 
Published: February 2022

AbstractObjectivesFoods that are geometrically and mechanically challenging to eat have been associated with specializations in feeding behavior and craniodental morphology across primates, and many of these foods are embedded, requiring a variety of positional behaviors during feeding. However, variation in positional behaviors in response to food properties is not well understood. Here, we examine differences in feeding postural behaviors across feeding events in relation to substrate and food geometric and material properties in a species of extractive foragers, bearded capuchins (Sapajus libidinosus).Methods and materialsWe coded over 1400 co‐occurring postural and feeding behaviors, their durations, and relative sizes of substrate and food from videos recorded at Fazenda Boa Vista in Gilbués, Piauí, Brazil. Food material properties were measured from foods collected at the time of the video recordings.ResultsOur results suggest that bearded capuchin feeding postures significantly differ across the feeding sequence, with substrate size, and between foods of high and low toughness and elastic modulus. Feeding postures were less variable for highly mechanically challenging foods. Food size also had a significant effect on postural behaviors. Large foods were more likely to be associated with suspended postures and small foods with sitting and squatting. Feeding postural behaviors were best explained by a combination of substrate and food variables.ConclusionsOur results indicate that food geometric and mechanical properties have a significant influence on feeding postural behaviors in bearded capuchins. We posit that feeding postural behaviors reflect a combination of substrate variables and food properties, and large, mechanically challenging foods have a limiting effect on postural variation.
Reductant‐Free Cross‐Electrophile Synthesis of Di(hetero)arylmethanes by Palladium‐Catalyzed Desulfinative C−C Coupling
Authors: McKnight Janette , Shavnya Andre , Sach Neal W. , Blakemore David C. , Moses Ian B. , Willis Michael C. 
Published: February 2022

AbstractAn efficient Pd‐catalyzed one‐pot desulfinative cross‐coupling to access medicinally relevant di(hetero)arylmethanes is reported. The method is reductant‐free, and involves a sulfinate transfer reagent and a Pd‐catalyst mediating the union of two electrophilic coupling partners; a (hetero)aryl halide and a benzyl halide. We establish for the first time that benzyl sulfinates, generated in situ, undergo efficient Pd‐catalyzed desulfinative cross‐coupling with (hetero)aryl halides to generate di(hetero)arylmethanes. The reaction can be extended to benzylic pseudohalides derived from benzyl alcohols. The reactions are straightforward to perform and scalable, and all reaction components are commercially available.
Directing Multivalent Aptamer‐Receptor Binding on the Cell Surface with Programmable Atom‐Like Nanoparticles
Authors: Guo Linjie , Zhang Yueyue , Wang Yue , Xie Mo , Dai Jiangbing , Qu Zhibei , Zhou Mo , Cao Shuting , Shi Jiye , Wang Lihua , Zuo Xiaolei , Fan Chunhai , Li Jiang 
Published: February 2022

AbstractMultivalent interactions of biomolecules play pivotal roles in physiological and pathological settings. Whereas the directionality of the interactions is crucial, the state‐of‐the‐art synthetic multivalent ligand–receptor systems generally lack programmable approaches for orthogonal directionality. Here, we report the design of programmable atom‐like nanoparticles (aptPANs) to direct multivalent aptamer–receptor binding on the cell interface. The positions of the aptamer motifs can be prescribed on tetrahedral DNA frameworks to realize atom‐like orthogonal valence and direction, enabling the construction of multivalent molecules with fixed aptamer copy numbers but different directionality. These directional‐yet‐flexible aptPAN molecules exhibit the adaptability to the receptor distribution on cell surfaces. We demonstrate the high‐affinity tumor cell binding with a linear aptPAN oligomer (≈13‐fold improved compared to free aptamers), which leads to ≈50 % suppression of cell growth.
Aqueous CO2 Reduction on Si Photocathodes Functionalized by Cobalt Molecular Catalysts/Carbon Nanotubes
Authors: Wen Zhibing , Xu Suxian , Zhu Yong , Liu Guoquan , Gao Hua , Sun Licheng , Li Fei 
Published: February 2022

AbstractPhotoelectrochemical reduction of CO2 is a promising approach for renewable fuel production. We herein report a novel strategy for preparation of hybrid photocathodes by immobilizing molecular cobalt catalysts on TiO2‐protected n+‐p Si electrodes (Si|TiO2) coated with multiwalled carbon nanotubes (CNTs) by π–π stacking. Upon loading a composite of CoII(BrqPy) (BrqPy=4′,4′′‐bis(4‐bromophenyl)‐2,2′ : 6′,2′′ : 6′′,2′′′‐quaterpyridine) catalyst and CNT on Si|TiO2, a stable 1‐Sun photocurrent density of −1.5 mA cm−2 was sustained over 2 h in a neutral aqueous solution with unity Faradaic efficiency and selectivity for CO production at a bias of zero overpotential (−0.11 V vs. RHE), associated with a turnover frequency (TOFCO) of 2.7 s−1. Extending the photoelectrocatalysis to 10 h, a remarkable turnover number (TONCO) of 57000 was obtained. The high performance shown here is substantially improved from the previously reported photocathodes relying on covalently anchored catalysts.
Theoretical Optimization of Compositions of High‐Entropy Oxides for the Oxygen Evolution Reaction**
Authors: Svane Katrine L. , Rossmeisl Jan 
Published: February 2022

AbstractHigh‐entropy oxides are oxides consisting of five or more metals incorporated in a single lattice, and the large composition space suggests that properties of interest can be readily optimised. For applications within catalysis, the different local atomic environments result in a distribution of binding energies for the catalytic intermediates. Using the oxygen evolution reaction on the rutile (110) surface as example, here we outline a strategy for the theoretical optimization of the composition. Density functional theory calculations performed for a limited number of sites are used to fit a model that predicts the reaction energies for all possible local atomic environments. Two reaction pathways are considered; the conventional pathway on the coordinatively unsaturated sites and an alternative pathway involving transfer of protons to a bridging oxygen. An explicit model of the surface is constructed to describe the interdependency of the two pathways and identify the composition that maximizes catalytic activity.
Colloidal Bismuth Chalcohalide Nanocrystals
Authors: Quarta Danila , Toso Stefano , Giannuzzi Roberto , Caliandro Rocco , Moliterni Anna , Saleh Gabriele , Capodilupo Agostina‐Lina , Debellis Doriana , Prato Mirko , Nobile Concetta , Maiorano Vincenzo , Infante Ivan , Gigli Giuseppe , Giannini Cinzia , Manna Liberato , Giansante Carlo 
Published: February 2022

AbstractHere we present a colloidal approach to synthesize bismuth chalcohalide nanocrystals (BiEX NCs, in which E=S, Se and X=Cl, Br, I). Our method yields orthorhombic elongated BiEX NCs, with BiSCl crystallizing in a previously unknown polymorph. The BiEX NCs display a composition‐dependent band gap spanning the visible spectral range and absorption coefficients exceeding 105 cm−1. The BiEX NCs show chemical stability at standard laboratory conditions and form colloidal inks in different solvents. These features enable the solution processing of the NCs into robust solid films yielding stable photoelectrochemical current densities under solar‐simulated irradiation. Overall, our versatile synthetic protocol may prove valuable in accessing colloidal metal chalcohalide nanomaterials at large and contributes to establish metal chalcohalides as a promising complement to metal chalcogenides and halides for applied nanotechnology.
Using species distribution modelling to identify ‘coldspots’ for conservation of freshwater fishes under a changing climate
Authors: Stewart Barbara A. , Ford Benjamin M. , Benson Justin A. 
Published: February 2022

AbstractLike other Mediterranean regions, south‐western Australia is predicted to experience an increase in temperature and drought conditions as a result of climate change, leading to altered species distributions. This study provides the first assessment of the effectiveness of the reserve system in Australia for conserving native freshwater fish by considering the congruence between protected areas and potential climate refugia in a global biodiversity hotspot.Using species distribution modelling, exposure to climate change was predicted for 13 native fish taxa, and priority areas (refugia) for fish conservation were identified by overlapping the present and future suitable climate envelopes of these taxa. Areas with climate refugia for >70% of the native freshwater fish fauna were recognized as ‘coldspots’.Two taxa were predicted to lose all suitable climate in the region by 2080, and five other taxa were predicted to lose >80% of their area of suitable climate. A ‘coldspot’ was identified consisting of a core area where >80% of taxa were predicted to persist and a larger surrounding area where >70% of taxa were predicted to persist.Although 93% of the core area of the coldspot is at present contained within the established protected areas network, only 26% of the surrounding area is contained within reserve boundaries. Future conservation actions, including the design and implementation of the protected area network, should take this coldspot into consideration.
Racism, structural racism, and the American Association for Anatomy: Initial report from a task force
Authors: Sumner Dale R. , Hildebrandt Sabine , Nesbitt Allison , Carroll Melissa A. , Smocovitis Vassiliki B. , Laitman Jeffrey T. , Beresheim Amy C. , Ramnanan Christopher J. , Blakey Michael L. 
Published: February 2022

AbstractIn 2021, the American Association for Anatomy (AAA) Board of Directors appointed a Task Force on Structural Racism to understand how the laws, rules, and practices in which the Association formed, developed and continues to exist affect membership and participation. This commentary is the first public report from the Task Force. We focus on African Americans with some comments on Jews and women, noting that all marginalized groups deserve study. Through much of its 130 year history, some members were an essential part of perpetuating racist ideas, the Association largely ignored racism and had some practices that prevented participation. The Task Force concluded that individual and structural racism within the AAA, combined with the broader social context in which the Association developed, contributed to the current underrepresentation of African Americans who constitute 4.1% of the membership even though 13.4% of the U.S. population is Black. Intentional efforts within the AAA to reckon with racism and other forms of bias have only begun in the last 10–20 years. These actions have led to more diverse leadership within the Association, and it is hoped that these changes will positively affect the recruitment and retention of marginalized people to science in general and anatomy in particular. The Task Force recommends that the AAA Board issue a statement of responsibility to acknowledge its history. Furthermore, the Task Force advocates that the Board commit to (a) sustaining ongoing projects to improve diversity, equity, and inclusion and (b) dedicating additional resources to facilitate novel initiatives.
Phenyl Selenide‐Based Precursors as Hydrogen Peroxide Inducible DNA Interstrand Cross‐Linkers
Authors: Yu Dehao , Fan Heli , Sun Jing , Xue Li , Wang Luo , Jia Yuanyuan , Tian Junyu , Sun Huabing 
Published: February 2022

AbstractDNA interstrand crosslinks (ICLs) are highly toxic DNA lesions, and induce cell death by blocking DNA strand separation. Most ICL agents aiming to kill cancer cells, also generate adverse side effects to normal cells. H2O2‐inducible DNA ICL agents are highly selective for targeting cancer cells, as the concentration of H2O2 is higher in cancer cells than normal cells. Previous studies have focused on arylboronate‐based precursors, reacting with H2O2 to generate reactive quinone methides (QMs) crosslinking DNA. Here we explore phenyl selenide‐based precursors 1–3 as H2O2‐inducible DNA ICL agents. The precursors 1–3 can be activated by H2O2 to generate the good benzylic leaving group and promote production of reactive QMs to crosslink DNA. Moreover, the DNA cross‐linking ability is enhanced by the introduction of substituents in the para‐position of the phenolic hydroxyl group. From the substituents explored (H, OMe, F), the introduction of electron donating group (OMe) shows a pronounced elevating effect. Further mechanistic studies at the molecular and DNA levels confirm alkylation sites located mainly at dAs, dCs and dGs in DNA. Additionally, cellular experiments reveal that agents 1–3 exhibit higher cytotoxicity toward H1299 human lung cancer cells compared to clinically used drugs, by inducing cellular DNA damage, apoptosis and G0/G1 cell cycle arrest. This study provides a strategy to develop H2O2‐inducible DNA interstrand cross‐linkers.
Thiourea‐ and Amino‐Substituted Benzoxadiazole Dyes with Large Stokes Shifts as Red‐Emitting Probe Monomers for Imprinted Polymer Layers Targeting Carboxylate‐Containing Antibiotics
Authors: Valderrey Virginia , Gawlitza Kornelia , Rurack Knut 
Published: February 2022

AbstractBifunctional fluorescent molecular oxoanion probes based on the benzoxadiazole (BD) chromophore are described which integrate a thiourea binding motif and a polymerizable 2‐aminoethyl methacrylate unit in the 4,7‐positions of the BD core. Concerted charge transfer in this electron donor‐acceptor‐donor architecture endows the dyes with strongly Stokes shifted (up to >250 nm) absorption and fluorescence. Binding of electron‐rich carboxylate guests at the thiourea receptor leads to further analyte‐induced red‐shifts of the emission, shifting the fluorescence maximum of the complexes to ≥700 nm. Association constants for acetate are ranging from 1–5×105 M−1 in acetonitrile. Integration of one of the fluorescent probes through its polymerizable moiety into molecularly imprinted polymers (MIPs) grafted from the surface of submicron silica cores yielded fluorescent MIP‐coated particle probes for the selective detection of antibiotics containing aliphatic carboxylate groups such as enoxacin (ENOX) at micromolar concentrations in highly polar solvents like acetonitrile.