bluuebunny/crossref_metadata_2025_split huggingface dataset:
Characterization of root traits for improvement of spring wheat in the Pacific Northwest
Authors: Ghimire Bikash , Hulbert Scot H. , Steber Camille M. , Garland‐Campbell Kim , Sanguinet Karen A. 
Published: January 2020

AbstractUnderstanding the genetic basis of root traits provides essential information on a largely untapped resource for crop improvement, as roots are instrumental for the uptake of water and nutrients. However, breeding for improved root traits is challenging due to laborious and time‐consuming root phenotyping in soil. Our studies sought to uncover spatiotemporal root‐growth dynamics of mature plant root systems in five spring wheat (Triticum aestivum L.) cultivars, Louise, Alpowa, Hollis, Drysdale, and Dharwar Dry, and a facultative spring landrace, AUS28451 using the in situ minirhizotron technique. The 2‐yr greenhouse study revealed that the root system grows rapidly after early node elongation to gain maximum size during anthesis, after which root growth slows and transitions to senescence. We were able to detect quantifiable differences among wheat cultivars in root traits in both 5‐d old seedlings and root systems at anthesis. Furthermore, the positive correlation of the observed root traits with grain yield and the consistency in root traits observed using minirhizotrons and through extraction of young and mature root systems has reinforced the experimental results. A negative correlation was found between root number, area, and length and root diameter. We found that the spring wheat cultivars, AUS28451, Dharwar Dry, and Alpowa, had increased root number, area, and length, but also increased time to heading. The results from this study can be further leveraged to screen breeding lines for root traits of interest, as well as assess the heritability of root traits for dryland farming in the inland Pacific Northwest.
Modeling of an industrial scale hydrodynamic cavitation multiphase reactor for Prileschajew epoxidation
Authors: Wu Zhenyu , Cai Jinjin , Liu Zhonghui , Wu Lihang , Liang Xiaojiang , Xie Qinglong , Lu Meizhen , Yu Fengwen , Nie Yong , Ji Jianbing 
Published: January 2020

AbstractThe hydrodynamic cavitation multiphase reactor (HCMR) is emerging as a promising alternative for the intensification of liquid–liquid heterogeneous reactions, but research on HCMR modeling is lacking. In this article, an HCMR model was developed using Prileschajew epoxidation as the model system. First, based on experimental measurements of oil/water two‐phase flow downstream of hydrodynamic cavitation devices, semiempirical correlations were proposed to describe the droplet size and droplet size distribution (DSD) as functions of flow conditions and geometry parameters. Then, with boundary conditions calculated by the DSD correlation, a droplet dynamics simulation in a reaction tank was performed by computational fluid dynamics coupled with population balance model to obtain the two‐phase interfacial area. Finally, the acquired reactor model was substituted into an overall kinetic model, to simulate the epoxidation reaction in HCMR. Model predictions were verified by experimental results measured on an industrial scale HCMR.
A heavy metal baseline score predicts outcome in acute myeloid leukemia
Authors: Ohanian Maro , Telouk Philippe , Kornblau Steven , Albarede Francis , Ruvolo Peter , Tidwell Rebecca S. S. , Plesa Adriana , Kanagal‐Shamanna Rashmi , Matera Eva‐Laure , Cortes Jorge , Carson Arch , Dumontet Charles 
Published: January 2020

AbstractDespite abundant epidemiological data linking metals to leukemia and other cancers, baseline values of toxic and essential metals in patients with leukemia and the clinical impact of these metals remain unknown. Thus, we sought to quantify metal values in untreated patients with acute myeloid leukemia (AML) and controls and determine the impact of metal values on AML patients' survival. Serum samples from patients with untreated AML and controls at Hospices Civils de Lyon were analyzed and compared for trace metals and copper isotopic abundance ratios with inductively coupled plasma mass spectrometry. Survival analysis was performed as a function of metal values, and a multi‐metal score was developed for patients with AML. Serum samples were collected from 67 patients with untreated AML and 94 controls. Most patients had intermediate‐risk cytogenetics (63.1%) without FLT3internal tandem duplication mutations (75.6%) orNPM1mutations (68.1%). Most metal values differed significantly between AML and control groups. Patients with lower magnesium and higher cadmium values had the worst survival rates, with only 36% surviving at 6 months (P= .001). The adverse prognostic effect of this combination was maintained on multivariate analysis. Based on this, we developed a novel metal score, which accounts for multiple relative abnormalities in the values of five toxic and five essential metals. Patients with a higher metal score had significantly worse survival, which was maintained on multivariate analysis (P= .03). This baseline metal scoring system was also prognostic when we applied it to a separate population of front‐line AML patients.
Regioselective Carboiodination of Styrenes: N‐Iodosuccinimide Affords Complete Reaction Regioselectivity
Authors: Goto Mayuki , Maejima Saki , Yamaguchi Eiji , Itoh Akichika 
Published: January 2020

AbstractIn organic synthesis, the regioselective bifunctionalization of olefins remains an unmet challenge. In this study, the cationic iodine‐mediated complete β‐selective carboiodoination of styrene and styrene‐like compounds with Meldrum's acid was achieved. The reaction, thus developed, proceeded with the formation of a C−C bond at the olefin's β‐position and a C−I bond at its β‐position, via a single‐step reaction between Meldrum's acid and an iodonium intermediate. The developed strategy suppresses the formation of undesired side‐reactions, resulting from α‐selective carboiodoination. To demonstrate the developed methodology's potential, synthetic transformations were also performed, starting from the generated carboiodinated products.
Cardiac arrest during hemodialysis: a survey of five Japanese hospitals
Authors: Tanaka Taku , Nomura Yu , Hirama Chie , Takamatsu Yuka , Wakatake Haruaki , Suzuki Toshihiko , Kawarazaki Hiroo , Sakurada Tsutomu , Fujitani Shigeki , Taira Yasuhiko 
Published: January 2020

AimIntraprocedural cardiac arrest is a serious complication among patients receiving hemodialysis. However, the frequency and reaction to these events remain unclear. This study aimed to explore the clinical picture of cardiac arrest during hemodialysis.MethodsTen cardiac arrests that had occurred during 217,984 hemodialysis treatments in five Japanese hospitals, between 2008 and 2017, were reviewed. We investigated the underlying disease, vital signs, emergency responses, and outcomes using patient medical records.ResultsThe cardiac arrest rate ranged from 1.1 to 7.5 per 100,000 hemodialysis sessions. All included cases of cardiac arrest occurred in a hemodialysis unit and had been witnessed and reported by supervising clinicians. The initial rhythm was ventricular fibrillation/ventricular tachycardia in six patients (60%) and pulseless electrical activity/asystole in four patients (40%). Seven (70%) patients showed a return of spontaneous circulation (ROSC), and two (20%) patients were discharged with a cerebral performance category score of 1. There was a statistically significant difference in the ROSC rate (P = 0.048) only in the event of an emergency call. The SpO2 and respiratory rates had not been recorded in six patients. There was no significant difference in ROSC between initial rhythms of ventricular fibrillation/ventricular tachycardia and pulseless electrical activity/asystole.ConclusionWe evaluated the frequency of cardiac arrest during hemodialysis. Overall assessment including respiratory status is needed at initiation of hemodialysis. In case of a sudden change in a patient’s status, high‐quality resuscitation treatment that includes an emergency call can improve prognosis.
Molecular Porous Photosystems Tailored for Long‐Term Photocatalytic CO2 Reduction
Authors: Wisser Florian M. , Duguet Mathis , Perrinet Quentin , Ghosh Ashta C. , Alves‐Favaro Marcelo , Mohr Yorck , Lorentz Chantal , Quadrelli Elsje Alessandra , Palkovits Regina , Farrusseng David , Mellot‐Draznieks Caroline , de Waele Vincent , Canivet Jérôme 
Published: January 2020

AbstractThe molecular‐level structuration of two full photosystems into conjugated porous organic polymers is reported. The strategy of heterogenization gives rise to photosystems which are still fully active after 4 days of continuous illumination. Those materials catalyze the carbon dioxide photoreduction driven by visible light to produce up to three grams of formate per gram of catalyst. The covalent tethering of the two active sites into a single framework is shown to play a key role in the visible light activation of the catalyst. The unprecedented long‐term efficiency arises from an optimal photoinduced electron transfer from the light harvesting moiety to the catalytic site as anticipated by quantum mechanical calculations and evidenced by in situ ultrafast time‐resolved spectroscopy.
Triple‐Helix‐Stabilizing Effects in Collagen Model Peptides Containing PPII‐Helix‐Preorganized Diproline Modules
Authors: Maaßen Andreas , Gebauer Jan M. , Theres Abraham Elena , Grimm Isabelle , Neudörfl Jörg‐Martin , Kühne Ronald , Neundorf Ines , Baumann Ulrich , Schmalz Hans‐Günther 
Published: January 2020

AbstractCollagen model peptides (CMPs) serve as tools for understanding stability and function of the collagen triple helix and have a potential for biomedical applications. In the past, interstrand cross‐linking or conformational preconditioning of proline units through stereoelectronic effects have been utilized in the design of stabilized CMPs. To further study the effects determining collagen triple helix stability we investigated a series of CMPs containing synthetic diproline‐mimicking modules (ProMs), which were preorganized in a PPII‐helix‐type conformation by a functionalizable intrastrand C2 bridge. Results of CD‐based denaturation studies were correlated with calculated (DFT) conformational preferences of the ProM units, revealing that the relative helix stability is mainly governed by an interplay of main‐chain preorganization, ring‐flip preference, adaptability, and steric effects. Triple helix integrity was proven by crystal structure analysis and binding to HSP47.
Heavy‐Atom Tunneling in Organic Reactions
Authors: Castro Claire , Karney William L. 
Published: January 2020

AbstractIn the past few years, numerous investigations have been reported on the role of heavy‐atom tunneling in the area of pericyclic reactions, π‐bond‐shifting, and other processes. These studies illustrate unique strategies for the experimental detection of heavy‐atom tunneling and the increased use of calculations to predict it. This Minireview focuses primarily on carbon tunneling in ground‐state processes but also highlights nitrogen tunneling and the first example of excited‐state heavy‐atom tunneling. Salient features of these reactions along with potential limitations are discussed, as well as challenges and directions for future investigation.
Mechanical Force Induces Ylide‐Free Cycloaddition of Nonscissible Aziridines
Authors: Jung Sangmin , Yoon Hyo Jae 
Published: January 2020

AbstractThe application of aziridines as nonvulnerable mechanophores is reported. Upon exposure to a mechanical force, stereochemically pure nonactivated aziridines incorporated into the backbone of a macromolecule do not undergocis–transisomerization, thus suggesting retention of the ring structure under force. Nonetheless, aziridines react with a dipolarophile and seem not to obey conventional reaction pathways that involve C−C or C−N bond cleavage prior to the cycloaddition. Our work demonstrates that a nonvulnerable chemical structure can be a mechanophore.
Electrochemiluminescence Waveguide in Single Crystalline Molecular Wires
Authors: Guo Weiliang , Ding Hao , Zhou Ping , Wang Yafeng , Su Bin 
Published: January 2020

AbstractHere we report the first observation of active waveguide of electrochemiluminescence (ECL) in single crystalline molecular wires self‐assembled from cyclometalated iridium(III) complexes, namely tris(1‐phenylisoquinoline‐C2, N) (Ir(piq)3). Under dark conditions, the molecular wires deposited on the electrode surface can act as both ECL emitters and active waveguides. As revealed by ECL microscopy, they exhibit the typical characteristics of optical waveguides, transmitting ECL and generating much brighter ECL emission at their terminals. Moreover, self‐generated ECL can be confined inside the molecular wire and propagates along the longitudinal direction as far as ≈100 μm to the terminal out of touch with the electrode. Therefore, this one‐dimensional crystalline molecular wire‐based waveguide offers the opportunity to switch the electrochemically generated ECL to remote light emission in non‐conductive regions and is promising for contactless electrochemical analysis and study of (bio)chemical systems.
Development of a Cross‐Conjugated Vinylogous [4+2] Anionic Annulation and Application to the Total Synthesis of Natural Antibiotic (±)‐ABX
Authors: Huang Jing‐Kai , Shia Kak‐Shan 
Published: January 2020

AbstractThe cross‐conjugated vinylogous [4+2] anionic annulation has been newly developed, the cascade process of which has a high preference for regiochemical control and chemoselectivity, giving rise to exclusively Michael‐type adducts in moderate to high yields (up to 94 %, 35 examples). By making use of this approach as a key operation, the first total synthesis of natural antibiotic ABX, in racemic form, has been successfully achieved in a concise 7‐step sequence with an overall yield of about 20 %.
Multi‐Photon Excitation in Photoredox Catalysis: Concepts, Applications, Methods
Authors: Glaser Felix , Kerzig Christoph , Wenger Oliver S. 
Published: January 2020

AbstractThe energy of visible photons and the accessible redox potentials of common photocatalysts set thermodynamic limits to photochemical reactions that can be driven by traditional visible‐light irradiation. UV excitation can be damaging and induce side reactions, hence visible or even near‐IR light is usually preferable. Thus, photochemistry currently faces two divergent challenges, namely the desire to perform ever more thermodynamically demanding reactions with increasingly lower photon energies. The pooling of two low‐energy photons can address both challenges simultaneously, and whilst multi‐photon spectroscopy is well established, synthetic photoredox chemistry has only recently started to exploit multi‐photon processes on the preparative scale. Herein, we have a critical look at currently developed reactions and mechanistic concepts, discuss pertinent experimental methods, and provide an outlook into possible future developments of this rapidly emerging area.
Polycaprolactone blends for fracture fixation in low load‐bearing applications
Authors: Bou‐Francis Antony , Piercey Marta , Al‐Qatami Omar , Mazzanti Gianfranco , Khattab Rabie , Ghanem Amyl 
Published: January 2020

ABSTRACTThere is a need to replace surgical plates and screws in orthopedic surgery. Absorbable polymers are an alternative to metal where load bearing is of a less concern. Polycaprolactone (PCL) is biocompatible, yet it has low mechanical strength and its surface chemistry does not promote cell adhesion. The objective of this work was to create PCL adhesive blends with poly(glycolic) acid (PGA), thermoplastic starch (TPS), chitosan, and tricalcium phosphate (TCP) to be used as potential fracture fixation devices. The differential scanning calorimetry (DSC) data showed that the primary melting points (T
m1 °C) of blends were often lower than PCL, with the exception of chitosan blends, which may indicate an improvement for surgical use. PCL/PGA blends showed secondary and tertiary melting points (T
m) and enthalpies (ΔH
m) indicating poor miscibility of PGA in the blends. The binary PCL/TCP mixture has a higher enthalpy compared to the binary PCL/PGA blend, but the secondary melting temperature is lower in ternary mixtures. Ternary blends of PCL/PGA/TCP, however, retained the adhesive strength of the parent PCL adhesive while having an improvement in hydrophilicity. These blends are recommended for fracture fixation devices especially in low load‐bearing applications such as maxillofacial surgery, orthopedics, and neurosurgery. © 2020 Wiley Periodicals Inc. J. Appl. Polym. Sci. 2020, 137, 48940.
Effects of sorbitol and formamide plasticizers on molecular motion in corn starch studied using NMR and DMTA
Authors: Baran A. , Vrábel P. , Kovaľaková M. , Hutníková M. , Fričová O. , Olčák D. 
Published: January 2020

ABSTRACTMechanical and thermal properties of composite polymer materials strongly depend on their local structure and molecular dynamics which can be effectively studied by the solid‐state nuclear magnetic resonance (NMR) techniques. In the present paper, the influence of formamide (F) and sorbitol (S) plasticizers on molecular motion in thermoplastic starch (TPS) was studied using solid‐state NMR spectroscopy and dynamic mechanical thermal analysis (DMTA). DMTA measurements carried out for formamide‐ (F‐TPS) and sorbitol‐plasticized (S‐TPS) corn starches indicated heterogeneous plasticizer distribution of plasticizer‐rich and starch‐rich phases within the samples. The single pulse and cross‐polarization13C NMR spectra measured for both plasticized starches confirmed the amorphous character of their structure and distinctly different chain mobility supported by the values of13C spin–lattice relaxation times. The results of the analysis of broad line and magic angle spinning1H NMR spectra are in accordance with the results of DMTA measurements, revealing lower mobility of starch chains within S‐TPS in comparison to F‐TPS. Crosslinking of the starch chains with sorbitol molecules was suggested as being responsible for the lower mobility of the starch chains in S‐TPS. © 2020 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2020,137, 48964.
Interdiffusion during film formation of ionically cross‐linked acrylics investigated with Förster resonance energy transfer (FRET)
Authors: Wahdat Hares , Gerst Matthias , Möbius Stephan , Adams Jörg 
Published: January 2020

ABSTRACTPolymer interdiffusion is crucial to obtain continuous films from aqueous polymer dispersions. Here, interdiffusion in films from dispersions of acrylates which were ionically cross‐linked prior to film formation was studied by Förster resonance energy transfer analysis. Dispersions of copolymers of n‐butyl acrylate, methacrylic acid, and zinc dimethacrylate (ZnDMA) were investigated. ZnDMA was used as a co‐monomer to ionically cross link the polymers during the synthesis. Ionic cross‐linking does not prevent interdiffusion even at high gel contents. Interdiffusion data were compared with results of tensile tests on final films. Films of ionically cross‐linked polymers fracture at both higher stress and strain than films of covalently cross‐linked polymers. Further interdiffusion studies addressed effects of temperature and humidity. Both increased temperature and humidity accelerate interdiffusion of ionically cross‐linked polymers. Thus, using ZnDMA allows for preparing dispersions which can form continuous films. Also, no volatile organic compounds are released during the film formation. © 2020 The Authors. Journal of Applied Polymer Science published by Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020, 137, 48972.
Composite nonlinear feedback with dynamic event‐triggered mechanism for control systems in the presence of saturation nonlinearity
Authors: Zuo Zhiqiang , Cheng Haorui , Xie Pengfei , Wang Yijing , Li Hongchao 
Published: January 2020

AbstractA composite nonlinear feedback (CNF) control with dynamic event‐triggered strategy for saturated systems is considered in this paper. The CNF control is introduced to improve the system response speed and reduce the overshoot under disturbances. The dynamic event‐triggered mechanism (DETM) is utilized to save more communication resources. The focus of this paper is to achieve the asymptotic tracking of saturated systems by combining DETM with CNF control. A criterion is presented to guarantee that the system can track the reference input signal asymptotically. Zeno behavior is eliminated by proving the minimum time interval is greater than zero. Finally, simulations are carried out to verify the correctness of the proposed results.
Gassing Behavior of High‐Entropy Oxide Anode and Oxyfluoride Cathode Probed Using Differential Electrochemical Mass Spectrometry
Authors: Breitung Ben , Wang Qingsong , Schiele Alexander , Tripković Đorđije , Sarkar Abhishek , Velasco Leonardo , Wang Di , Bhattacharya Subramshu S. , Hahn Horst , Brezesinski Torsten 
Published: January 2020

AbstractMulticomponent materials may exhibit favorable Li‐storage properties because of entropy stabilization. While the first examples of high‐entropy oxides and oxyfluorides show good cycling performance, they suffer from various problems. Here, we report on side reactions leading to gas evolution in Li‐ion cells using rock‐salt (Co0.2Cu0.2Mg0.2Ni0.2Zn0.2)O (HEO) or Li(Co0.2Cu0.2Mg0.2Ni0.2Zn0.2)OF (Li(HEO)F). Differential electrochemical mass spectrometry indicates that a robust solid‐electrolyte interphase layer is formed on the HEO anode, even when using an additive‐free electrolyte. For the Li(HEO)F cathode, the cumulative amount of gases is found by pressure measurements to depend strongly on the upper cutoff potential used during cycling. Cells charged to 5.0 V versus Li+/Li show the evolution of O2, H2, CO2, CO and POF3, with the latter species being indirectly due to lattice O2 release as confirmed by electron energy loss spectroscopy. This result attests to the negative effect that lattice instability at high potentials has on the gassing.
Biosynthesis and Structure–Activity Relationship Investigations of the Diazeniumdiolate Antifungal Agent Fragin
Authors: Sieber Simon , Daeppen Christophe , Jenul Christian , Mannancherril Vidya , Eberl Leo , Gademann Karl 
Published: January 2020

AbstractOnly a few natural products incorporating a diazeniumdiolate moiety have been isolated, and these compounds usually display a broad range of biological activities. Only recently has the first diazeniumdiolate natural product biosynthetic gene cluster been identified in Burkholderia cenocepacia H111, which produces the fungicide (−)‐fragin and the signal molecule rac‐valdiazen. In this study, l‐valine was identified as the initial substrate of (−)‐fragin biosynthesis with the aid of feeding experiments using isotopically labelled amino acid. The formation of the diazeniumdiolate was chemically studied with several proposed intermediates. Our results indicate that the functional group is formed during an early stage of the biosynthesis. Furthermore, an oxime compound was identified as a degradation product of (−)‐fragin and was also observed in the crude extract of the wild‐type strain. Moreover, a structure–activity relationship analysis revealed that each moiety of (−)‐fragin is essential for its biological activity.
Clar Rules the Electronic Properties of 2D π‐Conjugated Frameworks: Mind the Gap
Authors: Strutyński Karol , Mateo‐Alonso Aurelio , Melle‐Franco Manuel 
Published: January 2020

AbstractThe key electronic properties of a family of 2D frameworks structurally convergent with holey graphenes were studied. The bandgap of these materials decreases monotonically with size, showing a common trend with anthracenes and kekulenes. This was rationalized by Clar's sextet rule, which reveals a direct relationship between the molecular systems and the 2D frameworks. In addition, a detailed benchmark against experimental data showcased the high quality of the models, which reproduce accurately available electronic properties. Overall, it was shown that DFT can be used to screen and understand the intrinsic bandgaps and electrochemistry potentials for technological applications prior to the synthesis of π‐conjugated porous materials.