bluuebunny/crossref_metadata_2025_split huggingface dataset:
Large‐Area Covalent Organic Polymers Membrane via Sol–Gel Approach for Harvesting the Salinity Gradient Energy
Authors: Zhang Caili , Xiao Tianliang , Lu Bingxin , He Jianwei , Wang Yuting , Zhai Jin 
Published: March 2022

AbstractMany materials with nanofluidic channels are exploited to achieve salinity gradient energy conversion. However, most materials are fragile, difficult to process, or only prepared into a limited size, which greatly restricts their practical application in the future. Herein, a covalent organic polymers membrane with high mechanical property and stability is fabricated, which can keep integrity in harsh conditions for up to 1 month. In addition, by using the sol–gel approach, a large‐area membrane with an area of 26 × 26 cm is expediently fabricated in lab conditions. When the membrane is applied to salinity gradient energy conversion, the maximum output power density is up to 6.21 W m−2. This work provides a simple method for the fabrication of large‐area membrane for salinity gradient energy conversion in future real‐world applications.
The Road to Achieving the European Commission's Chemicals Strategy for Nanomaterial Sustainability—A PATROLS Perspective on New Approach Methodologies
Authors: Doak Shareen H. , Clift Martin J. D. , Costa Anna , Delmaar Christiaan , Gosens Ilse , Halappanavar Sabina , Kelly Sean , Pejinenburg Willie J. G. M. , Rothen‐Rutishauser Barbara , Schins Roel P. F. , Stone Vicki , Tran Lang , Vijver Martina G. , Vogel Ulla , Wohlleben Wendel , Cassee Flemming R. 
Published: March 2022

AbstractThe European Green Deal outlines ambitions to build a more sustainable, climate neutral, and circular economy by 2050. To achieve this, the European Commission has published the Chemicals Strategy for Sustainability: Towards a Toxic‐Free Environment, which provides targets for innovation to better protect human and environmental health, including challenges posed by hazardous chemicals and animal testing. The European project PATROLS (Physiologically Anchored Tools for Realistic nanOmateriaL hazard aSsessment) has addressed multiple aspects of the Chemicals Strategy for Sustainability by establishing a battery of new approach methodologies, including physiologically anchored human and environmental hazard assessment tools to evaluate the safety of engineered nanomaterials. PATROLS has delivered and improved innovative tools to support regulatory decision‐making processes. These tools also support the need for reducing regulated vertebrate animal testing; when used at an early stage of the innovation pipeline, the PATROLS tools facilitate the safe and sustainable development of new nano‐enabled products before they reach the market.
Boosting Oxygen Reduction for High‐Efficiency H2O2 Electrosynthesis on Oxygen‐Coordinated CoNC Catalysts
Authors: Shen Hangjia , Qiu Nianxiang , Yang Liu , Guo Xuyun , Zhang Kun , Thomas Tiju , Du Shiyu , Zheng Qifu , Attfield J. Paul , Zhu Ye , Yang Minghui 
Published: March 2022

AbstractAtomically dispersed CoNC is a promising material for H2O2 selective electrosynthesis via a two‐electron oxygen reduction reaction. However, the performance of typical CoNC materials with routine CoN4 active center is insufficient and needs to be improved further. This can be done by fine‐tuning its atomic coordination configuration. Here, a single‐atom electrocatalyst (Co/NC) is reported that comprises a specifically penta‐coordinated CoNC configuration (OCoN2C2) with Co center coordinated by two nitrogen atoms, two carbon atoms, and one oxygen atom. Using a combination of theoretical predictions and experiments, it is confirmed that the unique atomic structure slightly increases the charge state of the cobalt center. This optimizes the adsorption energy towards *OOH intermediate, and therefore favors the two‐electron ORR relevant for H2O2 electrosynthesis. In neutral solution, the as‐synthesized Co/NC exhibits a selectivity of over 90% over a potential ranging from 0.36 to 0.8 V, with a turnover frequency value of 11.48 s−1; thus outperforming the state‐of‐the‐art carbon‐based catalysts.
Single atom and defect engineering of CuO for efficient electrochemical reduction of CO2 to C2H4
Authors: Chu Senlin , Kang Changwoo , Park Woonghyeon , Han Yu , Hong Song , Hao Leiduan , Zhang Hao , Lo Tsz Woon Benedict , Robertson Alex W. , Jung Yousung , Han Buxing , Sun Zhenyu 
Published: March 2022

AbstractElectrochemical CO2 transformation to high‐value ethylene (C2H4) at high currents and efficiencies is desired and yet remains a grand challenge. We show for the first time that coupling single Sb atoms and oxygen vacancies of CuO enable synergistic electrocatalytic reduction of CO2 to C2H4 at low overpotentials. Highly dispersed Sb atoms occupying metal substitutional sites of CuO are synthesized under mild conditions. The overall CO2 reduction faradaic efficiency (FE) reaches 89.3 ± 1.1% with an FE toward C2H4 exceeding 58.4% at a high‐current density of 500 mA/cm2. Addition of the p‐block metal is found to induce transformation of CuO from flakes to nanoribbons rich in nanoholes and oxygen vacancies, greatly enhancing CO2 adsorption and activation while suppressing hydrogen evolution. Further density functional theory calculations with in situ X‐ray diffraction reveal that combining Sb sites and oxygen vacancies prominently lessen the dimerization energy of adsorbed CO intermediate, thus boosting the conversion of CO2 to produce C2H4. This study provides a new perspective for promoting selective C–C coupling for electrochemical CO2 reduction.
Early Jurassic coprolites: insights into palaeobotany and the feeding behaviour of dinosaurs
Authors: Barbacka Maria , Górecki Artur , Pacyna Grzegorz , Pieńkowski Grzegorz , Philippe Marc , Bóka Károly , Ziaja Jadwiga , Jarzynka Agata , Qvarnström Martin , Niedźwiedzki Grzegorz 
Published: March 2022

AbstractAnalyses of coprolites provide important data on animal feeding and food quality, including information on the taxonomy of the biotope. Knowledge of the diet of extinct animals has implications for our understanding of the evolution of various physiological strategies and feeding adaptations. Here we provide the first description of plant remains preserved in coprolites from early Hettangian deposits at Sołtyków (Holy Cross Mountains, Poland). The coprolites probably originated from herbivorous sauropodomorphs, ornithischians and large carnivorous theropods, from which tracks are known from the site. Herbivorous coprolite producers fed on the flora growing on a fluvial plain, and the cuticles that remain in the coprolites originated from crowns of gymnospermous trees or shrubs. Coprolites assigned to large predators contained more diverse plant remains, although they also belonged to the gymnosperms. These were probably ingested together with the stomachs and intestines of prey animals and/or accidentally while drinking or feeding. The plant cuticles originated from seed ferns (including the newly proposedKomlopteris distinctivaBarbacka sp. nov.), cycadophytes, ginkgophytes and conifers. A fragment of a needle leaf,Aciphyllum triangulatumBarbacka & Górecki gen. et sp. nov., is very similar to the leaves ofPinus, and is the oldest example of such a leaf type in the fossil record. Most ingested plants came from beyond the immediate surroundings of today’s outcrop. Palynological analysis of the coprolites yielded 31 taxa of sporomorphs from the herbivore coprolites and 14 sporomorph taxa from the coprolites of predators. Cheirolepidiaceous pollen grains ofClassopollis torosusdominated the sporomorph assemblage.
Ressourcen‐ und Emissionseffizienz im Brückenbau am Beispiel der Campusbrücke Leverkusen
Authors: Halaczek Bartlomiej , Nowak Jana , Helbig Thorsten , Riederer Jochen , van Acken Ulrich , Neubauer Hendrik 
Published: March 2022

AbstractDas Bauwesen ist weltweit einer der größten Verursacher von klimaschädlichen CO2‐Emissionen. Lösungen für den Weg hin zum klimaneutralen Bauen und Betreiben sind nur durch eine ganzheitliche Auseinandersetzung zu finden, die auch den Umgang mit Ressourcen mit einschließt. Dies umfasst Fragen von Notwendigkeit und Ausmaß eines Bauwerks (build less) über eine geplante Wiederverwendung von Bauteilkomponenten und angestrebte Materialreduzierung im Entwurfsprozess (build clever) bis hin zur Auswahl der Materialien basierend auf der Berücksichtigung der baustoffspezifischen grauen Emissionen (build efficiently) in einem möglichst geschlossenen Material‐Kreislaufsystem (minimise waste). Eine einheitliche Bewertung der Ressourcen‐ und Emissionseffizienz von Brückenbauwerken ist aufgrund des Fehlens international abgestimmter Regelungen derzeit noch nicht abbildbar. Am Beispiel der Campusbrücke in Leverkusen‐Opladen, einer 2013 erbauten Fußgängerbrücke, werden verschiedene praktische Ansätze vorgestellt, die zu einer Emissionsreduktion und Ressourcenschonung beigetragen haben. Anhand einer Lebenszyklusanalyse (LCA) wird das gewählte Tragwerk einer alternativen Ausführung gegenübergestellt.
Research on the bending damage of concrete in areas with large temperature differences based on 3D‐Digital Image Correlation
Authors: Shi Jinna , Zhao Yanru , Bai Jianwen , He Xiaoyan 
Published: March 2022

AbstractDigital Image Correlation (DIC) technique is used to collect the whole‐field strain of concrete subjected to bending loads under different temperature change cycles, cooling rates, and water‐binder ratio. The bending damage behavior of concrete under large‐difference temperature circulation is analyzed with the whole‐field strain cloud map and data. In addition, with the whole‐field strain obtained by 3D‐DIC technology, the strain‐based damage variable is defined. Furthermore, the damage degree of concrete specimen in the bending process is quantified, and the bending damage evolution process of concrete under the action of temperature circulation is discussed. The results show that the damage of concrete in areas with large temperature differences is related to the number of temperature change cycles as well as the cooling rate. Moreover, the increase in the number of temperature change cycles and the cooling rate will aggravate the bending damage of the concrete. Additionally, the higher the water‐binder ratio, the more serious the adverse effect of temperature circulation on the concrete. This paper provide certain reference for the evaluation of concrete bending deformation damage in areas with a large temperature difference.
Free and open source software for computational chemistry education
Authors: Lehtola Susi , Karttunen Antti J. 
Published: March 2022

AbstractAfter decades of waiting, computational chemistry for the masses is finally here. Our brief review on free and open source software (FOSS) packages points out the existence of software offering a wide range of functionality, all the way from approximate semiempirical calculations with tight‐binding density functional theory to sophisticated ab initio wave function methods such as coupled‐cluster theory, covering both molecular and solid‐state systems. Combined with the remarkable increase in the computing power of personal devices, which now rivals that of the fastest supercomputers in the world in the 1990s, we demonstrate that a decentralized model for teaching computational chemistry is now possible thanks to FOSS packages, enabling students to perform reasonable modeling on their own computing devices in the bring your own device (BYOD) scheme. FOSS software can be made trivially simple to install and keep up to date, eliminating the need for departmental support, and also enables comprehensive teaching strategies, as various algorithms' actual implementations can be used in teaching. We exemplify what kinds of calculations are feasible with four FOSS electronic structure programs, assuming only extremely modest computational resources, to illustrate how FOSS packages enable decentralized approaches to computational chemistry education within the BYOD scheme. FOSS also has further benefits driving its adoption: the open access to the source code of FOSS packages democratizes the science of computational chemistry, and FOSS packages can be used without limitation also beyond education, in academic and industrial applications, for example.This article is categorized under:Software > Quantum Chemistry
Bimetallic Organoplatinum(II)‐Ag(I) Cluster Cations with Ag−Pt Interactions Unsupported by Conventional Bridging Ligands
Authors: Raven William , Kalf Irmgard , Paulmann Carsten , Englert Ulli 
Published: March 2022

AbstractThe organoplatinum complex of a primary amine and AgClO4 aggregate in methanol to oligonuclear mixed‐metal species. A perchlorate salt 3 with the empirical formula C96H146Ag7Cl13N12O62Pt6 could be isolated and structurally characterized with the help of X‐ray diffraction at the DESY synchrotron. The product contains both a penta‐ and a tetra‐nuclear complex cation in which Ag(I) and Pt(II) alternate, held together without any conventional bridge. The cationic species feature short Ag⋅⋅⋅Pt distances between 2.7 and 2.9 Å and contacts longer than 2.4 Å between Ag and C atoms in aromatic rings. In addition to the interactions with Ag(I) cations, Pt(II) is in a square‐planar arrangement, coordinated by a chelating and a terminal amine and an aqua ligand. The central Ag(I) in the pentanuclear cation is located on a twofold crystallographic axis and not involved in any obvious coordinative bond; it exclusively shows short contacts to the neighboring Pt(II) ions and the Pt‐bonded, formally anionic carbon atoms of the cyclometallated organic ligand. Powder diffraction shows that 3 melts and re‐solidifies without decomposition.
The radial action from probe amplitudes to all orders
Authors: Kol Uri , O’Connell Donal , Telem Ofri 
Published: March 2022

Abstract
We extract the relativistic classical radial action from scattering amplitudes, to all orders in perturbation theory, in the probe limit. Our sources include point charges and monopoles, as well as the Schwarzschild and pure-NUT gravitational backgrounds. A characteristic relativistic effect, that scattering trajectories may wind around these sources any number of times, can be recovered when all-order amplitudes are available. We show that the amplitude for scattering a probe off a pure NUT is given by the solution of a transcendental equation involving continued fractions, and explain how to solve this equation to any desired loop order.
Simulation-based design of flank face modification for the milling of Ti-6Al-4V and Inconel 718
Authors: Denkena Berend , Bergmann Benjamin , Worpenberg Sebastian 
Published: March 2022

AbstractThe milling of titanium and nickel-based alloys leads to high tool wear due to the high thermomechanical load on the tool. By modifying the flank face on end mills, it is possible to limit the increase in the width of flank wear land, thus increasing tool life, component quality and increasing the allowable productivity of the tools. The flank face modification is characterized by the width and depth of the undercut and the rounding in the undercut of the modification. Through a simulation-based approach, a method is created to design the flank face modification in a load-optimized way and thus to use the full potential in the respective application cases.
Permutability of matrices over bipotent semirings
Authors: Aird Thomas , Kambites Mark 
Published: March 2022

AbstractWe study permutability properties of matrix semigroups over commutative bipotent semirings (of which the best-known example is the tropical semiring). We prove that every such semigroup is weakly permutable (a result previous stated in the literature, but with an erroneous proof) and then proceed to study in depth the question of when they are strongly permutable (which turns out to depend heavily on the semiring). Along the way we classify monogenic bipotent semirings and describe all isomorphisms between truncated tropical semirings.
Estimating peanut and soybean photosynthetic traits using leaf spectral reflectance and advance regression models
Authors: Buchaillot Ma. Luisa , Soba David , Shu Tianchu , Liu Juan , Aranjuelo Iker , Araus José Luis , Runion G. Brett , Prior Stephen A. , Kefauver Shawn C. , Sanz-Saez Alvaro 
Published: March 2022

Abstract
Main conclusion
By combining hyperspectral signatures of peanut and soybean, we predicted Vcmax and Jmax with 70 and 50% accuracy. The PLS was the model that better predicted these photosynthetic parameters.

Abstract
One proposed key strategy for increasing potential crop stability and yield centers on exploitation of genotypic variability in photosynthetic capacity through precise high-throughput phenotyping techniques. Photosynthetic parameters, such as the maximum rate of Rubisco catalyzed carboxylation (Vc,max) and maximum electron transport rate supporting RuBP regeneration (Jmax), have been identified as key targets for improvement. The primary techniques for measuring these physiological parameters are very time-consuming. However, these parameters could be estimated using rapid and non-destructive leaf spectroscopy techniques. This study compared four different advanced regression models (PLS, BR, ARDR, and LASSO) to estimate Vc,max and Jmax based on leaf reflectance spectra measured with an ASD FieldSpec4. Two leguminous species were tested under different controlled environmental conditions: (1) peanut under different water regimes at normal atmospheric conditions and (2) soybean under high [CO2] and high night temperature. Model sensitivities were assessed for each crop and treatment separately and in combination to identify strengths and weaknesses of each modeling approach. Regardless of regression model, robust predictions were achieved for Vc,max (R2 = 0.70) and Jmax (R2 = 0.50). Field spectroscopy shows promising results for estimating spatial and temporal variations in photosynthetic capacity based on leaf and canopy spectral properties.
An extended Boussinesq theory for interfacial fluid mechanics
Authors: Forbes Lawrence K. , Turner Ross J. , Walters Stephen J. 
Published: March 2022

AbstractBoussinesq theory can model quite accurately viscous flows that involve multiple fluids with interfaces between them, so long as there is not much difference between the densities of the various fluids. However, the Boussinesq approximation is generally poor when the density ratio between the fluids is large. Here, we propose an Extended Boussinesq approximate equation, that allows for large density ratios, while still remaining straightforward to implement. Examples are given for planar Rayleigh–Taylor instability, where the Boussinesq and the novel Extended Boussinesq models are compared with the predictions of an SPH fluid dynamics code, to confirm this approach.
When local impedance meets contact force: preliminary experience from the CHARISMA registry
Authors: Solimene Francesco , De Sanctis Valerio , Maggio Ruggero , Malacrida Maurizio , Segreti Luca , Anselmino Matteo , Schillaci Vincenzo , Mantica Massimo , Scaglione Marco , Dello Russo Antonio , Cauti Filippo Maria , Zingarini Gianluca , Pandozi Claudio , Cavaiani Marco , Ferraro Anna , Maglia Giampiero , Stabile Giuseppe 
Published: March 2022

Abstract
Purpose
Highly localized impedance (LI) measurements during atrial fibrillation (AF) ablation have emerged as a viable real-time indicator of tissue characteristics and the consequent durability of the lesions created. We investigated the impact of catheter-tissue contact force (CF) on LI behavior during pulmonary vein isolation (PVI).

Methods
Forty-five consecutive patients of the CHARISMA registry undergoing de novo AF radiofrequency (RF) catheter ablation with a novel open-irrigated-tip catheter endowed with CF and LI measurement capabilities (Stablepoint™ catheter, Boston Scientific) were included.

Results
A total of 2895 point-by-point RF applications were analyzed (RF delivery time (DT) = 8.7±4s, CF = 13 ±±8 g, LI drop = 23 ±±7 Ω). All PVs were successfully isolated in an overall procedure time of 118 ±±34 min (fluoroscopy time = 13 ±±8 min). The magnitude of LI drop weakly correlated with CF (r = 0.13, 95% confidence interval (CI): 0.09 to 0.16, p < 0.0001), whereas both CF and LI drop inversely correlated with DT (r = −0.26, 95%CI: −0.29 to −0.22, p < 0.0001 for CF; r = −0.36, 95%CI: −0.39 to −0.33, p < 0.0001 for LI). For each 10 g of CF, LI drop markedly increased from 22.4 ± 7 Ω to 24.0 ± 8 Ω at 5 to 25 g CF intervals (5–14 g of CF vs 15–24 g of CF, p < 0.0001), whereas it showed smooth transition over 25 g (24.8 ± 7Ω at ≥ 25 g CF intervals, p = 0.0606 vs 15–24 g of CF). No major complications occurred during the procedures or within 30 days.

Conclusions
CF significantly affects LI drop and probable consequent lesion formation during RF PVI. The benefit of higher contact (> 25 g) between the catheter and the tissue appears to have less impact on LI drop.

Trial registration
Catheter Ablation of Arrhythmias With High Density Mapping System in the Real World Practice (CHARISMA). URL: http://clinicaltrials.gov/ Identifier: NCT03793998
MCH Pipeline Training Program: Connecting with Academia to Build Capacity Through Mentoring
Authors: Belcher Harolyn M. E. , Copeland-Linder Nikeea , Stone Jacqueline , Waters Catrina R. , Kuo Alice , Moerchen Victoria , Olaleye Omonike , Salihu Hamisu M. , Vamos Cheryl , Brown Claudia , Reddy Madhavi M. 
Published: March 2022

Abstract
Introduction
Efforts to recruit and retain diverse Maternal and Child Health (MCH) professionals are of paramount public health significance. Culturally congruent mentorship strategies are key to supporting a successful transition from undergraduate to graduate studies.

Methods
This mixed-method study evaluated a culturally congruent mentorship training used by one of the MCH Pipeline Training programs and described mentorship practices and lessons learned from the six MCH Pipeline programs. A retrospective pre-test post-test survey assessed mentorship competency skills following a mentoring workshop. All MCH Pipeline program leaders completed a questionnaire to elicit responses about mentoring training practices, mentor evaluation strategies, and lessons learned.

Results
Maternal and Child Health Pipeline Training Programs supported 1890 undergraduate scholars at universities and institutions nationally. Scholars at six MCH Pipeline Programs participated in MCH education and mentored experiential leadership opportunities in clinical practice, research, and public health education. Qualitative program-level mentor survey themes indicated the importance of creating a reflective space and building mentorship teams. Mean mentor self-assessed improvement in mentor competencies was 14.4 points, 95% CI [10.5, 18.3], p < .001 following completion of a mentoring training workshop implemented by one of the MCH Pipeline programs.

Discussion
The Health Resources and Services Administration’s Maternal and Child Health Bureau recognized the need to support the development of the next generation of diverse MCH leaders. Pipeline programs that included mentoring workshops and building culturally congruent mentorship teams are two strategies to increase and retain diverse scholars in graduate school and leaders in the public health workforce.