bluuebunny/crossref_metadata_2025_split huggingface dataset:
Catalytic Intramolecular Coupling of Ketoalkenes by Allylic C(sp3)−H Bond Cleavage: Synthesis of Five‐ and Six‐Membered Carbocyclic Compounds
Authors: Mita Tsuyoshi , Uchiyama Masashi , Sato Yoshihiro 
Published: January 2020

AbstractIn the presence of a catalytic amount of cobalt(II) acetylacetonate/Xantphos in combination with trimethylaluminum, various ketoalkenes underwent an intramolecular cyclization reaction triggered by cleavage of the allylic C(sp3)−H bond, affording carbocyclic compounds with high regio‐ and diastereoselectivity. Mono‐, bi‐, and tricarbocyclic compounds were produced in good yields. One of the products thus obtained was derivatized into tramadol in four simple steps. Notably, these intramolecular cyclizations took place in the absence of a gem‐disubstituent on the tethered carbon chain (without the Thorpe‐Ingold effect).magnified image
Winter canola response to soil and fertilizer nitrogen in semiarid Mediterranean conditions
Authors: Porter Marissa J. , Pan William L. , Schillinger William F. , Madsen Isaac J. , Sowers Karen E. , Tao Haiying 
Published: January 2020

AbstractIn the semiarid dryland wheat (Triticum aestivum L.) region of the U.S. inland Pacific Northwest, winter canola (WC) (Brassica napus L.) is an economically viable rotation crop. Winter canola produces marketable end‐products while improving soil health and disrupting pest and disease cycles. Although annual production of WC in Washington State has increased in the recent decade, little regional fertility research has been conducted. As a result, WC is commonly fertilized in a manner similar to hard red spring wheat. Compared with wheat, WC has a deep and aggressive tap root system that can grow to depths of 180 cm to reach nutrients and water. Thus, WC requires a different N management strategy than wheat. Field experiments were conducted to evaluate the influence of soil residual N and fertilizer N application rate (range, 0–240 kg N ha−1) and timing (fall, spring, or split fall/spring) on WC yield and oil and protein concentrations. The study took place over a 2‐yr period at seven locations across four agroecological classes. There was no yield response to N rate at six of the seven sites due to canola's high N uptake efficiency and the soils’ high residual N (92–224 kg inorganic N ha−1) after wheat–fallow. Increasing N rates and split or spring application resulted in lower oil/protein ratios. In addition, maximum yields correlated with total available water. Therefore, N management for WC should be based on soil test residual + mineralizable N, total available water, and end‐use quality.
Effect of anisotropic microstructures on fluid–particle drag in low‐Reynolds‐number monodisperse gas–solid suspensions
Authors: Ma Teng , Yu Yaxiong , Chen Xiao , Zhou Qiang 
Published: January 2020

AbstractLocal structural anisotropy prevails in gas–solid suspensions. It causes strong fluctuations in the drag on individual particles. In this work, the anisotropy of microstructures is quantified by a second‐order structure tensor, which is determined with a directionally dependent mean free path length. Direct numerical simulations of low‐Reynolds‐number flows past anisotropic and isotropic BCC, FCC, and random arrays of monodisperse spheres in sufficiently large domains are performed. The results show that, at the same solid volume fraction, the differences between the mean drag in principal directions of anisotropic arrays and that in isotropic arrays correlate well with functions of eigenvalues of the structure tensor for the anisotropic arrays. Anisotropic drag models for different arrays are proposed. Assessment of the model for random arrays shows that it well captures fluctuations in the mean drag at microscales of several sphere diameters, where the traditional model fails to give satisfactory predictions.
Commingled crypts: Comparative health among Byzantine monastics in the Levant
Authors: Judd Margaret A. 
Published: January 2020

AbstractObjectivesEarly Byzantine (A.D. 330–842) monastic rules stipulated that entrants relinquished familial connections, personal belongings and secular relationships to become part of the ascetic collective that continued in death, resulting in bioarchaeological marginalization, as was the case of the monastics excavated from the Chapel of Robebus at Mount Nebo, Jordan (ca. A.D. 491–640). It was hypothesized that compared to contemporary monastic groups, the Mount Nebo monastics experienced poorer health and gravitated to Mount Nebo, owing to its association with the Prophet Moses and proximity to the Dead Sea, Livias baths and Jordan River, all associated with curative benefits, especially for those suffering from leprosy.Materials and MethodsThe commingled remains of 73 adult males from Mount Nebo and the articulated skeletons (n = 27) from the Sanctuary of Agios Lot at Deir 'Ain 'Abata (Jordan) were assessed for paleopathology, then compared with a contemporary commingled group from the Monastery of Saint Euthymius at Khan‐el‐Ahmar (Judean Desert) (n = 117).ResultsNo skeletal evidence of leprosy was observed among the groups. Most Mount Nebo individuals did not reach an older age, yet injuries, severe osteoarthritis, lower leg osteoperiostitis and antemortem tooth loss were common. The paleopathological profile was similar at Deir 'Ain 'Abata, but paleopathology was negligible at Khan‐el‐Ahmar.ConclusionsThe similar paleopathological profiles of the Jordanian monastic groups suggest that the proximity to the Dead Sea may have attracted monastics to both sites, in addition to spirituality, but leprosy was not a factor based on the skeletal evidence.
Graphene‐based polymer composites with ultra‐high in‐plane thermal conductivity: A comparison study between optothermal Raman spectroscopy and laser flash method
Authors: Tarhini Ali , Tehrani‐Bagha A. R. , Kazan Michel 
Published: January 2020

ABSTRACTWe developed a simple solution mixing and molding process for the incorporation of graphene nano‐flakes (GNFs) in polymer films. Poly(vinylidene fluoride‐co‐hexafluoropropylene) (PVDF‐HFP) and poly(ethylene‐co‐methacrylic acid) (PEMAA) were used for preparation of the samples. The orientation and stacking of GNFs were confirmed using a scanning electron microscope. The thermal conductivity values for these composites were obtained using (1) laser flash method (commercially available) and (2) an optothermal Raman (OTR) technique (homemade device). The former measures the thermal diffusivity (α) and one needs to measure the density (ρ) and the heat capacity (Cp) of the composites in order to measure the in‐plane thermal conductivity (κ = α.ρ.Cp), while the latter measures the in‐plane thermal conductivity directly from the relation between the excitation power and the position of the Raman resonance. The data obtained from Raman spectroscopy were analyzed, assuming heat propagation in three and two dimensions. The Raman results obtained based on the two‐dimensional model were very close to the results obtained using the laser flash method with less than 10% difference. The OTRspectroscopy was found to be a promising technique for measuring the in‐plane thermal conductivity of carbon‐based polymer composites. PVDF‐HFP and PEMAA composite films with very high in‐plane thermal conductivity (25 W m−1 K−1) were obtained through the incorporation of GNFs (20 wt % concentration). Considering a very low thermal conductivity of these polymers (<0.2 W m−1 K−1), this corresponds to a large enhancement of roughly 12 400%. © 2020 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020, 137, 48927.
Rational Design of a Near‐infrared Fluorescence Probe for Ca2+ Based on Phosphorus‐substituted Rhodamines Utilizing Photoinduced Electron Transfer
Authors: Takahashi Shodai , Hanaoka Kenjiro , Okubo Yohei , Echizen Honami , Ikeno Takayuki , Komatsu Toru , Ueno Tasuku , Hirose Kenzo , Iino Masamitsu , Nagano Tetsuo , Urano Yasuteru 
Published: January 2020

AbstractFluorescence imaging in the near‐infrared (NIR) region (650–900 nm) is useful for bioimaging because background autofluorescence is low and tissue penetration is high in this range. In addition, NIR fluorescence is useful as a complementary color window to green and red for multicolor imaging. Here, we compared the photoinduced electron transfer (PeT)‐mediated fluorescence quenching of silicon‐ and phosphorus‐substituted rhodamines (SiRs and PRs) in order to guide the development of improved far‐red to NIR fluorescent dyes. The results of density functional theory calculations and photophysical evaluation of a series of newly synthesized PRs confirmed that the fluorescence of PRs was more susceptible than that of SiRs to quenching via PeT. Based on this, we designed and synthesized a NIR fluorescence probe for Ca2+, CaPR‐1, and its membrane‐permeable acetoxymethyl derivative, CaPR‐1 AM, which is distributed to the cytosol, in marked contrast to our previously reported Ca2+ far‐red to NIR fluorescence probe based on the SiR scaffold, CaSiR‐1 AM, which is mainly localized in lysosomes as well as cytosol in living cells. CaPR‐1 showed longer‐wavelength absorption and emission (up to 712 nm) than CaSiR‐1. The new probe was able to image Ca2+ at dendrites and spines in brain slices, and should be a useful tool in neuroscience research.
The photon time delay in magnetized vacuum magnetosphere
Authors: Romero Jorge Adrian William , Rodriguez Querts Elizabeth , Perez Rojas Hugo , Perez Martínez Aurora , Cruz Rodríguez Lidice , Piccinelli Bocchi Gabriella , Rueda Jorge Armando 
Published: January 2020

AbstractWe study the transverse propagation of photons in a magnetized vacuum considering radiative corrections in the one‐loop approximation. The dispersion equation is modified due to the magnetized photon self‐energy in the transparency region (0 < ω < 2me). The aim of our study is to explore the propagation of photons in a neutron star magnetosphere (described by a magnetized vacuum). The solution of the dispersion equation is obtained in terms of analytic functions. The larger the magnetic field, the higher the phase velocity and the more the dispersion curve deviates from the light‐cone. For fixed values of the frequency, we study the dependence of photons time delay with the magnetic field strength, as well as with distance. For the latter, we adopt a magnetic dipole configuration and obtain that, contrary to the expectation, photons of higher energy experience a longer time delay. A discussion of potential causes of this behavior is presented.
Astrophysical stochastic gravitational wave background
Authors: de Freitas Pacheco José Antonio 
Published: January 2020

AbstractThe stochastic gravitational wave background produced by supernovas, magnetars, and merger of binaries constituted of a pair of compact objects is reviewed and updated. The merger of systems composed of two black holes dominates by far the background signal, whose amplitude in the range 10–100 Hz is above the sensitivity of the planned Einstein laser interferometer (ET). The background signal at 25 Hz estimated by the laser interferometric gravitational observatory (LIGO)‐VIRGO collaboration, based on the available merger detection data, is in good agreement with the present theoretical predictions.
The distribution of neutron star masses
Authors: Rocha Lívia S. , Bernardo Antônio , Horvath Jorge E. , Valentim Rodolfo , de Avellar Marcio G. B. 
Published: January 2020

AbstractFrom the beginning of current century to the present, the sample of observed neutron star (NS) with measured masses grew owing to the great effort in the observational field, and the so‐called “canonical” unique value formerly attributed to NS at birth was put into question. Different groups pointed out the existence of different channels for a NS formation, possibly leading to a multimodal distribution. We employ in the present work tools from frequentist and Bayesian analysis to test some inferences about the mass distribution of neutron stars, in order to clarify if the observed objects belong to the same populations or show differences at the birth/evolutionary history.
Urine metabolomics study of Bushen Huoxue Prescription on diabetic retinopathy rats by UPLC–Q‐exactive Orbitrap–MS
Authors: Wang Xin , Li Yang , Xie Mengjun , Deng Liping , Zhang Mei , Xie Xuejun 
Published: January 2020

AbstractDiabetic retinopathy (DR) is a common microvascular complication of diabetes and remains one of the leading causes of blindness worldwide. Previous studies have shown that Bushen Huoxue Prescription (BP) possesses an effect on preventing and treating DR, but the mechanisms of action are not entirely clear. In order to clarify the mechanisms, the pharmacodynamical assessments of BP were investigated. Combining the pharmacodynamical studies, it was found that BP could inhibit high expression of VEGF and HIF‐1α, indicating significant therapeutic effects on DR. In order to further investigate the mechanism of BP in treating DR, a urine metabolomics method based on ultrahigh‐performance liquid chromatography coupled with Q‐exactive quadrupole‐electrostatic field Orbitrap mass spectrometry was established to observe the metabolic variations in DR rats and investigate the therapeutic effect of BP on DR. As a result, nine potential biomarkers associated with DR were found. The metabolic pathways related to these compounds were explored, and the results showed that these biomarkers were mainly associated with gut microbial metabolism, lipid metabolism and tryptophan metabolism. The results for the pharmacodynamics and metabolomics provided a theoretical basis for clarifying the mechanism of BP in the treatment of DR.
Metabolomics analysis of the hippocampus in a rat model of traumatic brain injury during the acute phase
Authors: Zheng Fei , Zhou Yan‐Tao , Feng Dan‐Dan , Li Peng‐Fei , Tang Tao , Luo Jie‐Kun , Wang Yang 
Published: January 2020

AbstractBackgroundTraumatic brain injury (TBI) has increased in rank among traumatic injuries worldwide. Traumatic brain injury is a serious obstacle given that its complex pathology represents a long‐term process. Recently, systems biology strategies such as metabolomics to investigate the multifactorial nature of TBI have facilitated attempts to find biomarkers and probe molecular pathways for its diagnosis and therapy.MethodsThis study included a group of 20 rats with controlled cortical impact and a group of 20 sham rats. We utilized mNSS tests to investigate neurological metabolic impairments on day 1 and day 3. Furthermore, we applied metabolomics and bioinformatics to determine the metabolic perturbation caused by TBI during the acute period in the hippocampus tissue of controlled cortical impact (CCI) rats. Notably, TBI–protein–metabolite subnetworks identified from a database were assessed for associations between metabolites and TBI by the dysregulation of related enzymes and transporters.ResultsOur results identified 7 and 8 biomarkers on day 1 and day 3, respectively. Additionally, related pathway disorders showed effects on arginine and proline metabolism as well as taurine and hypotaurine metabolism on day 3 in acute TBI. Furthermore, according to metabolite–protein database searches, 25 metabolite–protein pairs were established as causally associated with TBI. Further, bioinformation indicated that these TBI‐associated proteins mainly take part in 5′‐nucleotidase activity and carboxylic acid transmembrane transport. In addition, interweaved networks were constructed to show that the development of TBI might be affected by metabolite‐related proteins and their protein pathways.ConclusionThe overall results show that acute TBI is susceptible to metabolic disorders, and the joint metabolite–protein network analysis provides a favorable prediction of TBI pathogenesis mechanisms in the brain. The signatures in the hippocampus might be promising for the development of biomarkers and pathways relevant to acute TBI and could further guide testable predictions of the underlying mechanism of TBI.
Effect of Drought Stress on Certain Morphological and Physiological Characteristics of a Resistant and a Sensitive Canola Cultivar
Authors: Khodabin Ghorban , Tahmasebi‐Sarvestani Zeinolabedin , Rad Amir Hossein Shirani , Modarres‐Sanavy Seyed Ali Mohammad 
Published: January 2020

AbstractWater stress is one of the main abiotic factors that reduces plant growth, mainly due to high evaporative demand and low water availability. In order to evaluate the effects of drought stress on certain morphological and physiological characteristics of two canola cultivars, we conducted a factorial experiment based on a completely randomized design. The findings show that drought stress exacerbations result in the plant's response to stress due to increased canola resistance caused by changes in plant pigments, proline, catalase, ascorbate peroxidase, peroxidase, superoxide dismutase and malondialdehyde, glucose, galactose, rhamnose and xylose. These in turn ultimately influence the morphological characteristics of canola. Drought stress reduces the concentration of carotenoids, chlorophyll a, chlorophyll b, total chlorophylls; however, glucose, galactose, rhamnose, xylose, proline, catalase, ascorbate peroxidase, peroxidase, superoxide dismutase, malondialdehyde (in leaves and roots) and the chlorophyll a and b ratios were increased. Reduction of plant height, stem height, root length, fresh and dry weight of canola treated with 300 g/l PEG compared to non‐treatment were 0.264, 0.236, 0.394, 0.183 and 0.395, respectively. From the two canola cultivars, the morphological characteristics of the NIMA increased compared to the Ks7 cultivar. Interaction effects of cultivar and drought stress showed that NIMA cultivar without treatment had the highest number of morphological characteristics such as carotenoid concentration, chlorophyll a, chlorophyll b, total chlorophylls a and b, whereas the cultivar with 300 g/l PEG (drought stress) had the highest amount of proline, malondialdehyde, soluble sugars and enzymes in leaves and roots. Increasing activity of oxidative enzymes and soluble sugars in canola under drought stress could be a sign of their relative tolerance to drought stress.
Cytotoxic Activity of Cunila angustifolia Essential Oil
Authors: de Sousa Matheus H. O. , Morgan Jessica M. S. , Cesca Karina , Flach Adriana , de Moura Neusa F. 
Published: January 2020

AbstractThe Cunila angustifolia essential oil was obtained from fresh leaves by hydrodistillation and analyzed by GC‐FID and GC‐MS to determine its chemical composition. The essential oil presented pulegone (29.5 %) and isomenthol (27.0 %) as major components, and other compounds such as menthone (8.6 %), neomenthol (7.2 %), menthyl acetate (2.5 %) and caryophyllene oxide (2.0 %) were identified. The cytotoxic activity of the essential oil was evaluated by MTS assay, with the human cancer cell lines of the lung (A549), breast (MCF‐7) and skin melanoma (SK‐Mel‐28). The assay showed the highest selectivity, to MCF‐7 cell lines, with IC50 equal to 34.0 μg mL−1, low selectivity for SK‐Mel‐28 cell lines, with IC50 equal to 279.9 μg mL−1, and no mortality to A549 cell lines.
A modified predilation, sizing, and postdilation scoring system for patients undergoing metallic drug‐eluting stent implantations
Authors: Zhao Xueyan , Guan Changdong , Yuan Jinqing , Xie Lihua , Wang Huan , Hou Shuang , Zhang Min , Zhang Xinbo , Gao Runlin , Xu Bo 
Published: January 2020

AbstractObjectiveThis study sought to assess whether the predilation, scaffold/stent sizing, and postdilation (PSP) score for bioresorbable scaffold (BRS) implantation was associated with outcomes following metallic drug‐eluting stent (DES) implantation.BackgroundThe PSP score is associated with patients' prognoses after BRS implantation.MethodsThis study involved 2,348 patients who underwent biodegradable polymer DES implantations during the PANDA III trial. The optimal PSP technique was defined according to previous studies of BRS implantations. The main outcome was target lesion failure (TLF) that comprised cardiac death, target‐vessel myocardial infarction, or ischemia‐driven target lesion revascularization.ResultsTwenty‐five (1.1%) patients fulfilled all the PSP criteria. The BRS‐derived PSP score was of limited prognostic value for 2‐year TLF after metallic DES implantation; optimal sizing was a protective factor, but optimal predilation was a risk factor. We built a new PSP model for DESs by identifying the following risk factors: predilation performed with a residual stenosis ≥70% or a balloon‐to‐quantitative coronary angiography (QCA)‐determined reference vessel diameter (RVD) ratio >1:1, sizing performed with an RVD <2.25 mm or a stent diameter >0.25 mm wider than the QCA‐RVD, a postprocedural stenosis diameter ≥30%, age, and the baseline SYNergy between percutaneous coronary intervention with TAXus and cardiac surgery (SYNTAX) score. The new PSP scoring system predicted 2‐year TLF (area under the curve, 0.69; 95% confidence interval, 0.65–0.73); a cutoff value of 19.2 points identified high‐risk patients.ConclusionsThe new PSP scoring system, based on redefined PSP criteria, age, and the SYNTAX score, could help optimize metallic DES implantations.
Experimental, Simulation, and Computational Study of the Interaction of Reduced Forms of N‐Methyl‐4,4’‐Bipyridinium with CO2
Authors: Singh Poonam , Tarakeshwar Pilarisetty , Buttry Daniel A. 
Published: January 2020

AbstractN‐methyl‐4,4’‐bipyridinium (Mebipy+) can be reduced in two separate one‐electron steps in 1‐butyl‐1‐methylpyrrolidinium bis(trifluoromethylsulfonyl)imide (BMPTFSI). The first reduction product Mebipy, a radical species, is shown to have no significant interaction with dissolved CO2. In contrast, the second reduction product, Mebipy−, forms an adduct with CO2. This adduct has a relatively strong C−N bond from nucleophilic interaction of the non‐quaternized nitrogen of the anion with the electrophilic carbon of CO2. These interactions are characterized using density functional theory (DFT). During electrochemical reduction of Mebipy+ in the presence of dissolved CO2, this strong interaction of Mebipy− drives a disproportionation reaction in which two Mebipy radicals react to produce Mebipy+ and Mebipy−, which subsequently reacts with CO2 to form the nitrogen‐bound adduct, Mebipy‐CO2−, a type of carbamate. This electrochemical DISP mechanism is simulated, providing a good fit with experimental results. The overall stoichiometry for the electrochemical capture and release of CO2 in this system is that two electrons are required to bind one equivalent of CO2.
Excellent Rate and Low Temperature Performance of Lithium‐Ion Batteries based on Binder‐Free Li4Ti5O12 Electrode
Authors: Hu Bingqing , Zhou Xiaoshuang , Xu Jiang , Wang Xi , Yuan Ningyi , Ge Shanhai , Ding Jianning 
Published: January 2020

AbstractAchieving lithium‐ion batteries (LIBs) with ultrahigh rate at ambient‐temperature and excellent low temperature‐tolerant performances is still a tremendous challenge. In this paper, we design a binder‐free Li4Ti5O12 (LTO) electrode to achieve an excellent rate performance (∼75 % of its theoretical capacity at 200 C), in which, aligned CNT nanosheets were used to load LTO nanosheets decorated with silver nanocrystals. With combination of 1,3‐Dioxlane‐based electrolyte, there is nearly no initial voltage drop happen, and the capacity can be greater than 140 mAh g−1 (∼85 % of its specific capacity at room temperature) at −60 °C and 0.2 C. This study provides a practical guidance of the design of LIBs with outstanding rate performances and low temperature resistance.