bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemInform Abstract: Scalable Total Synthesis of rac‐Jungermannenones B and C.
Authors: Liu Weilong , Li Houhua , Cai Pei‐Jun , Wang Zhen , Yu Zhi‐Xiang , Lei Xiaoguang 
Published: June 2016

AbstractStarting from geraniol, the ent‐kaurene‐type diterpenoids jungermannenone B (I) and C (II) are synthesized as racemates in 10 and 9 steps, respectively.
ChemInform Abstract: Aminofluorination: Transition‐Metal‐Free N—F Bond Insertion into Diazocarbonyl Compounds.
Authors: Chen Gui , Song Jinshuai , Yu Yinghua , Luo Xuesong , Li Chunsen , Huang Xueliang 
Published: June 2016

AbstractUsing NFSI (II) as F and N source, geminal aminofluorination of aryl diazoesters (I) is achieved.
ChemInform Abstract: An Iron(III) Catalyst with Unusually Broad Substrate Scope in Regioselective Alkylation of Diols and Polyols.
Authors: Ren Bo , Ramstroem Olof , Zhang Qiang , Ge Jiantao , Dong Hai 
Published: June 2016

AbstractThe new selective monoalkylation reaction of diverse 1,2‐ and 1,3‐diol‐containing structures employs [Fe(dibm)3] (dibm = diisobutyrylmethane) as catalyst.
ChemInform Abstract: New Alkaloids from Hippeastrum papilio (Ravenna) Van Scheepen.
Authors: Guo Ying , de Andrade Jean P. , Pigni Natalia B. , Torras‐Claveria Laura , Tallini Luciana R. , de S. Borges Warley , Viladomat Francesc , Nair Jerald J. , Zuanazzi Jose A. S. , Bastida Jaume 
Published: June 2016

AbstractThree new alkaloids, hippapiline (I) with an unusual cis‐B/C‐ring fusion, papiline (II) and haemanthamine derivative (III) are isolated together with six known alkaloids.
ChemInform Abstract: Recent Advances in the Synthesis of Hierarchically Porous Silica Materials on the Basis of Porous Glasses
Authors: Inayat Alexandra , Reinhardt Bjoern , Herwig Jan , Kuester Christian , Uhlig Hans , Krenkel Sharon , Raedlein Edda , Enke Dirk 
Published: June 2016

AbstractReview: 53 refs.
JOINT INVERSION OF RAYLEIGH WAVE VERTICAL‐HORIZONTAL AMPLITUDE RATIOS AND DISPERSION BASED ON THE NEIGHBORHOOD ALGORITHM AND ITS APPLICATION
Authors: Yi YUAN , Hua‐Jian YAO , Yan QIN 
Published: June 2016

AbstractRayleigh wave ellipticity (or ZH ratio) is a function of frequency and is particularly sensitive to shallow crustal structure beneath the seismograph station. Since the depth sensitivity kernels of ZH ratios are different from those of dispersion data, the ZH ratio provides good complementary information for the dispersion‐based inversion method. Therefore, we can combine the ZH ratio and dispersion data of Rayleigh wave fundamental mode to better invert for the velocity structure under a specific seismograph station. In this paper, we propose a joint inversion method using the dispersion and ZH ratio data based on the Neighborhood Algorithm. We conduct synthetic tests based on a theoretical model and prove the robustness of the joint inversion method, which can better constrain the shallow crustal structure. Compared to traditional inversion methods that only use dispersion data, the joint inversion can provide a more accurate crustal Vs model as well as Vp/Vs ratios for the layered crust. Finally, we apply the joint inversion technique to real measurements and obtain a more accurate crust shear velocity and Vp/Vs model beneath the station at Kunming (KMI) in southwest China.
Discovery and SAR of Novel 2,3‐Dihydroimidazo[1,2‐c]quinazoline PI3K Inhibitors: Identification of Copanlisib (BAY 80‐6946)
Authors: Scott William J. , Hentemann Martin F. , Rowley R. Bruce , Bull Cathy O. , Jenkins Susan , Bullion Ann M. , Johnson Jeffrey , Redman Anikó , Robbins Arthur H. , Esler William , Fracasso R. Paul , Garrison Timothy , Hamilton Mark , Michels Martin , Wood Jill E. , Wilkie Dean P. , Xiao Hong , Levy Joan , Stasik Enrico , Liu Ningshu , Schaefer Martina , Brands Michael , Lefranc Julien 
Published: June 2016

AbstractThe phosphoinositide 3‐kinase (PI3K) pathway is aberrantly activated in many disease states, including tumor cells, either by growth factor receptor tyrosine kinases or by the genetic mutation and amplification of key pathway components. A variety of PI3K isoforms play differential roles in cancers. As such, the development of PI3K inhibitors from novel compound classes should lead to differential pharmacological and pharmacokinetic profiles and allow exploration in various indications, combinations, and dosing regimens. A screening effort aimed at the identification of PI3Kγ inhibitors for the treatment of inflammatory diseases led to the discovery of the novel 2,3‐dihydroimidazo[1,2‐c]quinazoline class of PI3K inhibitors. A subsequent lead optimization program targeting cancer therapy focused on inhibition of PI3Kα and PI3Kβ. Herein, initial structure–activity relationship findings for this class and the optimization that led to the identification of copanlisib (BAY 80‐6946) as a clinical candidate for the treatment of solid and hematological tumors are described.
Excited‐State Proton Transfer and Conformational Relaxation of 2‐(4′‐Pyridyl)benzimidazole in Nafion Films
Authors: Singhal Nancy , Mishra Anasuya , Datta Anindya 
Published: June 2016

AbstractThe effect of annealing on the acidity and water uptake of Nafion films has been studied by using the acidity sensing fluorophore 2‐(4′‐pyridyl)benzimidazole (4PBI). The difference in acidity and the microenvironment of the fluorophore in annealed and nonannealed films is brought out in this study. The annealed film is found to have less water uptake than nonannealed films. The amount of water uptake increases upon acid treatment of the films, as all the steady‐state and time‐resolved behaviour of the molecule in nonannealed films is restored. These observations are rationalised by the formation of anhydrides upon annealing and their hydrolysis to sulfonic acid groups upon acid treatment. Interestingly, the acidity of annealed films is found to be even less than that of Na+exchanged films, indicating that annealing removes more protons from the Nafion films than cation exchange can.
Intact Four‐atom Organic Tetracation Stabilized by Charge Localization in the Gas Phase
Authors: Yatsuhashi Tomoyuki , Toyota Kazuo , Mitsubayashi Naoya , Kozaki Masatoshi , Okada Keiji , Nakashima Nobuaki 
Published: June 2016

AbstractSeveral features distinguish intact multiply charged molecular cations (MMCs) from other species such as monocations and polycations: high potential energy, high electron affinity, a high density of electronic states with various spin multiplicities, and charge‐dependent reactions. However, repulsive Coulombic interactions make MMCs quite unstable, and hence small organic MMCs are currently not readily available. Herein, we report that the isolated four‐atom molecule diiodoacetylene survives after the removal of four electrons via tunneling. We show that the tetracation remains metastable towards dissociation because of the localization (91–95 %) of the positive charges on the terminal iodine atoms, ensuring minimum Coulomb repulsion between adjacent atoms as well as maximum charge‐induced attractive dipole interactions between iodine and carbon. Our approach making use of iodines as the positively charged sites enables small organic MMCs to remain intact.
Photoinduced Electron Transfer in a Zinc Phthalocyanine–Fullerene Conjugate Connected by a Long Flexible Spacer
Authors: Lederer Marcus , Ince Mine , Martinez‐Diaz M. Victoria , Torres Tomas , Guldi Dirk M. 
Published: June 2016

AbstractA hexadodecyl‐substituted zinc phthalocyanine covalently linked through a flexible spacer to a fullerene—ZnPc−C60—has been investigated regarding electron transfer from the photoexcited, electron‐donating ZnPc to the electron‐accepting C60. While ground‐state interactions between electron donor and acceptor within ZnPc−C60 could not be detected via steady‐state absorption spectroscopy, clear proof for excited‐state interactions came from steady‐state fluorescence spectroscopy. To this end, the fluorescence in ZnPc−C60 is strongly quenched with quantum yields in THF as low as 0.05. Insight into excited‐state electron‐transfer deactivation within ZnPc−C60 came from time‐resolved femtosecond transient absorption spectroscopy. For example, upon exclusive excitation of the phthalocyanine within the ZnPc−C60 conjugate, a set of transients evolve featuring, on the one hand, the signature of the one‐electron oxidized ZnPc radical cation and, on the other hand, of the one‐electron reduced C60 radical anion. The analysis of the corresponding dynamics in chlorobenzene resulted in lifetimes for charge‐separation and charge‐recombination of 7.4 ps and 2.2 ns, respectively.
Investigating past range dynamics for a weed of cultivation, Silene vulgaris
Authors: Sebasky Megan E. , Keller Stephen R. , Taylor Douglas R. 
Published: June 2016

AbstractSince the last glacial maximum (LGM), many plant and animal taxa have expanded their ranges by migration from glacial refugia. Weeds of cultivation may have followed this trend or spread globally following the expansion of agriculture or ruderal habitats associated with human‐mediated disturbance. We tested whether the range expansion of the weed Silene vulgaris across Europe fit the classical model of postglacial expansion from southern refugia, or followed known routes of the expansion of human agricultural practices. We used species distribution modeling to predict spatial patterns of postglacial expansion and contrasted these with the patterns of human agricultural expansion. A population genetic analysis using microsatellite loci was then used to test which scenario was better supported by spatial patterns of genetic diversity and structure. Genetic diversity was highest in southern Europe and declined with increasing latitude. Locations of ancestral demes from genetic cluster analysis were consistent with areas of predicted refugia. Species distribution models showed the most suitable habitat in the LGM on the southern coasts of Europe. These results support the typical postglacial northward colonization from southern refugia while refuting the east‐to‐west agricultural spread as the main mode of expansion for S. vulgaris. We know that S. vulgaris has recently colonized many regions (including North America and other continents) through human‐mediated dispersal, but there is no evidence for a direct link between the Neolithic expansion of agriculture and current patterns of genetic diversity of S. vulgaris in Europe. Therefore, the history of range expansion of S. vulgaris likely began with postglacial expansion after the LGM, followed by more recent global dispersal by humans.
Intermittent‐contact Scanning Electrochemical Microscopy (IC‐SECM) as a Quantitative Probe of Defects in Single Crystal Boron Doped Diamond Electrodes
Authors: Tomlinson Lucy I. , Patten Hollie V. , Green Ben L. , Iacobini James , Meadows Katherine E. , McKelvey Kim , Unwin Patrick R. , Newton Mark E. , Macpherson Julie V. 
Published: June 2016

AbstractWe demonstrate, for the first time, the use of electrochemical imaging to identify defect and defect free areas in single crystal boron doped diamond (BDD) electrodes. Specifically, we show that defects contain different boron dopant concentrations than the surrounding single crystal matrix and that these variations can be visualized using intermittent contact−scanning electrochemical microscopy (IC‐SECM). The measured IC‐SECM tip currents provide quantitative information on the rates of electron transfer across the single crystal BDD electrodes, which correlate with variations in boron doping levels. In some instances, IC‐SECM outperforms alternative methods such as Raman microscopy and cathodoluminescence imaging, due to its intrinsic surface‐sensitivity, expanding the application and impact of electrochemical microscopy for materials characterization. The results obtained, and procedure outlined, are particularly valuable for the assessment and screening of single crystal BDD electrodes.
Spectrally efficient TWR‐aided free‐space optical communication over turbulent channel with generalized pointing error
Authors: Sharma Nikhil , Bansal Ankur , Garg Parul 
Published: June 2016

AbstractIn this paper, the performance of two‐way relay assisted optical wireless communication is analysed. The optical wireless communication system performance is corrupted by atmospheric‐induced turbulence and the generalized pointing errors. A three node, dual hop, bi‐directional system employing decode‐and‐forward relaying phenomena are considered. The conventional one‐way relay assisted system is spectrally inefficient because of the half duplex losses incurred, whereas the proposed two‐way relay assisted system achieves spectral efficiency by managing bi‐directional communication in two time slots, thus maximizing the achievable rate of the network. The closed‐form expressions of probability density function for composite Gamma–Gamma turbulence impaired by generalized pointing errors are derived. Furthermore, we provide the closed‐form expression of cumulative distribution function of the equivalent end‐to‐end signal‐to‐noise ratio. In capitalizing on these derived statistics, we conduct outage and error rate analysis of the considered system. Copyright © 2016 John Wiley & Sons, Ltd.
Cardiovascular Risk and Serum Hyaluronic Acid: A Preliminary Study in a Healthy Population of Low/Intermediate Risk
Authors: Papanastasopoulou Chrysanthi , Papastamataki Maria , Karampatsis Petros , Anagnostopoulou Eleni , Papassotiriou Ioannis , Sitaras Nikolaos 
Published: June 2016

BackgroundHyaluronic acid (HA) has been found to be an important trigger of atherosclerosis. In this study, we investigate the possible association of serum HA with cardiovascular disease risk in a population of low/intermediate risk for cardiovascular events.MethodsWe enrolled 200 subjects with low/intermediate risk for developing cardiovascular disease. High specific C‐reactive protein (hsCRP) was used as an indicator of preclinical atherosclerosis. The Framingham score was used to calculate the cardiovascular risk.ResultsParticipants with dyslipidemia had significantly higher levels of serum HA than those without dyslipidemia (t‐test, P = 0.05), higher levels of hsCRP (Kruskal–Wallis test, P = 0.04), and higher cardiovascular risk according to the Framingham score (Kruskal–Wallis test, P = 0.05). Serum HA concentration correlated significantly with the Framingham score for risk for coronary heart disease over the next 10 years (Spearman r = 0.152, P = 0.02). Diabetic volunteers had significantly higher HA than those without diabetes (t‐test, P = 0.02). Participants with metabolic syndrome had higher serum HA levels and higher hsCRP (Kruskal–Wallis test, P = 0.01) compared to volunteers without metabolic syndrome (t‐test, P = 0.03).ConclusionsSerum HA should be explored as an early marker of atheromatosis and cardiovascular risk.
Partial Characterizations of 1‐Perfectly Orientable Graphs
Authors: Hartinger Tatiana Romina , Milanič Martin 
Published: June 2016

AbstractWe study the class of 1‐perfectly orientable graphs, that is, graphs having an orientation in which every out‐neighborhood induces a tournament. 1‐perfectly orientable graphs form a common generalization of chordal graphs and circular arc graphs. Even though they can be recognized in polynomial time, little is known about their structure. In this article, we develop several results on 1‐perfectly orientable graphs. In particular, we (i) give a characterization of 1‐perfectly orientable graphs in terms of edge clique covers, (ii) identify several graph transformations preserving the class of 1‐perfectly orientable graphs, (iii) exhibit an infinite family of minimal forbidden induced minors for the class of 1‐perfectly orientable graphs, and (iv) characterize the class of 1‐perfectly orientable graphs within the classes of cographs and of cobipartite graphs. The class of 1‐perfectly orientable cobipartite graphs coincides with the class of cobipartite circular arc graphs.
Insertional achilles tendinopathy associated with altered transverse compressive and axial tensile strain during ankle dorsiflexion
Authors: Chimenti Ruth L. , Bucklin Mary , Kelly Meghan , Ketz John , Flemister Adolph Samuel , Richards Michael S. , Buckley Mark R. 
Published: June 2016

ABSTRACTThe purposes of this case‐control study (N = 20) were to examine the effects of insertional Achilles tendinopathy (IAT) and tendon region on tendon strain in patients with IAT compared to a control group without tendinopathy. An ultrasound transducer was positioned over the Achilles tendon insertion during dorsiflexion tasks, which included standing and partial squat. A non‐rigid image registration‐based algorithm was used to estimate transverse compressive and axial tensile strains of the tendon from radiofrequency ultrasound images, which was segmented into two regions (superficial tendon and deep). For transverse compressive strain, two‐way mixed effects ANOVAs demonstrated that there were interaction effects between group and tendon region for both dorsiflexion tasks (Heel lowering, p = 0.004; Partial squat, p = 0.008). For axial tensile strain, the IAT group demonstrated a main effect of lower tensile strain than the control group (Standing, p = 0.001; Partial squat, p = 0.033). There was also a main effect of greater tensile strain in the superficial region of the tendon compared to the deep during standing (p = 0.002), but not during partial squat (p = 0.603). Reduced transverse compressive and axial tensile strains in the IAT group indicate altered mechanical properties specific to the region of IAT pathology. Additionally, patterns of compressive strain are consistent with the theory of calcaneal impingement contributing to IAT pathology. © 2016 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 35:910–915, 2017.
Controlled and Tunable Biomimetic Apatite Mineralization of Synthetic Hydrogels
Authors: Harding Jacqueline L. , Krebs Melissa D. 
Published: June 2016

There has been much work examining bioinspired mineralization of polymeric hydrogels with calcium phosphates, yet a systematic method for the predictable and tunable synthesis of biomimetic apatites is yet to be developed. Here, a method for the selective mineralization of substituted apatite composite hydrogels where the incorporated mineral phase is formed as a result of a chemical reaction within the hydrogel matrix is presented. Mineralized hydrogels are prepared by precipitating the apatite precursor phase dicalcium phosphate dihydrate (DCPD) in a poly(vinyl alcohol) (PVA) solution, which is then crosslinked into a composite hydrogel by cyclic freeze/thawing. The encapsulated DCPD is hydrolyzed to apatite by immersion in buffers at 37 °C. Tuning the pH (7.4, 9) and ionic composition (CO3
2−, F−) of the buffer influence the morphology and chemical composition of the apatite product. The incorporated calcium phosphate polymorph is monitored by X‐ray diffraction, attenuated total reflectance‐fourier transform infrared spectroscopy (ATR‐FTIR), and scanning electron microscope‐energy dispersive X‐ray. The apatite–PVA hydrogels promote cellular adhesion and viability. The method developed here demonstrates diffusion‐mediated transformation of a calcium phosphate precursor phase within a hydrogel matrix to various substituted apatites in a selective and predictable manner.image
pH, Temperature, and Magnetic Triple‐Responsive Polymer Porous Microspheres for Tunable Adsorption
Authors: Wang Jiao , Zhang Weihong , Qian Yongchao , Deng Baixue , Tian Wei 
Published: June 2016

Pollution control has become increasingly important in recent years. Heavy metal ions, proteins, and dyes are frequently found in wastewater because of their extensive industrial applications. In this study, pH, temperature, and magnetic triple‐responsive poly(N‐isopropylacrylamide‐co‐methacrylic acid) porous microspheres doped with magnetite nanoparticles as a new type of smart adsorbents are used to remove the aforementioned pollutants. The pH‐ and temperature‐responsiveness of these microspheres realizes tunable adsorption toward Cu(II). Simultaneously, the microspheres exhibit good adsorption capability to lysozyme and basic fuchsine. Microsphere‐adsorbing pollutants are easlily separated from wastewater by applying an external magnetic field to reuse the microspheres.
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Amphiphilic Copolymers of Polyfluorene Methacrylates Exhibiting Tunable Emissions for Ink‐Jet Printing
Authors: Deng Chao , Ling Jun 
Published: June 2016

Functionalized polyfluorene receives more and more attention due to its wide applications. Here, the syntheses of three novel polyfluorene‐based methacrylate macromonomers exhibiting a vast flexibility for further applications are reported. Their emissions strongly depend on the end groups and thus the macromonomers provide blue, green, and red emissions simultaneously with the same excitation light of 365 nm. Their well‐defined copolymers with 2‐(dimethylamino) ethyl methacrylate via reversible addition‐fragmentation chain transfer polymerization are investigated in detail. These copolymers exhibit high quantum yields in solid film (up to 0.8), and self‐assemble into photoluminescent nanoparticles in aqueous solutions with pure blue, green, and red emissions. By simply mixing them, perfect white light emission with high quality is obtained. These aqueous nanoparticles solutions are ready for ink‐jet printing to produce exquisite bright and colorful fluorescent pictures.
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Pharmacokinetics of blackberry anthocyanins consumed with or without ethanol: A randomized and crossover trial
Authors: Marques Cláudia , Fernandes Iva , Norberto Sónia , Sá Carla , Teixeira Diana , de Freitas Victor , Mateus Nuno , Calhau Conceição , Faria Ana 
Published: June 2016

ScopeThis study was designed to evaluate the influence of ethanol on the bioavailability of blackberry anthocyanins.Methods and resultsA total of 18 participants were recruited to consume 250 mL of a blackberry puree (650 mg of anthocyanins) without (BBP) or with 12% ethanol (BBP 12%). Venous blood was collected from participants at baseline and at 15, 30, 60, and 120 min after puree ingestion. Urine samples were collected at baseline and at 120 min. Plasma and urine concentration of anthocyanins and anthocyanin conjugates were quantified by HPLC‐DAD. Methyl‐cyanidin‐glucuronide (Me‐Cy‐Glucr) and 3′‐methyl‐cyanidin‐3‐glucoside (3′‐Me‐Cy3glc) were the main anthocyanin conjugates detected in all plasma and urine samples. Urinary concentration of these anthocyanin conjugates were positively correlated with their plasma concentration. Ethanol increased plasma Cmax of Me‐Cy‐Glucr and 3′‐Me‐Cy3glc. Participants were then stratified according to their body mass index (BMI) and body fat mass. After BBP consumption, plasma Cmax of Me‐Cy‐Glucr and 3′‐Me‐Cy3glc tended to be decreased in overweight/obese participants, in comparison to normal weight participants. The increase on plasma Cmax of Me‐Cy‐Glucr and 3′‐Me‐Cy3glc induced by ethanol was more pronounced in the group of overweight/obese participants.ConclusionsEthanol seems to enhance Cy3glc metabolism that appears to be compromised in overweight and obese individuals.
Talik Formation at a Snow Fence in Continuous Permafrost, Western Arctic Canada
Authors: O'Neill H. B. , Burn C. R. 
Published: June 2016

AbstractThe long‐term ground thermal effects of a snow fence were examined in continuous permafrost on Peel Plateau, Northwest Territories. As the fence was erected in the early 1980s, present‐day ground thermal conditions include the response to over 30 years of snow pack modification. Snow cover, ground temperatures, late‐summer thaw depth and moisture content are higher at the fence than in ground nearby. The terrain surface around the fence has subsided about 0.5 m due to the disturbance. Field measurements indicate that a talik has developed below the fence. Numerical simulation of the ground thermal regime beneath the snow drift suggests that the talik began to form 25 years after the fence was constructed, and that thaw depth in late summer is now about 3 m. Copyright © 2016 John Wiley & Sons, Ltd.