bluuebunny/crossref_metadata_2025 huggingface dataset:
An Exceptional Peroxide Birefringent Material Resulting from d–π Interactions
Authors: Liu Shuai , Liu Xiaomeng , Zhao Sangen , Liu Youchao , Li Lina , Ding Qingran , Li Yanqiang , Lin Zheshuai , Luo Junhua , Hong Maochun
Published: March 2020

Birefringent materials, which can modulate the polarization of light, are almost exclusively limited to oxides. Peroxides have long been overlooked as birefringent materials, because they are usually not stable in air. Now, the first peroxide birefringent material Rb2VO(O2)2F is reported, the single crystals of which keep transparency after being exposed in the air for two weeks. Interestingly, Rb2VO(O2)2F does not feature an optimal anisotropic structure, but its birefringence (Δn=0.189 at 546 nm) exceeds those of the majority of oxides. According to the first‐principles calculations, this exceptional birefringence should be attributed to the strong electronic interactions between localized π orbital of O22− anions and V5+ 3d orbitals, which may be also favorable to the stability in the air for Rb2VO(O2)2F. These findings distinguish peroxides as a brand‐new class of birefringent materials that may possess birefringence superior to the traditional oxides.
Evolvierte, selektive Eraser für spezifische Lysinacylierungen
Authors: Spinck Martin , Neumann‐Staubitz Petra , Ecke Maria , Gasper Raphael , Neumann Heinz
Published: March 2020

Lysinacylierungen treten in vielen wichtigen physiologischen Prozessen auf. Nur eine kleine Anzahl Substrat‐promisker Lysin‐Acetyltransferasen und ‐Deacetylasen (KDACs) installiert und entfernt diese zahlreichen Modifikationen. Mit evolvierten KDACs, die nur bestimmte Acylierungen entfernen können, könnte die physiologische Bedeutung verschiedener Acylierungen für die Zelle analysiert werden. Wir haben ein bakterielles Selektionssystem für die gerichtete Evolution von KDACs entwickelt, mit dessen Hilfe wir Varianten identifizieren konnten, die Butyrylgruppen bis zu 400‐mal effizienter von Lysin entfernen als Crotonylreste. Strukturanalysen ergaben, dass das Enzym, abhängig von der Acylierung des Substrats, einen aktive oder inaktive Konformation annimmt. Mithilfe einer Butyryl‐selektiven KDAC‐Variante war es möglich, das zelluläre Acylierungsspektrum in Richtung erhöhter Lysincrotonylierung zu verschieben. Unser Selektionssystem ermöglicht es, KDAC‐Enzyme zu evolvieren, um die physiologische Signifikanz einzelner Acyllysinmodifikationen auf die Zelle zu untersuchen.
Electrochemical Oxidation of Nitrogen towards Direct Nitrate Production on Spinel Oxides
Authors: Dai Chencheng , Sun Yuanmiao , Chen Gao , Fisher Adrian C. , Xu Zhichuan J.
Published: March 2020

Nitrates are widely used as fertilizer and oxidizing agents. Commercial nitrate production from nitrogen involves high‐temperature‐high‐pressure multi‐step processes. Therefore, an alternative nitrate production method under ambient environment is of importance. Herein, an electrochemical nitrogen oxidation reaction (NOR) approach is developed to produce nitrate catalyzed by ZnFexCo2−xO4spinel oxides. Theoretical and experimental results show Fe aids the formation of the first N−O bond on the *N site, while high oxidation state Co assists in stabilizing the absorbed OH−for the generation of the second and third N−O bonds. Owing to the concerted catalysis, the ZnFe0.4Co1.6O4oxide demonstrates the highest nitrate production rate of 130±12 μmol h−1 gMO−1at an applied potential of 1.6 V versus the reversible hydrogen electrode (RHE).
Comment on “Photo‐Controlled Reversible Microtubule Assembly Mediated by Paclitaxel‐Modified Cyclodextrin”
Authors: Thorn‐Seshold Oliver
Published: March 2020

In this Correspondence, several questions are raised regarding the study design and data interpretation in a recent Communication in this journal. An alternative data interpretation in line with literature knowledge is provided, suggesting that the compounds reported do not perform in cell‐free or cellular settings as described.
Freeze–Thaw‐Promoted Fabrication of Clean and Hierarchically Structured Noble‐Metal Aerogels for Electrocatalysis and Photoelectrocatalysis
Authors: Du Ran , Joswig Jan‐Ole , Hübner René , Zhou Lin , Wei Wei , Hu Yue , Eychmüller Alexander
Published: March 2020

Noble‐metal aerogels (NMAs) have drawn increasing attention because of their self‐supported conductive networks, high surface areas, and numerous optically/catalytically active sites, enabling their impressive performance in diverse fields. However, the fabrication methods suffer from tedious procedures, long preparation times, unavoidable impurities, and uncontrolled multiscale structures, discouraging their developments. By utilizing the self‐healing properties of noble‐metal aggregates, the freezing‐promoted salting‐out behavior, and the ice‐templating effect, a freeze–thaw method is crafted that is capable of preparing various hierarchically structured noble‐metal gels within one day without extra additives. In light of their cleanliness, the multi‐scale structures, and combined catalytic/optical properties, the electrocatalytic and photoelectrocatalytic performance of NMAs are demonstrated, which surpasses that of commercial noble‐metal catalysts.
Haruspex: A Neural Network for the Automatic Identification of Oligonucleotides and Protein Secondary Structure in Cryo‐Electron Microscopy Maps
Authors: Mostosi Philipp , Schindelin Hermann , Kollmannsberger Philip , Thorn Andrea
Published: March 2020

In recent years, three‐dimensional density maps reconstructed from single particle images obtained by electron cryo‐microscopy (cryo‐EM) have reached unprecedented resolution. However, map interpretation can be challenging, in particular if the constituting structures require de‐novo model building or are very mobile. Herein, we demonstrate the potential of convolutional neural networks for the annotation of cryo‐EM maps: our network Haruspex has been trained on a carefully curated set of 293 experimentally derived reconstruction maps to automatically annotate RNA/DNA as well as protein secondary structure elements. It can be straightforwardly applied to newly reconstructed maps in order to support domain placement or as a starting point for main‐chain placement. Due to its high recall and precision rates of 95.1 % and 80.3 %, respectively, on an independent test set of 122 maps, it can also be used for validation during model building. The trained network will be available as part of the CCP‐EM suite.
An Unexpected Chromophore–Solvent Reaction Leads to Bicomponent Aggregation‐Induced Phosphorescence
Authors: Chen Biao , Huang Wenhuan , Su Hao , Miao Hui , Zhang Xuepeng , Zhang Guoqing
Published: March 2020

Organic luminogens with persistent room‐temperature phosphorescence (RTP) have found a wide range of applications. However, many RTP luminogens are prone to severe quenching in the crystalline state. Herein, we report a strategy to construct a donor‐sp3‐acceptor type luminogen that exhibits aggregation‐induced emission (AIE) while the donor‐sp2‐acceptor counterpart structure exhibits a non‐emissive solid state. Unexpectedly, it was discovered that a trace amount (0.01 %) of the structurally similar derivative, produced by a side reaction with the DMF solvent, could induce strong RTP with an absolute RTP yield up to 25.4 % and a lifetime of 48 ms, although the substance does not show RTP by itself. Single‐crystal XRD‐based calculations suggest that n–σ* orbital interactions as a result of structural similarity may be responsible for the strong RTP in the bicomponent system. This study provides a new insight into the design of multi‐component, solid‐state RTP materials from organic molecular systems.
A Stable Silanol Triad in the Zeolite Catalyst SSZ‐70
Authors: Schroeder Christian , Mück‐Lichtenfeld Christian , Xu Le , Grosso‐Giordano Nicolás A. , Okrut Alexander , Chen Cong‐Yan , Zones Stacey I. , Katz Alexander , Hansen Michael Ryan , Koller Hubert
Published: March 2020

Nests of three silanol groups are located on the internal pore surface of calcined zeolite SSZ‐70. 2D 1H double/triple‐quantum single‐quantum correlation NMR experiments enable a rigorous identification of these silanol triad nests. They reveal a close proximity to the structure directing agent (SDA), that is, N,N′‐diisobutyl imidazolium cations, in the as‐synthesized material, in which the defects are negatively charged (silanol dyad plus one charged SiO− siloxy group) for charge balance. It is inferred that ring strain prevents the condensation of silanol groups upon calcination and removal of the SDA to avoid energetically unfavorable three‐rings. In contrast, tetrad nests, created by boron extraction from B‐SSZ‐70 at various other locations, are not stable and silanol condensation occurs. Infrared spectroscopic investigations of adsorbed pyridine indicate an enhanced acidity of the silanol triads, suggesting important implications in catalysis.
Chromium‐Catalyzed Alkylation of Amines by Alcohols
Authors: Kallmeier Fabian , Fertig Robin , Irrgang Torsten , Kempe Rhett
Published: March 2020

The alkylation of amines by alcohols is a broadly applicable, sustainable, and selective method for the synthesis of alkyl amines, which are important bulk and fine chemicals, pharmaceuticals, and agrochemicals. We show that Cr complexes can catalyze this C−N bond formation reaction. We synthesized and isolated 35 examples of alkylated amines, including 13 previously undisclosed products, and the use of amino alcohols as alkylating agents was demonstrated. The catalyst tolerates numerous functional groups, including hydrogenation‐sensitive examples. Compared to many other alcohol‐based amine alkylation methods, where a stoichiometric amount of base is required, our Cr‐based catalyst system gives yields higher than 90 % for various alkyl amines with a catalytic amount of base. Our study indicates that Cr complexes can catalyze borrowing hydrogen or hydrogen autotransfer reactions and could thus be an alternative to Fe, Co, and Mn, or noble metals in (de)hydrogenation catalysis.
Benzidine/Quinoidal‐Benzidine‐Linked, Superbenzene‐Based π‐Conjugated Chiral Macrocycles and Cyclophanes
Authors: Li Guangwu , Matsuno Taisuke , Han Yi , Phan Hoa , Wu Shaofei , Jiang Qing , Zou Ya , Isobe Hiroyuki , Wu Jishan
Published: March 2020

Synthesis of fully conjugated cyclophanes containing large‐size polycyclic aromatics is challenging. Now, three benzidine‐linked, hexa‐peri‐hexabenzocoronene (superbenzene)‐based ortho‐, para‐, and meta‐cyclophanes are synthesized through intermolecular Yamamoto coupling reaction of structurally pre‐organized precursors. Subsequent oxidative dehydrogenation gave the corresponding quinoidal benzidine‐linked cyclophanes. Their geometries were confirmed by X‐ray crystallographic analysis and their electronic properties were investigated by electronic absorption, cyclic voltammetry, and DFT calculations. The quinoidal benzidine‐linked cyclophanes show thermally populated paramagnetic activity with a relatively large singlet‐triplet energy gap. Two enantiomers for the ortho‐cyclophanes (1‐NH and 1‐N) were isolated and their chiral figure‐of‐eight macrocyclic structures were identified. The cage‐like cyclophanes 2‐NH and 3‐NH with concave surface can selectively encapsulate fullerene C70.
3‐Amino‐5‐mercapto‐1,2,4‐triazole‐functionalized Fe3O4 magnetic nanocomposite as a green and efficient catalyst for synthesis of bis(indolyl)methane derivatives
Authors: Hajibabaei Maryam , Senejani Masumeh Abdoli , Shafiei Fatemeh
Published: March 2020

A core–shell Fe3O4@silica magnetic nanocomposite functionalized with 3‐amino‐5‐mercapto‐1,2,4‐triazole (Fe3O4/SiO2/PTS/AMTA) was prepared using Fe3O4 with silica layer, and its surface was modified with 3‐amino‐5‐mercapto‐1,2,4‐triazole. The novel synthesized magnetite nanocomposite was characterized using various techniques. The catalytic activity of Fe3O4/SiO2/PTS/AMTA was demonstrated in the synthesis of bis(indolyl)methane derivatives under solvent‐free conditions. Some of the bis(indolyl)methane derivatives were synthesized through one‐pot, three‐component reaction of 1 mol of various benzaldehydes or ketones with 2 mol of indole in the presence of Fe3O4/SiO2/PTS/AMTA in good to excellent isolated yields. In addition, the catalyst could be recovered and used for several reaction runs without loss of catalytic activity. The stability of recycled catalyst was investigated. This method has some advantages including experimental simplicity, good to excellent yields, solvent‐free conditions and stability and reusability of the catalyst.
Neural network adaptive finite‐time control of stochastic nonlinear systems with full state constraints
Authors: Zhu Qidan , Liu Yongchao
Published: March 2020

This paper investigates the issue of neural network adaptive finite‐time tracking control for stochastic nonlinear systems subject to full state constraints. In the controller design process, neural networks are employed to cope with the packed uncertainties and the log‐type barrier Lyapunov functions are introduced to prevent the violation of the state constraints. By using approximated‐based neural networks and adaptive backstepping technique, a novel finite‐time control approach is presented. The designed control method not only makes the tracking error converge to a small neighborhood of the origin in a finite time, but also surmounts the effect of state constraints to system performance. A numerical simulation example is provided to illustrate the validity of the designed control method.
Recombining plasma in supernova remnants: Discovery and progress in the last decade
Authors: Yamaguchi Hiroya
Published: March 2020

Presence of recombining (overionized) plasma in several supernova remnants (SNRs), first suggested by ASCA observations, was anchored by the detection of enhanced radiative recombination continua inSuzakuspectra of the SNRs IC 443 and W49B. This discovery was surprising, because X‐ray‐emitting SNRs were thought to have ionizing plasmas in general. Since then, similar spectral features have been detected from more than a dozen SNRs, implying that the recombining plasma is not uncommon for a certain type of SNRs. This paper reviews the observational and theoretical progress achieved in the last decade toward understanding of the origin of the recombining plasmas in SNRs. It is observationally indicated that all the SNRs whose plasma is in overionization are associated with the so‐called mixed‐morphology class, characterized by a centrally peaked X‐ray profile and rim‐brightened radio emission. The latest studies of W49B withNuSTARand W44 withXMM‐Newtonhave provided clear evidence that two distinct mechanisms can work for the formation of the recombining plasma, namely adiabatic cooling and thermal conduction, with the dominant channel depending on the evolutionary stage of SNRs.
Chromium Oxynitride as Durable Electrode Material for Symmetric Supercapacitors
Authors: Kumar U. Naveen , Ramavath Janraj Naik , Ghosh Sourav , Kothandaraman R. , Thomas Tiju
Published: March 2020

Recently, metal oxynitrides (MONs) have gained a lot of attention as electrode materials for supercapacitor (SC) applications due to their unique properties such as high electronic conductivity, wettability, corrosion resistance, and chemical robustness. Nanostructuring strategies of MONs opens fresh avenues for energy storage. Though various transition metal oxides (MO) and metal nitrides (MN) have been explored as electrode materials for SC applications, they have limitations associated with poor cyclability and rate capabilities. Hence, there is a value to exploring intermediate oxynitride compounds (MONs) in place of pure MOs and MNs. Chromium oxynitride (CrOXNY) as electrode material is not yet been explored for SC applications. In this context, we have carried out the systematic study of the nanostructured nano‐spherical CrOXNY nanoparticle as an electrode material for SC applications. The electrochemical performance of the CrOXNY electrode is tested in both the three and two electrode assembly. The CrOXNY electrode shows capacitance of 146 F g−1 at 10 mV s−1 in three electrode configuration. The symmetric coin cell (CR2032) is fabricated and tested up to 10,000 cycles at 2 A g−1 and it shows excellent capacity retention up to 98 %. The energy and power densities of the symmetric device are ∼8 W h kg−1 at 1 A g−1 and 28.8 kW kg−1 at 10 A g−1, respectively. As a proof of concept, a red light‐emitting diode (LED) is lit by serially connecting two symmetric coin cells (2 V). These attributes of CrOXNY, such as excellent capacitance retention, long cyclic stability, and high rate capability, indicates that it can be used as a durable electrode material for SC technology.
The economic effect of China's educational input, based on the research of dynamic spatial Dubin model
Authors: Su Hongwei , Yu Jinghui , Shi Yan
Published: March 2020

Based on the growth framework of M‐R‐W, this paper uses panel fixed effect and dynamic space Dubin model to analyze the impact of Chinese education investment on economic growth and spatial effects of education investment for 31 province‐level regions in China from 2008 to 2016. The results reveal the following findings: First, the role of education investment in China's economic growth is limited, and the role of education investment in economic growth is quite different in different economic regions. Changes in per capita education investment only have a significant impact on economic growth in the Yangtze River Delta, Northeast China, and Northwest China. Second, when education investment affects economic growth, there is an inverted U‐shaped Kuznets curve. The effect of education investment reflected by human capital on economic growth is lower than that of physical capital. Third, there is a positive spatial agglomeration effect on the spatial distribution of educational investment in various regions of China, but the effect is weak. Fourth, the spatial spillover effect of educational investment is greater than the direct effect. In other words, the economic growth effect of educational investment in a certain region is lower than that of other regions.
How does green advertising skepticism on social media affect consumer intention to purchase green products?
Authors: Luo Biao , Sun Ying , Shen Jie , Xia Lihui
Published: March 2020

Underpinned by the stimulus–organism–response model, this study explores the underlying mechanism through which green advertising skepticism on social media affects consumer green purchase intention. It also investigates the boundary factors that moderate this indirect relationship. Performing structural equation modeling on data collected from an online survey on Sina Weibo, this study finds that green advertising skepticism on social media negatively affects green purchase intention through the mediation of perceived information utility. Moreover, interdependent self‐construal positively moderates, and independent self‐construal negatively moderates this indirect relationship. These findings suggest that truthful and consumer‐tailored green advertising is crucial to green product marketing.
Phosphorylation of the WWOX Protein Regulates Its Interaction with p73
Authors: Lahav Noa , Rotem‐Bamberger Shahar , Fahoum Jamal , Dodson Emma‐Joy , Kraus Yahel , Mousa Reem , Metanis Norman , Friedler Assaf , Schueler‐Furman Ora
Published: March 2020

We describe a molecular characterization of the interaction between the cancer‐related proteins WWOX and p73. This interaction is mediated by the first of two WW domains (WW1) of WWOX and a PPXY‐motif‐containing region in p73. While phosphorylation of Tyr33 of WWOX and association with p73 are known to affect apoptotic activity, the quantitative effect of phosphorylation on this specific interaction is determined here for the first time. Using ITC and fluorescence anisotropy, we measured the binding affinity between WWOX domains and a p73 derived peptide, and showed that this interaction is regulated by Tyr phosphorylation of WW1. Chemical synthesis of the phosphorylated domains of WWOX revealed that the binding affinity of WWOX to p73 is decreased when WWOX is phosphorylated. This result suggests a fine‐tuning of binding affinity in a differential, ligand‐specific manner: the decrease in binding affinity of WWOX to p73 can free both partners to form new interactions.
A Peptide‐PNA Hybrid Beacon for Sensitive Detection of Protein Biomarkers in Biological Fluids
Authors: Dhar Amlanjyoti , Ahmed Israr , Mallick Shampa , Roy Siddhartha
Published: March 2020

Specific and rapid detection of proteins in biological fluids poses a challenging problem. In biological fluids, many proteins are present at low concentrations, requiring high affinity and specificity of the beacon‐protein interaction. We report the design of a peptide‐PNA hybrid beacon that exploits the dimeric nature of a target protein, S100B, a biomarker for brain trauma, to enhance binding affinity and specificity. The complementary base‐pairing of the PNA bases brings the two arms of the beacon, one carrying an Alexa tag and the other carrying a Dabcyl moiety, into proximity, thus quenching Alexa fluorescence. Each of the arms carries a sequence that binds to one of the subunits. Binding to the target separates the quencher from the probe lifting the quenching of fluorescence. Enhanced affinity and specificity resulting from simultaneously binding to two sites allowed specific detection of S100B at low‐nanomolar concentrations in the presence of serum. The design can be easily adapted for the detection of proteins containing multiple binding sites and could prove useful for rapid and sensitive biomarker detection.
In‐situ Self‐transformation Synthesis of N‐doped Carbon Coating Paragenetic Anatase/Rutile Heterostructure with Enhanced Photocatalytic CO2 Reduction Activity
Authors: Chen Siyuan , Gao Hongyi , Han Mengyi , Chen Xiao , Zhang Xiaowei , Dong Wenjun , Wang Ge
Published: March 2020

Photocatalytic CO2 reduction can reduce greenhouse gas emissions and convert CO2 into value‐added chemical feedstocks and fuels. P25 is one of the most popular photocatalyst, but its high photoinduced charge recombination rate and low CO2 adsorption ability hinder its application in photocatalytic CO2 reduction due to the limited anatase/rutile interface and small specific surface area. Herein, a paragenetic anatase/rutile interface is in‐situ formed in one crystal grain via calcination of NH2‐MIL‐125 in argon atmosphere and the obtained N doped porous carbon layer endows its high specific surface area. The in situ XRD and HRTEM characterization proved the anatase/rutile interface is in situ formed by the phase transformation from anatase (211) plane to rutile (211) plane. The charge separation efficiency of the photocatalyst with N‐doped carbon coating paragenetic heterostructure is proved to be enhanced compared with N‐doped carbon coating anatase or rutile single phase catalyst. The optimized catalyst S750Ar with paragenetic anatase/rutile structure shows a 7.6 folds enhanced CO conversion rate than that of P25. These findings provide an in‐situ self‐transition strategy to regulate charge transfer between phases at the interface and promote the application of heterogeneous catalysts.
Designing Sodium Manganese Oxide with 4 d‐Cation Zr Doping as a High‐Rate‐Performance Cathode for Sodium‐Ion Batteries
Authors: Shi Wen‐Jing , Zheng Ya‐Min , Meng Xiao‐Meng , Liu Shi‐Bin , Xu Shou‐Dong , Chen Liang , Wang Xiao‐Min , Zhang Ding
Published: March 2020

Sodium‐ion batteries (SIBs) using transition‐metal oxides as cathodes have been considered as prospective alternatives for energy storage applications. Herein, the 4d‐cation Zr‐substitution strategy is proposed to optimize the structure and electrochemical properties of Na0.44MnO2 for the first time. In situ X‐ray diffraction demonstrates that the optimized Na0.44Mn0.98Zr0.02O2 exhibits a smaller volume change (only 4.25 %) during the initial charge/discharge process. Additionally, the Na+ diffusion coefficients are significantly enhanced after Zr introduction, thus leading to superb rate properties. A high reversible capacity of 112 mAh g−1 can be obtained at 1 C. The long cycle lifespan can be supported by 78 mAh g−1 that is maintained after 1000 cycles with a capacity retention of 80 % at 5 C. These findings not only indicate that 4d‐cation Zr‐substitution is an effective approach to tune the tunnel‐type cathodes, but also provide a new avenue to devise and optimize high‐performance cathodes for SIBs.
Sustained and Controlled Release of Volatile Precursors for Chemical Vapor Deposition of Graphene at Atmospheric Pressure
Authors: Chen Qiao , Yi Xin , Huang Meirong , Wu Wenjia , Song Qiyang , Nie Changjiang , Wang Shun , Zhu Hongwei
Published: March 2020

Precursors and catalysts play vital roles in chemical reactions. Considerable efforts have been devoted to the investigation of catalysts for graphene growth by chemical vapor deposition in recent years. However, there has been little research on precursors because of a lack of innovation in term of creating a controllable feeding method. Herein, we present a novel sustained and controlled release approach, and develop a convenient, safe, and potentially scalable feeding system with the assistance of matrix materials and a simple portable feeder. As a result, a highly volatile liquid precursor can be fed accurately to grow large‐area, uniform graphene films with optimal properties. This feeding approach will further benefit the synthesis of other two‐dimensional materials from various precursors.
Mechanistic Insights into the Triplet Sensitized Photochromism of Diarylethenes
Authors: Fredrich Sebastian , Morack Tobias , Sliwa Michel , Hecht Stefan
Published: March 2020

Operating photoswitchable molecules repetitively and reliably is crucial for most of their applications, in particular in (opto)electronic devices, and related to reversibility and fatigue resistance, which both critically depend on the photoisomerization mechanism defined by the substitution pattern. Two diarylethene photoswitches bearing biacetyl triplet sensitizers either at the periphery or at the core were investigated using both stationary as well as transient UV/Vis absorption spectroscopy ranging from the femtosecond to the microsecond time scale. The diarylethene with two biacetyl moieties at the periphery is switching predominantly from the triplet excited state, giving rise to an enhanced fatigue resistance. In contrast, the diarylethene bearing one diketone at the photoreactive inner carbon atom cyclizes from the singlet excited state and shows significantly higher quantum yields for both cyclization and cycloreversion.
Impact of the Patient Protection and Affordable Care Act on cost‐related medication underuse in nonelderly adult cancer survivors
Authors: Barnes Justin M. , Johnson Kimberly J. , Adjei Boakye Eric , Sethi Rosh K. V. , Varvares Mark A. , Osazuwa‐Peters Nosayaba
Published: March 2020

Background

Cost‐related medication underuse (CRMU), a measure of access to care and financial burden, is prevalent among cancer survivors. The authors quantified the impact of the Patient Protection and Affordable Care Act (ACA) on CRMU in nonelderly cancer survivors.

Methods

Using National Health Interview Survey data (2011‐2017) for cancer survivors aged 18 to 74 years, the authors estimated changes in CRMU (defined as taking medication less than prescribed due to costs) before (2011‐2013) to after (2015‐2017) implementation of the ACA. Difference‐in‐differences (DID) analyses estimated changes in CRMU after implementation of the ACA in low‐income versus high‐income cancer survivors, and nonelderly versus elderly cancer survivors.

Results

A total of 6176 cancer survivors aged 18 to 64 years and 4100 cancer survivors aged 65 to 74 years were identified. In DID analyses, there was an 8.33‐percentage point (PP) (95% confidence interval, 3.06‐13.6 PP; P = .002) decrease in CRMU for cancer survivors aged 18 to 64 years with income <250% of the federal poverty level (FPL) compared with those with income >400% of the FPL. There was a reduction for cancer survivors aged 55 to 64 years compared with those aged 65 to 74 years with income <400% of the FPL (−9.35 PP; 95% confidence interval, −15.6 to −3.14 PP [P = .003]).

Conclusions

There was an ACA‐associated reduction in CRMU noted among low‐income, nonelderly cancer survivors. The ACA may improve health care access and affordability in this vulnerable population.
Fabrication of a Lateral Heterostructure of Crystallized MoO2/Amorphous MoO3‐x for Photothermal Conversion
Authors: Guo Cang , Wei Cong , Shen Yonglong , Cui Xinwei , Xu Qun
Published: March 2020

The heterostructure of crystallized MoO2/amorphous MoO3‐x was firstly constructed via reduction of crystalline MoO3 by Mo metal via a hydrothermal method. All characterization results indicate the coexistence of a defective crystallized MoO2 phase and amorphous MoO3‐x phase. Furthermore, the heterostructure products possess excellent photothermal conversion (61.5%).
Bone augmentation by octacalcium phosphate and collagen composite coated with poly‐lactic acid cage
Authors: Yanagisawa Toshiki , Yasuda Ayato , Makkonen Ria I. , Kamakura Shinji
Published: March 2020

Objective

Although octacalcium phosphate and collagen composite (OCP/Col) has demonstrated excellent bone regeneration, it has never achieved bone augmentation. The present study investigated whether it could be enabled by OCP/Col disks treated with parathyroid hormone (PTH) and covered with a poly‐lactic acid (PLA) cage.

Materials and methods

The prepared OCP/Col disks with three different types of PLA cages (no hole, one large hole, several small holes) were implanted into subperiosteal pockets in rodent calvaria. Histological, and histomorphometric analyses were conducted at 12 weeks after implantation.

Results

Implants with all PLA cage variants achieved sufficient bone augmentation, and analyses showed that new bone was formed from the original bone and along the PLA cage. While the PLA cage variant with no holes sporadically evoked new bone formation even at the central area of the roof of the PLA cage, the PLA cage variants with holes had no new bone in the area of the hole or beneath the periosteum.

Conclusions

These results suggest that sufficient bone augmentation could be achieved by treating the OCP/Col disks with PTH and covering them with a PLA cage, and periosteum might not have been involved in the bone formation in this experiment.
On to the next chapter for crop breeding: Convergence with data science
Authors: Ersoz Elhan S. , Martin Nicolas F. , Stapleton Ann E.
Published: March 2020

Crop breeding is as ancient as the invention of cultivation. In essence, the objective of crop breeding is to improve plant fitness under human cultivation conditions, making crops more productive while maintaining consistency in life cycle and quality. Predictive breeding has been demonstrated in the agricultural industry and in public breeding programs for over a decade. The massive stores of data that have been generated by industry, farmers, and scholars through several decades have finally been recognized as a potential asset that can be brought to bear on specific breeding decisions. A wide range of analytical methods that were initially developed for various other quantitative disciplines, such as machine learning, deep learning, and artificial intelligence, are now being adapted for application in crop breeding to support analytics and decision making processes. This convergence between data science and crop breeding analytics is expected to address long‐standing gaps in crop breeding analytics, and realize the potential of applying advanced analytics to multidimensional data such as geospatial variables, a multitude of phenotypic responses, and genetic information. Here, we summarize the few existing examples followed by perspectives on where else these technologies would have applications to accelerate operational aspects of crop breeding and agricultural product development efforts.
Breeding a heat‐tolerant annual ryegrass for earlier fall planting in the southeastern United States
Authors: Billman Eric D. , Morrison Jesse I. , Baldwin Brian S.
Published: March 2020

Forage production in the southeastern United States relies heavily on cool‐season grasses in winter and spring. The most prolific species is annual ryegrass (Lolium multiflorum Lam.), a winter annual. Historically, secondary seed dormancy of ryegrass inhibits germination at soil temperatures in excess of 21°C. Normal planting occurs in early‐mid fall (mid‐October). However, earlier planting (Aug. or Sept.) could expand the grazing period. This work sought use of recurrent phenotypic selection (RPS) to breed an annual ryegrass cultivar that could germinate at high temperatures and survive high temperatures post‐germination. All selections were conducted in a growth chamber at 40:30°C (12:12 h, light/darkness). Germinated seedlings were subjected to 2–3 wk of 40:30°C conditions post‐germination. Selected individuals (Cycle 1) and the base germplasm (Cycle 0) were transplanted to the field in fall 2015, and harvested for seed in spring 2016. Germination tests were conducted to compare mean cumulative germination, velocity of germination within 8 d (VOG8), and realized heritability (h2) at 40:30°C. Selection was repeated twice to reach Cycle 3. Data from the 2018 germination tests indicated that germination of Cycle 3 seed (45.8%) was significantly greater (P < .001) within 14 d than that of all previous cycles. Cycle 3 VOG8 was 8 times that of Cycle 0. Total additive gene action was estimated by a calculated realized heritability of h2 = .41. These data indicate improved germination under high temperatures was achieved in nearly half the population. This will potentially allow for late‐summer planting and greater grazing time.
Investigation of plasma concentrations of paracetamol, metacetamol, and orthocetamol in Japanese racehorses using liquid chromatography–electrospray ionisation–tandem mass spectrometry
Authors: Ishii Hideaki , Obara Taku , Kijima‐Suda Isao
Published: March 2020

Paracetamol is used widely as an over‐the‐counter analgesic and antipyretic medication for humans, but not for Japanese racehorses. Paracetamol can be an environmental substance, and is found together with its two isomers, metacetamol and orthocetamol, in equine urine. However, the sources and routes of paracetamol exposure remain unclear. To control the misuse of paracetamol, it is appropriate to establish residue limits for paracetamol to differentiate the administration of paracetamol from its environmental levels. In this study, we developed and validated a quantitative method for paracetamol, metacetamol, and orthocetamol in equine plasma using liquid chromatography–electrospray ionization–tandem mass spectrometry and applied it to postrace samples from 320 Japanese racehorses for approximately 1 year. In addition, we conducted feed analysis and related pharmacokinetics simulations to evaluate the contributions from exposure via feed. The hydrolyzed plasma concentrations of paracetamol, metacetamol, and orthocetamol ranged from 0.787 to 39.8 ng/mL (median 5.87 ng/mL), 0 to 2.13 ng/mL (0.347 ng/mL), and 1.98 to 82.8 ng/mL (16.6 ng/mL), respectively. Such low concentrations of paracetamol were deemed irrelevant to therapeutic effect. Based on statistical analysis, the preliminary Japanese residue limits of unhydrolyzed and hydrolyzed paracetamol were determined to be 70.5 ng/mL and 112 ng/mL, respectively, in plasma, at a risk factor of 1 in 10,000. Furthermore, we detected paracetamol and orthocetamol in feed samples. A pharmacokinetics simulation showed that the presence of orthocetamol is most probably related to daily feed rations. As for paracetamol, feed can be one of the sources and other possible sources require further investigation.
Metal Free, Direct and Selective Deoxygenation of α‐Hydroxy Carbonyl Compounds: Access to α,α‐Diaryl Carbonyl Compounds
Authors: Sandeep  , Venugopalan Paloth , Kumar Anil
Published: March 2020

An efficient, metal free, direct and selective deoxygenation of α‐hydroxy carbonyl compounds is achieved with the aid of catalytic amount of aqueous HClO4 (70 %) and triethylsilane as hydride source. A variety of α‐hydroxy‐α,α‐diaryl carbonyl compounds are selectively deoxygenated to give α,α‐diaryl carbonyl compounds in good to excellent yields. Intermediacy of α‐keto carbenium ion is proposed on the basis of some control experiments and atmospheric pressure chemical ionization mass spectral analysis.
Necessary components of psychological treatment in pain management programs: A Delphi study
Authors: Sharpe Louise , Jones Emma , Ashton‐James Claire E. , Nicholas Michael K. , Refshauge Kathryn
Published: March 2020

Background

There are various approaches to the psychological management of chronic pain and it is difficult to know which components of psychological therapies are necessary or desirable for the effective management of chronic pain.

Methods

We conducted a Delphi study to develop a consensus on the necessary and desirable psychological intervention strategies for chronic pain management. First, we identified 49 components of treatments that had been used in a treatment evaluated in a randomized controlled trial (RCT) through a systematic review. In the first round of the Delphi process, 23 (32% of 72) authors who had completed RCTs in chronic pain took part. In round 2, these experts plus clinicians working at pain management programs around Australia were invited to take part, and 44 experts completed the study.

Results

The panel agreed that it was necessary to include psycho‐education, particularly about pain mechanisms and the role of thoughts in maintaining pain. Cognitive approaches were deemed necessary, although the panel did not specify one particular strategy. Finally, approaches to increase activity were deemed necessary, including the strategies of pacing, goal setting and graded exposure. Relaxation training and relapse prevention were also deemed necessary.

Conclusions

There was a consensus that there were many desirable strategies to include in psychological chronic pain management approaches, but that treatments should include psycho‐education, approaches to increase activity and cognitive approaches as a first line of intervention. Where patients fail to benefit from these approaches, experts identified other desirable strategies that could be utilized.

Significance

The expert consensus indicated that psycho‐education, strategies to increase activity and cognitive therapy strategies were necessary for effective psychological treatment of patients with chronic pain. While other strategies were deemed desirable, psychological treatments should include at least those three components.
Testing of acetaminophen in support of the international multilaboratory in vivo rat Pig‐a assay validation trial
Authors: van der Leede Bas‐jan , Weiner Sandy , Van Doninck Terry , De Vlieger Kathleen , Schuermans Ann , Tekle Fetene , Geys Helena , van Heerden Marjolein , De Jonghe Sandra , Van Gompel Jacky
Published: March 2020

Acetaminophen, a nonmutagenic compound as previously concluded from bacteria, in vitro mammalian cell, and in vivo transgenic rat assays, presented a good profile as a nonmutagenic reference compound for use in the international multilaboratory Pig‐a assay validation. Acetaminophen was administered at 250, 500, 1,000, and 2,000 mg·kg−1·day−1 to male Sprague Dawley rats once daily in 3 studies (3 days, 2 weeks, and 1 month with a 1‐month recovery group). The 3‐Day and 1‐Month Studies included assessments of the micronucleus endpoint in peripheral blood erythrocytes and the comet endpoint in liver cells and peripheral blood cells in addition to the Pig‐a assay; appropriate positive controls were included for each assay. Within these studies, potential toxicity of acetaminophen was evaluated and confirmed by inclusion of liver damage biomarkers and histopathology. Blood was sampled pre‐treatment and at multiple time points up to Day 57. Pig‐a mutant frequencies were determined in total red blood cells (RBCs) and reticulocytes (RETs) as CD59‐negative RBC and CD59‐negative RET frequencies, respectively. No increases in DNA damage as indicated through Pig‐a, micronucleus, or comet endpoints were seen in treated rats. All positive controls responded as appropriate. Data from this series of studies demonstrate that acetaminophen is not mutagenic in the rat Pig‐a model. These data are consistent with multiple studies in other nonclinical models, which have shown that acetaminophen is not mutagenic. At 1,000 mg·kg−1·day−1, Cmax values of acetaminophen on Day 28 were 153,600 ng/ml and 131,500 ng/ml after single and repeat dosing, respectively, which were multiples over that of clinical therapeutic exposures (2.6–6.1 fold for single doses of 4,000 mg and 1,000 mg, respectively, and 11.5 fold for multiple dose of 4,000 mg) (FDA 2002). Data generated were of high quality and valid for contribution to the international multilaboratory validation of the in vivo Rat Pig‐a Mutation Assay.
Inference of natural selection from ancient DNA
Authors: Dehasque Marianne , Ávila-Arcos María C. , Díez-del-Molino David , Fumagalli Matteo , Guschanski Katerina , Lorenzen Eline D. , Malaspinas Anna-Sapfo , Marques-Bonet Tomas , Martin Michael D. , Murray Gemma G. R. , Papadopulos Alexander S. T. , Therkildsen Nina Overgaard , Wegmann Daniel , Dalén Love , Foote Andrew D.
Published: March 2020

Evolutionary processes, including selection, can be indirectly inferred based on patterns of genomic variation among contemporary populations or species. However, this often requires unrealistic assumptions of ancestral demography and selective regimes. Sequencing ancient DNA from temporally spaced samples can inform about past selection processes, as time series data allow direct quantification of population parameters collected before, during, and after genetic changes driven by selection. In this Comment and Opinion, we advocate for the inclusion of temporal sampling and the generation of paleogenomic datasets in evolutionary biology, and highlight some of the recent advances that have yet to be broadly applied by evolutionary biologists. In doing so, we consider the expected signatures of balancing, purifying, and positive selection in time series data, and detail how this can advance our understanding of the chronology and tempo of genomic change driven by selection. However, we also recognize the limitations of such data, which can suffer from postmortem damage, fragmentation, low coverage, and typically low sample size. We therefore highlight the many assumptions and considerations associated with analyzing paleogenomic data and the assumptions associated with analytical methods.
Futuristic Clothes: Electronic Textiles and Wearable Technologies
Authors: Ismar Ezgi , Kurşun Bahadir Senem , Kalaoglu Fatma , Koncar Vladan
Published: March 2020

This review summarizes the recent developments and importance of wearable electronic textiles in the past decade. Wearable electronic textiles are an emerging interdisciplinary research area that requires new design approaches. This challenging interdisciplinary research field brings together specialists in electronics, information technology, microsystems, and textiles to make an innovation in the development of wearable electronic products. Wearable electronic textiles play a key role among various technologies (clothing, communication, information, healthcare monitoring, military, sensors, magnetic shielding, etc.). In this review, applications of wearable electronic textiles are described, including an investigation of their fabrication techniques. This review highlights the basic processes, possible applications, and main materials to build wearable E‐textiles and combines the fundamentals of E‐textiles for the readers who have different backgrounds. Moreover, reliability, reusability, and efficiency of wearable electronic textiles are discussed together with the opportunities and drawbacks of the wearable E‐textiles that are addressed in this review article.
Constraining the biotic transitions across the end‐Ordovician mass extinction in South China: Bio‐ and chemostratigraphy of the Wulipo Formation in the Meitan area of northern Guizhou
Authors: Wang Guangxu , Wei Xin , Luan Xiaocong , Wu Rongchang , Percival Ian G. , Zhan Renbin
Published: March 2020

The richly fossiliferous succession of the Wulipo Formation in the Huangjiaba area near Meitan in northern Guizhou, SW China, represents one of the very rare records of shelly fauna across the Ordovician and Silurian transition worldwide. This area is therefore crucial for understanding the pattern and dynamics of the end‐Ordovician mass extinction (EOME). Historically, the Wulipo Formation was dated as middle Rhuddanian (early Silurian). However, its fauna shows a close affinity with Transitional Benthic Fauna 3 (TBF 3), now known to be confined within the late Hirnantian (latest Ordovician) in well‐constrained successions globally. Here we present for the first time, chemostratigraphic data from the Wulipo Formation which confirm the presence of the Hirnantian Isotope Carbon Excursion. A critical review of faunal evidence further indicates a late Hirnantian age for this formation, and thus the hitherto only known anomalous TBF 3 record documented from South China is convincingly redated. The important implication is that the substantial biotic recovery after the EOME commenced globally at the very beginning of the Silurian with an overall amelioration of physical conditions. The new findings also suggest a much wider distribution of postglacial warm‐water benthic faunas on the Yangtze Platform during the late Hirnantian than previously envisaged.
Acrylate Esters by Ethenolysis of Maleate Esters with Ru Metathesis Catalysts: an HTE and a Technoeconomic Study
Authors: Engl Pascal S. , Tsygankov Alexey , De Jesus Silva Jordan , Lange Jean‐Paul , Copéret Christophe , Togni Antonio , Fedorov Alexey
Published: March 2020

A high throughput experimentation (HTE) study identified active Ru metathesis catalysts and reaction conditions for the ethenolysis of maleate esters to the respective acrylate esters. Catalysts were tested at various loadings (75–10’000 ppm) and temperatures (30–60 °C) with maleate esters dissolved in toluene (up to ca. 44 wt‐%) or neat and at variable partial pressures of ethylene (0.2–10 bar). Ruthenium catalysts containing a PCy3 ligand, such as 1st or 2nd generation Grubbs catalysts, as well as the state‐of‐the‐art catalysts containing cyclic alkyl amino carbene (CAAC) ligands, are generally inferior to Hoveyda–Grubbs 2nd generation catalyst in ethenolysis of maleates. Productive turnover numbers could exceed 1900 if the ethenolysis reaction is performed at low ethylene pressure (0.2–3 bar) and reach 5200 when a polymeric phenol additive was used. Such catalytic performance falls well within the window practiced in industry. Moreover, a crude technoeconomic analysis finds similar production cost for the ethenolysis route and conventional technology, that is, propene oxidation followed by esterification, justifying research to further improve the ethenolysis route.