bluuebunny/crossref_metadata_2025_split huggingface dataset:
Universal scaling relations for the rational design of molecular water oxidation catalysts with near-zero overpotential
Authors: Craig Michael John , Coulter Gabriel , Dolan Eoin , Soriano-López Joaquín , Mates-Torres Eric , Schmitt Wolfgang , García-Melchor Max 
Published: November 2019

AbstractA major roadblock in realizing large-scale production of hydrogen via electrochemical water splitting is the cost and inefficiency of current catalysts for the oxygen evolution reaction (OER). Computational research has driven important developments in understanding and designing heterogeneous OER catalysts using linear scaling relationships derived from computed binding energies. Herein, we interrogate 17 of the most active molecular OER catalysts, based on different transition metals (Ru, Mn, Fe, Co, Ni, and Cu), and show they obey similar scaling relations to those established for heterogeneous systems. However, we find that the conventional OER descriptor underestimates the activity for very active OER complexes as the standard approach neglects a crucial one-electron oxidation that many molecular catalysts undergo prior to O–O bond formation. Importantly, this additional step allows certain molecular catalysts to circumvent the “overpotential wall”, leading to enhanced performance. With this knowledge, we establish fundamental principles for the design of ideal molecular OER catalysts.
Evolutionary games on isothermal graphs
Authors: Allen Benjamin , Lippner Gabor , Nowak Martin A. 
Published: November 2019

AbstractPopulation structure affects the outcome of natural selection. These effects can be modeled using evolutionary games on graphs. Recently, conditions were derived for a trait to be favored under weak selection, on any weighted graph, in terms of coalescence times of random walks. Here we consider isothermal graphs, which have the same total edge weight at each node. The conditions for success on isothermal graphs take a simple form, in which the effects of graph structure are captured in the ‘effective degree’—a measure of the effective number of neighbors per individual. For two update rules (death-Birth and birth-Death), cooperative behavior is favored on a large isothermal graph if the benefit-to-cost ratio exceeds the effective degree. For two other update rules (Birth-death and Death-birth), cooperation is never favored. We relate the effective degree of a graph to its spectral gap, thereby linking evolutionary dynamics to the theory of expander graphs. Surprisingly, we find graphs of infinite average degree that nonetheless provide strong support for cooperation.
Programming emergent symmetries with saddle-splay elasticity
Authors: Xia Yu , DeBenedictis Andrew A. , Kim Dae Seok , Chen Shenglan , Kim Se-Um , Cleaver Douglas J. , Atherton Timothy J. , Yang Shu 
Published: November 2019

AbstractThe director field adopted by a confined liquid crystal is controlled by a balance between the externally imposed interactions and the liquid’s internal orientational elasticity. While the latter is usually considered to resist all deformations, liquid crystals actually have an intrinsic propensity to adopt saddle-splay arrangements, characterised by the elastic constant $${K}_{24}$$

K

24

. In most realisations, dominant surface anchoring treatments suppress such deformations, rendering $${K}_{24}$$

K

24

immeasurable. Here we identify regimes where more subtle, patterned surfaces enable saddle-splay effects to be both observed and exploited. Utilising theory and continuum calculations, we determine experimental regimes where generic, achiral liquid crystals exhibit spontaneously broken surface symmetries. These provide a new route to measuring $${K}_{24}$$

K

24

. We further demonstrate a multistable device in which weak, but directional, fields switch between saddle-splay-motivated, spontaneously-polar surface states. Generalising beyond simple confinement, our highly scalable approach offers exciting opportunities for low-field, fast-switching optoelectronic devices which go beyond current technologies.
Super-geometric electron focusing on the hexagonal Fermi surface of PdCoO2
Authors: Bachmann Maja D. , Sharpe Aaron L. , Barnard Arthur W. , Putzke Carsten , König Markus , Khim Seunghyun , Goldhaber-Gordon David , Mackenzie Andrew P. , Moll Philip J. W. 
Published: November 2019

AbstractGeometric electron optics may be implemented in solids when electron transport is ballistic on the length scale of a device. Currently, this is realized mainly in 2D materials characterized by circular Fermi surfaces. Here we demonstrate that the nearly perfectly hexagonal Fermi surface of PdCoO2 gives rise to highly directional ballistic transport. We probe this directional ballistic regime in a single crystal of PdCoO2 by use of focused ion beam (FIB) micro-machining, defining crystalline ballistic circuits with features as small as 250 nm. The peculiar hexagonal Fermi surface naturally leads to enhanced electron self-focusing effects in a magnetic field compared to circular Fermi surfaces. This super-geometric focusing can be quantitatively predicted for arbitrary device geometry, based on the hexagonal cyclotron orbits appearing in this material. These results suggest a novel class of ballistic electronic devices exploiting the unique transport characteristics of strongly faceted Fermi surfaces.
Active DNA unwinding and transport by a membrane-adapted helicase nanopore
Authors: Sun Ke , Zhao Changjian , Zeng Xiaojun , Chen Yuejia , Jiang Xin , Ding Xianting , Gou Lu , Xie Haiyang , Li Xinqiong , Zhang Xialin , Lin Sheng , Dou Linqin , Wei Long , Niu Haofu , Zhang Ming , Tian Ruocen , Sawyer Erica , Yuan Qingyue , Huang Yuqin , Chen Piaopiao , Zhao Chengjian , Zhou Cuisong , Ying Binwu , Shi Bingyang , Wei Xiawei , Jiang Ruotian , Zhang Lei , Lu Guangwen , Geng Jia 
Published: November 2019

AbstractNanoscale transport through nanopores and live-cell membranes plays a vital role in both key biological processes as well as biosensing and DNA sequencing. Active translocation of DNA through these nanopores usually needs enzyme assistance. Here we present a nanopore derived from truncated helicase E1 of bovine papillomavirus (BPV) with a lumen diameter of c.a. 1.3 nm. Cryogenic electron microscopy (cryo-EM) imaging and single channel recording confirm its insertion into planar lipid bilayer (BLM). The helicase nanopore in BLM allows the passive single-stranded DNA (ssDNA) transport and retains the helicase activity in vitro. Furthermore, we incorporate this helicase nanopore into the live cell membrane of HEK293T cells, and monitor the ssDNA delivery into the cell real-time at single molecule level. This type of nanopore is expected to provide an interesting tool to study the biophysics of biomotors in vitro, with potential applications in biosensing, drug delivery and real-time single cell analysis.
Single-digit-micrometer thickness wood speaker
Authors: Gan Wentao , Chen Chaoji , Kim Hyun-Tae , Lin Zhiwei , Dai Jiaqi , Dong Zhihua , Zhou Zhan , Ping Weiwei , He Shuaiming , Xiao Shaoliang , Yu Miao , Hu Liangbing 
Published: November 2019

AbstractThin films of several microns in thickness are ubiquitously used in packaging, electronics, and acoustic sensors. Here we demonstrate that natural wood can be directly converted into an ultrathin film with a record-small thickness of less than 10 μm through partial delignification followed by densification. Benefiting from this aligned and laminated structure, the ultrathin wood film exhibits excellent mechanical properties with a high tensile strength of 342 MPa and a Young’s modulus of 43.6 GPa, respectively. The material’s ultrathin thickness and exceptional mechanical strength enable excellent acoustic properties with a 1.83-times higher resonance frequency and a 1.25-times greater displacement amplitude than a commercial polypropylene diaphragm found in an audio speaker. As a proof-of-concept, we directly use the ultrathin wood film as a diaphragm in a real speaker that can output music. The ultrathin wood film with excellent mechanical property and acoustic performance is a promising candidate for next-generation acoustic speakers.
Functionalized azetidines via visible light-enabled aza Paternò-Büchi reactions
Authors: Becker Marc R. , Richardson Alistair D. , Schindler Corinna S. 
Published: November 2019

AbstractAzetidines are four-membered nitrogen-containing heterocycles that hold great promise in current medicinal chemistry due to their desirable pharmacokinetic effects. However, a lack of efficient synthetic methods to access functionalized azetidines has hampered their incorporation into pharmaceutical lead structures. As a [2+2] cycloaddition reaction between imines and alkenes, the aza Paternò-Büchi reaction arguably represents the most direct approach to functionalized azetidines. Hampered by competing reaction paths accessible upon photochemical excitation of the substrates, the current synthetic utility of these transformations is greatly restricted. We herein report the development of a visible light-enabled aza Paternò-Büchi reaction that surmounts existing limitations and represents a mild solution for the direct formation of functionalized azetidines from imine and alkene containing precursors.
A generalized Stark effect electromodulation model for extracting excitonic properties in organic semiconductors
Authors: Liu Taili , Foo Yishu , Zapien Juan Antonio , Li Menglin , Tsang Sai-Wing 
Published: November 2019

AbstractElectromodulation (EM) spectroscopy, a powerful technique to monitor the changes in polarizabilitypand dipole momentuof materials upon photo-excitation, can bring direct insight into the excitonic properties of materials. However, extracting Δpand Δufrom the electromodulation spectrum relies on fitting with optical absorption of the materials where optical effect in different device geometries might introduce large variation in the extracted values. Here, we demonstrate a systematic electromodulation study with various fitting approaches in both commonly adopted reflection and transmission device architectures. Strikingly, we have found that the previously ascribed continuum state threshold from the deviation between the measured and fitting results is questionable. Such deviation is found to be caused by the overlooked optical interference and electrorefraction effect. A generalized electromodulation model is proposed to incorporate the two effects, and the extracted Δpand Δuhave excellent consistency in both reflection and transmission modes in all organic film thicknesses.
Hierarchical nanostructured aluminum alloy with ultrahigh strength and large plasticity
Authors: Wu Ge , Liu Chang , Sun Ligang , Wang Qing , Sun Baoan , Han Bin , Kai Ji-Jung , Luan Junhua , Liu Chain Tsuan , Cao Ke , Lu Yang , Cheng Lizi , Lu Jian 
Published: November 2019

AbstractHigh strength and high ductility are often mutually exclusive properties for structural metallic materials. This is particularly important for aluminum (Al)-based alloys which are widely commercially employed. Here, we introduce a hierarchical nanostructured Al alloy with a structure of Al nanograins surrounded by nano-sized metallic glass (MG) shells. It achieves an ultrahigh yield strength of 1.2 GPa in tension (1.7 GPa in compression) along with 15% plasticity in tension (over 70% in compression). The nano-sized MG phase facilitates such ultrahigh strength by impeding dislocation gliding from one nanograin to another, while continuous generation-movement-annihilation of dislocations in the Al nanograins and the flow behavior of the nano-sized MG phase result in increased plasticity. This plastic deformation mechanism is also an efficient way to decrease grain size to sub-10 nm size for low melting temperature metals like Al, making this structural design one solution to the strength-plasticity trade-off.
Designing yeast as plant-like hyperaccumulators for heavy metals
Authors: Sun George L. , Reynolds Erin. E. , Belcher Angela M. 
Published: November 2019

AbstractHyperaccumulators typically refer to plants that absorb and tolerate elevated amounts of heavy metals. Due to their unique metal trafficking abilities, hyperaccumulators are promising candidates for bioremediation applications. However, compared to bacteria-based bioremediation systems, plant life cycle is long and growing conditions are difficult to maintain hindering their adoption. Herein, we combine the robust growth and engineerability of bacteria with the unique waste management mechanisms of plants by using a more tractable platform-the common baker’s yeast-to create plant-like hyperaccumulators. Through overexpression of metal transporters and engineering metal trafficking pathways, engineered yeast strains are able to sequester metals at concentrations 10–100 times more than established hyperaccumulator thresholds for chromium, arsenic, and cadmium. Strains are further engineered to be selective for either cadmium or strontium removal, specifically for radioactive Sr90. Overall, this work presents a systematic approach for transforming yeast into metal hyperaccumulators that are as effective as their plant counterparts.
An inhalable nanoparticulate STING agonist synergizes with radiotherapy to confer long-term control of lung metastases
Authors: Liu Yang , Crowe William N. , Wang Lulu , Lu Yong , Petty W. Jeffrey , Habib Amyn A. , Zhao Dawen 
Published: November 2019

AbstractMounting evidence suggests that the tumor microenvironment is profoundly immunosuppressive. Thus, mitigating tumor immunosuppression is crucial for inducing sustained antitumor immunity. Whereas previous studies involved intratumoral injection, we report here an inhalable nanoparticle-immunotherapy system targeting pulmonary antigen presenting cells (APCs) to enhance anticancer immunity against lung metastases. Inhalation of phosphatidylserine coated liposome loaded with STING agonist cyclic guanosine monophosphate–adenosine monophosphate (NP-cGAMP) in mouse models of lung metastases enables rapid distribution of NP-cGAMP to both lungs and subsequent uptake by APCs without causing immunopathology. NP-cGAMP designed for enhanced cytosolic release of cGAMP stimulates STING signaling and type I interferons production in APCs, resulting in the pro-inflammatory tumor microenvironment in multifocal lung metastases. Furthermore, fractionated radiation delivered to one tumor-bearing lung synergizes with inhaled NP-cGAMP, eliciting systemic anticancer immunity, controlling metastases in both lungs, and conferring long-term survival in mice with lung metastases and with repeated tumor challenge.
Memory effects of Eurasian land processes cause enhanced cooling in response to sea ice loss
Authors: Nakamura Tetsu , Yamazaki Koji , Sato Tomonori , Ukita Jinro 
Published: November 2019

AbstractAmplified Arctic warming and its relevance to mid-latitude cooling in winter have been intensively studied. Observational evidence has shown strong connections between decreasing sea ice and cooling over the Siberian/East Asian regions. However, the robustness of such connections remains a matter of discussion because modeling studies have shown divergent and controversial results. Here, we report a set of general circulation model experiments specifically designed to extract memory effects of land processes that can amplify sea ice–climate impacts. The results show that sea ice–induced cooling anomalies over the Eurasian continent are memorized in the snow amount and soil temperature fields, and they reemerge in the following winters to enhance negative Arctic Oscillation-like anomalies. The contribution from this memory effect is similar in magnitude to the direct effect of sea ice loss. The results emphasize the essential role of land processes in understanding and evaluating the Arctic–mid-latitude climate linkage.
Coordinated program between primary care and sleep unit for the management of obstructive sleep apnea
Authors: Mayos Mercè , Peñacoba Patricia , Pijoan Anna María Pedro , Santiveri Carme , Flor Xavier , Juvanteny Joan , Sampol Gabriel , Lloberes Patricia , Aoiz José Ignacio , Bayó Joan , Grau Núria , Fortuna Ana M. , Plaza Vicente , Llauger M. Antònia 
Published: November 2019

AbstractThe purpose of this study is to develop and validate a work model in the primary health-care setting for identifying patients with obstructive sleep apnea–hypopnea syndrome (OSAHS) based on clinical variables and an ambulatory sleep monitoring study. After screening, patients with mild–moderate OSAHS could be managed by primary care physicians, whereas those identified with severe OSAHS would be referred to specialists from sleep units for starting specific treatment. The proposed model does not move the entire health-care process to a generally overburdened primary care level and favors the coordinated work and the necessary flexibility to adapt the model to challenges and perspectives of OSAHS.
Gender similarities in the brain during mathematics development
Authors: Kersey Alyssa J. , Csumitta Kelsey D. , Cantlon Jessica F. 
Published: November 2019

AbstractSome scientists and public figures have hypothesized that women and men differ in their pursuit of careers in science, technology, engineering, and mathematics (STEM) owing to biological differences in mathematics aptitude. However, little evidence supports such claims. Some studies of children and adults show gender differences in mathematics performance but in those studies it is impossible to disentangle intrinsic, biological differences from sociocultural influences. To investigate the early biology of mathematics and gender, we tested for gender differences in the neural processes of mathematics in young children. We measured 3–10-year-old children’s neural development with functional magnetic resonance imaging (fMRI) during naturalistic viewing of mathematics education videos. We implemented both frequentist and Bayesian analyses that quantify gender similarities and differences in neural processes. Across all analyses girls and boys showed significant gender similarities in neural functioning, indicating that boys and girls engage the same neural system during mathematics development.
Stress and productivity patterns of interrupted, synergistic, and antagonistic office activities
Authors: Zaman Shaila , Wesley Amanveer , Silva Dennis Rodrigo Da Cunha , Buddharaju Pradeep , Akbar Fatema , Gao Ge , Mark Gloria , Gutierrez-Osuna Ricardo , Pavlidis Ioannis 
Published: November 2019

AbstractWe describe a controlled experiment, aiming to study productivity and stress effects of email interruptions and activity interactions in the modern office. The measurement set includes multimodal data for n = 63 knowledge workers who volunteered for this experiment and were randomly assigned into four groups: (G1/G2) Batch email interruptions with/without exogenous stress. (G3/G4) Continual email interruptions with/without exogenous stress. To provide context, the experiment’s email treatments were surrounded by typical office tasks. The captured variables include physiological indicators of stress, measures of report writing quality and keystroke dynamics, as well as psychometric scores and biographic information detailing participants’ profiles. Investigations powered by this dataset are expected to lead to personalized recommendations for handling email interruptions and a deeper understanding of synergistic and antagonistic office activities. Given the centrality of email in the modern office, and the importance of office work to people’s lives and the economy, the present data have a valuable role to play.
Complete Human Penile Scaffold for Composite Tissue Engineering: Organ Decellularization and Characterization
Authors: Tan Yu , Landford Wilmina N. , Garza Matthew , Suarez Allister , Zhou Zhengbing , Coon Devin 
Published: November 2019

AbstractReconstruction for total penile defects presents unique challenges due to its anatomical and functional complexity. Standard methods suffer from high complication rates and poor functional outcomes. In this work we have developed the first protocol for decellularizing whole-organ human penile specimens for total penile tissue engineering. The use of a hybrid decellularization scheme combining micro-arterial perfusion, urethral catheter perfusion and external diffusion enabled the creation of a full-size scaffold with removal of immunogenic components. Decellularization was complete as assessed by H&E and immunohistochemistry, while quantification of residual DNA showed acceptably low levels (<50 ng/mg). An intact ECM was maintained with histologic architecture preservation on H&E and SEM as well as preservation of key proteins such as collagen-1, laminin and fibronectin and retention of growth factors VEGF (45%), EGF (57%) and TGF-beta1 (42%) on ELISA. Post-decellularization patency of the cavernosal arteries for future use in reseeding was demonstrated. Scaffold biocompatibility was evaluated using human adipose-derived stromal vascular cells. Live/Dead stains showed the scaffold successfully supported cell survival and expansion. Influence on cellular behavior was seen with significantly higher expression of VWF, COL1, SM22 and Desmin as compared to cell monolayer. Preliminary evidence for regional tropism was also seen, with formation of microtubules and increased endothelial marker expression in the cavernosa. This report of successful decellularization of the complete human phallus is an initial step towards developing a tissue engineered human penile scaffold with potential for more successfully restoring cosmetic, urinary and sexual function after complete penile loss.
Neural oscillations during cognitive processes in an App knock-in mouse model of Alzheimer’s disease pathology
Authors: Jacob Sofia , Davies Gethin , De Bock Marijke , Hermans Bart , Wintmolders Cindy , Bottelbergs Astrid , Borgers Marianne , Theunis Clara , Van Broeck Bianca , Manyakov Nikolay V. , Balschun Detlef , Drinkenburg Wilhelmus H.I.M. 
Published: November 2019

AbstractMultiple animal models have been created to gain insight into Alzheimer’s disease (AD) pathology. Among the most commonly used models are transgenic mice overexpressing human amyloid precursor protein (APP) with mutations linked to familial AD, resulting in the formation of amyloid β plaques, one of the pathological hallmarks observed in AD patients. However, recent evidence suggests that the overexpression of APP by itself can confound some of the reported observations. Therefore, we investigated in the present study the AppNL-G-Fmodel, an App knock-in (App-KI) mouse model that develops amyloidosis in the absence of APP-overexpression. Our findings at the behavioral, electrophysiological, and histopathological level confirmed an age-dependent increase in Aβ1–42 levels and plaque deposition in these mice in accordance with previous reports. This had apparently no consequences on cognitive performance in a visual discrimination (VD) task, which was largely unaffected in AppNL-G-F mice at the ages tested. Additionally, we investigated neurophysiological functioning of several brain areas by phase-amplitude coupling (PAC) analysis, a measure associated with adequate cognitive functioning, during the VD task (starting at 4.5 months) and the exploration of home environment (at 5 and 8 months of age). While we did not detect age-dependent changes in PAC during home environment exploration for both the wild-type and the AppNL-G-F mice, we did observe subtle changes in PAC in the wild-type mice that were not present in the AppNL-G-F mice.