bluuebunny/crossref_metadata_2025_split huggingface dataset:
Scalable diagnostics for global atmospheric chemistry using Ristretto library (version 1.0)
Authors: Velegar Meghana , Erichson N. Benjamin , Keller Christoph A. , Kutz J. Nathan 
Published: April 2019

Abstract. We introduce a new set of algorithmic tools capable of producing scalable,
low-rank decompositions of global spatiotemporal atmospheric chemistry data.
By exploiting emerging randomized linear algebra algorithms, a suite
of decompositions are proposed that extract the dominant features from
big data sets (i.e., global atmospheric chemistry at longitude,
latitude, and elevation) with improved interpretability. Importantly, our
proposed algorithms scale with the intrinsic rank of the global chemistry
space rather than the ever increasing spatiotemporal measurement space, thus
allowing for the efficient representation and compression of the data. In
addition to scalability, two additional innovations are proposed for improved
interpretability: (i) a nonnegative decomposition of the data for improved
interpretability by constraining the chemical space to have only positive
expression values (unlike PCA analysis); and (ii) sparse matrix
decompositions, which threshold small weights to zero, thus highlighting the
dominant, localized spatial activity (again unlike PCA analysis). Our methods
are demonstrated on a full year of global chemistry dynamics data, showing
the significant improvement in computational speed and interpretability. We
show that the decomposition methods presented here successfully extract known
major features of atmospheric chemistry, such as summertime surface pollution
and biomass burning activities.
The [simple carbon project] model v1.0
Authors: O'Neill Cameron M. , Hogg Andrew McC. , Ellwood Michael J. , Eggins Stephen M. , Opdyke Bradley N. 
Published: April 2019

Abstract. We construct a carbon cycle box model to process observed or inferred
geochemical evidence from modern and paleo settings. The [simple carbon
project] model v1.0 (SCP-M) combines a modern understanding of the ocean
circulation regime with the Earth's carbon cycle. SCP-M estimates the
concentrations of a range of elements within the carbon cycle by simulating
ocean circulation, biological, chemical, atmospheric and terrestrial
carbon cycle processes. The model is capable of reproducing both paleo and
modern observations and aligns with CMIP5 model projections. SCP-M's fast
run time, simplified layout and matrix structure render it a flexible and
easy-to-use tool for paleo and modern carbon cycle simulations. The ease of
data integration also enables model–data optimisations. Limitations of the
model include the prescription of many fluxes and an ocean-basin-averaged
topology, which may not be applicable to more detailed simulations. In this paper we demonstrate SCP-M's application primarily with an analysis of
the carbon cycle transition from the Last Glacial Maximum (LGM) to the Holocene and also
with the modern carbon cycle under the influence of anthropogenic CO2
emissions. We conduct an atmospheric and ocean multi-proxy model–data
parameter optimisation for the LGM and late Holocene periods using the
growing pool of published paleo atmosphere and ocean data for CO2,
δ13C, Δ14C and the carbonate ion proxy. The results
provide strong evidence for an ocean-wide physical mechanism to deliver the
LGM-to-Holocene carbon cycle transition. Alongside ancillary changes in ocean
temperature, volume, salinity, sea-ice cover and atmospheric radiocarbon
production rate, changes in global overturning circulation and, to a lesser
extent, Atlantic meridional overturning circulation can drive the observed
LGM and late Holocene signals in atmospheric CO2, δ13C,
Δ14C, and the oceanic distribution of δ13C,
Δ14C and the carbonate ion proxy. Further work is needed on the analysis
and processing of ocean proxy data to improve confidence in these
modelling results.
Impact of Infection Prevention and Control Education Program on Improving Knowledge, Attitude and Practices of the Healthcare Staff in Hemodialysis Unit at Egyptian Tertiary Care Facility
Authors: Abdelwahab Marwa Ahmed , Labah Eman Abdel Raheem , Sayed Laila Mahmoud , Elbedwey Mohamed Mokhtar , Gabr Heba Mohamed 
Published: April 2019

Objective: Infection is a leading cause of hospitalization and the second most common cause of mortality among hemodialysis (HD) patients. The aim of this study is to assess the impact of infection prevention and control education program on improving healthcare workers knowledge, attitude and practices and reducing incidence of infection in the hemodialysis unit.
Methodology: All patients and healthcare workers in the unit within the study period were included. This study was conducted through 3 phases; Phase I: base line survey for assessment of infection prevention and control knowledge, attitude and practices among healthcare workers, Phase II: Intervention that included infection control standardized education program followed by post education survey. Phase III: Implementation of infection control program was done associated with assessment of blood born viruses (HCV, HBV & HIV) and monitoring patients for fever and/or local signs of inflammation at catheter exit or at skin around shunt to be subjected to blood culture.
Results: Health care workers knowledge, attitude and practices of infection prevention and control before intervention were unsatisfactory followed by significant improvement reflecting the effectiveness of such interventions. Regarding incidence of infection there were three cases of blood stream infections; two of them were multidrug resistant organisms (MDROs) and no reported cases of seroconverion for HIV, HCV or HBV during study period.
Conclusion: Lack of knowledge about infection prevention and control practices in hemodialysis unit could be significantly improved by standardized education program which results in reducing incidence of infections in such units.
Impact of treatment planning using a structure block function on the target and organ doses related to patient movement in cervical esophageal cancer: A phantom study
Authors: Shimizu Hidetoshi , Sasaki Koji , Ito Makoto , Aoyama Takahiro , Tachibana Hiroyuki , Tomita Natsuo , Makita Chiyoko , Tanaka Hiroshi , Koide Yutaro , Iwata Tohru , Kodaira Takeshi 
Published: April 2019

AbstractHelical tomotherapy (HT) can restrict beamlets passing through the virtual contour on computed tomography (CT) image in dose optimization, reducing the dose to organs at risk (OARs). Beamlet restriction limits the incident beamlet angles; thus, the proper planning target volume (PTV) margin may differ from that of the standard treatment plan without beamlet restriction, depending on the patient's movement during dose delivery. Dose distribution changes resulting from patient movement have not been described for treatment plans with beamlet restriction. This study quantified changes in dose distribution to the target and OARs when beamlet restriction is applied to cervical esophageal cancer treatment plan using HT by systematically shifting a phantom. Treatment plans for cervical esophageal cancers with and without beamlet restriction modes [directional block (DB) and nonblock (NB), respectively] were designed for CT images of the RANDO phantom. The PTV margin for the DB mode was set to be the same as that for the NB mode (5 mm). The CT image was intentionally shifted by ±1, ±2, and ±3 voxels in the left–right, anterior–posterior, and superior–inferior directions, and the dose distribution was recalculated for each position using the fluence for the NB or DB mode. When the phantom shift was within the same PTV margin as the NB mode, changes in doses to the targets, lungs, heart, and spinal cord in the DB mode were small as those in the NB mode. In conclusion, the virtual contour shape used in this study would provide safe delivery even with patient movement within the same PTV margin as for the NB mode.
Porphyrin Covalent Organic Framework (POF)‐Based Interface Engineering for Solar Steam Generation
Authors: Xia Zi‐Jing , Yang Hao‐Cheng , Chen Zhaowei , Waldman Ruben Z. , Zhao Yusen , Zhang Chao , Patel Shrayesh N. , Darling Seth B. 
Published: April 2019

AbstractThrough replacement of traditional energy sources with sunlight as the heat source, solar steam generation has emerged as a promising technology for water purification and residuals management. Despite significant efforts to develop efficient photothermal materials for solar steam devices, challenges associated with scalable fabrication of high‐performance materials remain. Moreover, most existing methods cannot be easily engineered to produce steam‐generating devices with both arbitrary control over shape and high photothermal efficiency. Herein, a flexible porphyrin organic framework (POF)‐based interface engineering method is introduced to produce high‐performance solar steam generators. POFs, a recently discovered class of materials, are demonstrated to grow readily on a diverse range of porous substrates, including membranes, fabrics, sponges, and wood. Wood@POF exhibits particularly strong performance, achieving ≈80% light‐to‐steam conversion efficiency. This study demonstrates a universal, simple, and scalable interface engineering strategy for the fabrication of solar steam generators based on POF materials.
Iodide‐Catalyzed Phosphorothiolation of Heteroarenes Using P(O)H Compounds and Elemental Sulfur
Authors: Shi Shanshan , Chen Jun , Zhuo Shaohua , Wu Zi'ang , Fang Meijuan , Tang Guo , Zhao Yufen 
Published: April 2019

AbstractOrganothiophosphates have found widespread application as biologically active compounds and synthetic intermediates in medicinal chemistry. The first transition‐metal‐free one‐pot direct synthesis of heterocyclic phosphorothioates involving indole or imidazo[1,2‐a]pyridine derivatives, elemental sulfur, and P(O)H compounds is presented. The use of NaI or KI as a catalyst, tert‐butyl hydroperoxide as an oxidant, various indole and imidazo[1,2‐a]pyridine derivatives are tolerant in this transformation, affording the corresponding products in good to excellent yields. Moreover, this method can be easily adapted to large‐scale preparation. O,O‐Diethyl S‐(1‐phenyl‐1H‐indol‐3‐yl) phosphorothioate presents potent anti‐inflammatory activity in lipopolysaccharide (LPS)‐stimulated RAW264.7 cells in a dose‐dependent manner.magnified image
Amorphous Spiro‐OMeTAD Prepared Flexible Films with Surface Engineering Boost Ternary Resistive Memory Yield to 86%
Authors: Zhao Yong‐Yan , Sun Wu‐Ji , He Jing‐Hui , Lu Jian‐Mei 
Published: April 2019

AbstractOrganic ternary resistive memories can greatly improve the information density and thus are being extensively explored. However, the effective ternary device yield remains too low (usually <50%) for potential industrialization despite that laborious formula innovations have been attempted to improve molecular conjugation and crystallinity of the active materials. Here, it is demonstrated that using solvent and surface engineering, the devices based on amorphous 2,2′,7,7′‐tetrakis[N,N‐di(4‐methoxyphenyl) amino]‐9,9′‐spirobifluorene (Spiro‐OMeTAD) achieve a ternary device yield of 86%, which is the highest among all reported to date. Spiro‐OMeTAD is amorphous in the thin film and has a pristine device yield of 42%, challenging the concept that conjugated molecules or polymers should be employed in resistive memories. In addition, by optimizing the film thickness and surface smoothness through solvent and surface engineering, Spiro‐OMeTAD on octyl phosphonic acid‐modified indium‐tin‐oxide (ITO) glass has much smoother surface, and the ternary device yield is elevated to 86%. The amorphous nature of Spiro‐OMeTAD also enables polyethylene terephthalate‐ITO/Spiro‐OMeTAD/Al device to display outstanding flexibility with no significant decline of ternary device yield undergo 10 000 bending cycles and 72° bending degree. The result stimulates more material selections and paves the way for practical application of resistive memories.
Quantifying the Volumetric Performance Metrics of Supercapacitors
Authors: Li Huan , Qi Changsheng , Tao Ying , Liu Huabo , Wang Da‐Wei , Li Feng , Yang Quan‐Hong , Cheng Hui‐Ming 
Published: April 2019

AbstractNanostructured materials have greatly improved the performance of electrochemical energy storage devices because of the increased activity and surface area. However, nanomaterials (e.g., nanocarbons) normally possess low packing density, and thus occupy more space which restricts their suitability for making electrochemical devices as compact as possible. This has resulted in their low volumetric performance (capacitance, energy density, and power density), which is a practical obstacle for the application of nanomaterials in mobile and on‐board energy storage devices. While rating electrode materials for supercapacitors, their volumetric performance is equally important as the gravimetric metrics and more reliable in particular for systems with limited space. However, the adopted criteria for measuring the volumetric performance of supercapacitors vary in the literature. Identifying the appropriate performance criteria for the volumetric values will set a universal ground for valid comparison. Here, the authors discuss the rationale for quantifying the volumetric performance metrics of supercapacitors from the three progressive levels of materials, electrodes, and devices. It is hoped that these thoughts will be of value for the general community in energy storage research.
Activating the Violation of Steering Inequality for Two‐Qubit X States
Authors: Pan Guo‐Zhu , Yang Ming , Zhang Gang , Cao Zhuo‐Liang 
Published: April 2019

AbstractThe phenomenon of superactivation of quantum steering, that is, the fact that by combining several copies of the unsteerable quantum state one can get a steerable quantum state, has recently attracted much attention. This property is currently only known for isotropic states, and whether there exists an example other than isotropic states is so far an open question. It is of great importance to learn the activation property of non‐isotropic states. In this paper, it is shown that the violation of the local uncertainty relations (LUR) steering inequality can be activated for two‐qubit X type entangled mixed states. Although the activation phenomenon proven in this paper cannot guarantee the superactivation of steering for two‐qubit X states, it does provide clues for this goal. In addition, previous results indicate that two copies are enough for the superactivation of steering, while the price to pay is a high local dimension, and it is unclear whether superactivation is possible with few copies in low‐dimensional systems such as two‐qubit systems. By providing examples of activation of LUR steering inequality with two copies in a two‐qubit system, the work may open a potential way to the solution of this question.
Selenmodifizierte Mikrogele als bioinspirierte Oxidationskatalysatoren
Authors: Tan Kok H. , Xu Wenjing , Stefka Simon , Demco Dan E. , Kharandiuk Tetiana , Ivasiv Volodymyr , Nebesnyi Roman , Petrovskii Vladislav S. , Potemkin Igor I. , Pich Andrij 
Published: April 2019

AbstractAnhand des Vorbilds von Glutathionperoxidase (GPx) wurden Mikrogele mit Selenfunktionalitäten versehen und somit katalytisch aktive, kolloidale Mikrogele gewonnen. Diselenid‐basierte Vernetzer (Se X‐Linker) wurden synthetisiert und gemeinsam mit dem konventionellen Vernetzer N,N′‐Methylenbis(acrylamid) (BIS) mittels Fällungspolymerisation in Mikrogele eingebracht. Die in den Mikrogelen verteilten Diselenidbrücken konnten selektiv mittels Oxidation durch H2O2 gespalten und zu Selensäure umgesetzt werden, ohne dass die Mikrogele an struktureller Integrität einbüßten. Auf diese Weise wurden katalytisch aktive Mikrogele mit variablem Selensäuregehalt synthetisiert. Beachtenswert ist, dass die so erhaltenen Mikrogele in einer Modellreaktion, der Oxidation von Acrolein zu Acrylsäure (AA) und Methacrylsäure (MA), im Vergleich zum reinen Se X‐Linker eine erhöhte katalytische Aktivität aufweisen.
C‐Terminal Bioconjugation of Peptides through Photoredox Catalyzed Decarboxylative Alkynylation
Authors: Garreau Marion , Le Vaillant Franck , Waser Jerome 
Published: April 2019

AbstractWe report the first decarboxylative alkynylation of the C‐terminus of peptides starting from free carboxylic acids. The reaction is fast, metal‐free, and proceeds cleanly to afford alkynylated peptides with a broad tolerance for the C‐terminal amino acid. By the use of hypervalent iodine reagents, the introduction of a broad range of functional groups was successful. C‐terminal selectivity was achieved by differentiation of the oxidation potentials of the carboxylic acids based on the use of fine‐tuned organic dyes.
Ionophore‐Based Biphasic Chemical Sensing in Droplet Microfluidics
Authors: Wang Xuewei , Sun Meng , Ferguson Stephen A. , Hoff J. Damon , Qin Yu , Bailey Ryan C. , Meyerhoff Mark E. 
Published: April 2019

AbstractDroplet microfluidics is an enabling platform for high‐throughput screens, single‐cell studies, low‐volume chemical diagnostics, and microscale material syntheses. Analytical methods for real‐time and in situ detection of chemicals in the droplets will benefit these applications, but they remain limited. Reported herein is a novel heterogeneous chemical sensing strategy based on functionalization of the oil phase with rationally combined sensing reagents. Sub‐nanoliter oil segments containing pH‐sensitive fluorophores, ionophores, and ion‐exchangers enable highly selective and rapid fluorescence detection of physiologically important electrolytes (K+, Na+, and Cl−) and polyions (protamine) in sub‐nanoliter aqueous droplets. Electrolyte analysis in whole blood is demonstrated without suffering from optical interference from the sample matrix. Moreover, an oil phase doped with an aza‐BODIPY dye allows indication of H2O2 in the aqueous droplets, exemplifying sensing of targets beyond ionic species.
Copper‐Catalyzed N−F Bond Activation for Uniform Intramolecular C−H Amination Yielding Pyrrolidines and Piperidines
Authors: Bafaluy Daniel , Muñoz‐Molina José María , Funes‐Ardoiz Ignacio , Herold Sebastian , de Aguirre Adiran J. , Zhang Hongwei , Maseras Feliu , Belderrain Tomás R. , Pérez Pedro J. , Muñiz Kilian 
Published: April 2019

AbstractThe dual function of the N−F bond as an effective oxidant and subsequent nitrogen source in intramolecular aliphatic C−H functionalization reactions is explored. Copper catalysis is demonstrated to exercise full regio‐ and chemoselectivity control, which opens new synthetic avenues to nitrogenated heterocycles with predictable ring sizes. For the first time, a uniform catalysis manifold has been identified for the construction of both pyrrolidine and piperidine cores. The individual steps of this new copper oxidation catalysis were elucidated by control experiments and computational studies, clarifying the singularity of the N−F function and characterizing the catalytic cycle to be based on a copper(I/II) manifold.
Cross‐Peaks in Simple Two‐Dimensional NMR Experiments from Chemical Exchange of Transverse Magnetisation
Authors: Waudby Christopher A. , Frenkiel Tom , Christodoulou John 
Published: April 2019

AbstractTwo‐dimensional correlation measurements such as COSY, NOESY, HMQC, and HSQC experiments are central to small‐molecule and biomolecular NMR spectroscopy, and commonly form the basis of more complex experiments designed to study chemical exchange occurring during additional mixing periods. However, exchange occurring during chemical shift evolution periods can also influence the appearance of such spectra. While this is often exploited through one‐dimensional lineshape analysis (“dynamic NMR”), the analysis of exchange across multiple chemical shift evolution periods has received less attention. Here we report that chemical exchange‐induced cross‐peaks can arise in even the simplest two‐dimensional NMR experiments. These cross‐peaks can have highly distorted phases that contain rich information about the underlying exchange process. The quantitative analysis of such peaks, from a single 2D spectrum, can provide a highly accurate characterisation of underlying exchange processes.
Amylose‐grafted Curdlan: A New Class of Semi‐artificial Branched Polysaccharides for Hierarchical Polymeric Superstructures Created by the Action of “Orthogonal” Binding Sites
Authors: Tamaru Shun‐ichi , Honzaki Miyabi , Kamogawa Kinosuke , Hori Kaori , Kubo Miki , Kuroda Naofumi , Shinkai Seiji 
Published: April 2019

AbstractThe semi‐artificial branched‐polysaccharides, amylose‐grafted curdlans, were synthesized utilizing an enzymatic polymerization. Both a curdlan main chain and amylose side chains on the polysaccharides maintain the original helical structure as well as the molecular binding ability. Thanks to the difference in their molecular recognition properties between β‐1,3‐glucan chain and α‐1,4‐glucan chain, the amylose‐grafted curdlans can provide two different orthogonal binding sites within one polymeric system. When a water‐soluble polythiophene was mixed with the amylose‐grafted curdlan, the polythiophene was twisted in two different modes and therein, fluorescence energy of the polythiophene wrapped by the amylose side chains was successfully transferred to the polythiophene wrapped by the curdlan main chain. We thus concluded that in the dendritic superstructure of this polysaccharide, a self‐organized “Janus‐type FRET system” was successfully constructed.
The impact of shared financial decision making on overconfidence for married adults
Authors: Warmath Dee , Piehlmaier Dominik , Robb Cliff 
Published: April 2019

AbstractPrevious research has shown that overconfidence is associated with a decrease in the quality of decision making and, therefore, decision outcomes. However, less is known about the conditions or circumstances that reduce financial overconfidence. Using data from two national studies, this study was designed to provide insights into the dynamics of intrahousehold financial decision making by examining the role of shared decision making in reducing overconfidence bias. Findings suggest that a psychological sense of shared ownership of money is associated with lower levels of overconfidence. With regard to financial planning practice, these results suggest that married individuals who believe in shared ownership of household money tend to have lower levels of overconfidence.
Extraction of Reliable Molecular Information from Diffusion NMR Spectroscopy: Hydrodynamic Volume or Molecular Mass?
Authors: Zaccaria Francesco , Zuccaccia Cristiano , Cipullo Roberta , Macchioni Alceo 
Published: April 2019

AbstractMeasuring accurate translational self‐diffusion coefficients (Dt) by NMR techniques with modern spectrometers has become rather routine. In contrast, the derivation of reliable molecular information therefrom still remains a nontrivial task. In this paper, two established approaches to estimating molecular size in terms of hydrodynamic volume (VH) or molecular weight (M) are compared. Ad hoc designed experiments allowed the critical aspects of their application to be explored by translating relatively complex theoretical principles into practical take‐home messages. For instance, comparing the Dt values of three isosteric Cp2MCl2 complexes (Cp=cyclopentadienyl, M=Ti, Zr, Hf), having significantly different molecular mass, provided an empirical demonstration that VH is the critical molecular property affecting Dt. This central concept served to clarify the assumptions behind the derivation of Dt=ƒ(M) power laws from the Stokes–Einstein equation. Some pitfalls in establishing log (Dt) versus log (M) linear correlations for a set of species have been highlighted by further investigations of selected examples. The effectiveness of the Stokes–Einstein equation itself in describing the aggregation or polymerization of differently shaped species has been explored by comparing, for example, a ball‐shaped silsesquioxane cage with its cigar‐like dimeric form, or styrene with polystyrene macromolecules.