bluuebunny/crossref_metadata_2025 huggingface dataset:
Surgical management of hilar cholangiocarcinoma at Memorial Sloan Kettering Cancer Center
Authors: Lidsky Michael E. , Jarnagin William R.
Published: June 2018

Hilar cholangiocarcinoma, which represents approximately 60% of biliary tract malignancies, is increasing in incidence and presents an ongoing challenge for patients and hepatobiliary surgeons. Although the majority of patients present with advanced disease, the remaining minority of patients are best treated with surgical resection or transplant. Transplant is typically reserved for locally unresectable tumors often in the setting of underlying hepatic dysfunction and will not be discussed herein. This review, therefore, focuses on oncological resection and the strategies implemented for the treatment of hilar cholangiocarcinoma at a quaternary referral center, including preoperative considerations such as patient selection and optimization of the future liver remnant, nuances to the operative approach for these tumors such as resection under low central venous pressure and management of the bile duct, as well as postoperative management.
Regiospecific N‐Arylation of Aliphatic Amines under Mild and Metal‐Free Reaction Conditions
Authors: Purkait Nibadita , Kervefors Gabriella , Linde Erika , Olofsson Berit
Published: June 2018

A transition metal‐free N‐arylation of primary and secondary amines with diaryliodonium salts is presented. Both acyclic and cyclic amines are well tolerated, providing a large set of N‐alkyl anilines. The methodology is unprecedented among metal‐free methods in terms of amine scope, the ability to transfer both electron‐withdrawing and electron‐donating aryl groups, and efficient use of resources, as excess substrate or reagents are not required.
Two zinc (II) coordination polymers based on aliphatic ether Schiff base: Synthesis, crystal structure, antioxidation and fluorescence
Authors: Han Xintong , Shi Xinkui , Huang Guozhen , Li Chuang , Mao Shanshan , Shen Kesheng , Wu Huilu , Tang Xia
Published: June 2018

The synthesis of two 1D coordination polymers [Zn2L12]n 1 and [Zn2L22]n 2, based on the H2L1 (bis (salicylidene)‐3‐oxapentane‐1,5‐diamine) and the H2L2 (bis (5‐methylsalicylaldehyde)‐3‐oxapentane‐1,5‐diamine) ligands, have been described and characterized by IR, elemental analysis and X‐ray single crystal analyses. In coordination polymer 1, each Zn2+ ion is five‐coordinated by three oxygen atoms and two nitrogen atoms from deprotonated ligand forming a square pyramidal configuration. It is worth noting that phenolic oxygens of the deprotonated H2L1 adapt monodentate and monoatomic bridging coordinated modes resulting in one‐dimensional linear chain structure in which macro rings alternately connect small rings. The coordination polymer 2 is a four‐coordinated one‐dimensional zigzag chain in which geometric structure around the Zn (II) atom can be described as distorted tetrahedron. The antioxidant activity of the coordination polymers 1–2 and the ligands were determined by superoxide and hydroxyl radical scavenging method in vitro. The results demonstrated that the coordination polymers exhibit more effective antioxidant activity than the ligands. Moreover, compared with emissive bands of the free ligands in the solid state and DMF solvent, the photoluminescent transition of the Zn (II) coordination polymer 1–2 may be attributed to ligand‐to‐ligand charge‐transfer regulated by Zn (II) ion.
Neutral and cationic half‐sandwich arene d6 metal complexes containing pyridyl and pyrimidyl thiourea ligands with interesting bonding modes: Synthesis, structural and anti‐cancer studies
Authors: Adhikari Sanjay , Hussain Omar , Phillips Roger M. , Kaminsky Werner , Kollipara Mohan Rao
Published: June 2018

The reaction of [(p‐cymene)RuCl2]2 and [Cp*MCl2]2 (M = Rh/Ir) with benzoyl (2‐pyrimidyl) thiourea (L1) and benzoyl (4‐picolyl) thiourea (L2) led to the formation of cationic complexes bearing formula [(arene) M (L1)к2(N,S)Cl]+ and [(arene) M (L2)к2(N,S)Cl]+ [(arene) = p‐cymene, M = Ru, (1, 4); Cp*, M = Rh (2, 5) and Ir (3, 6)]. Precursor compounds reacted with benzoyl (6‐picolyl) thiourea (L3) affording neutral complexes having formula [(arene) M (L3)к1(S)Cl2] [arene = p‐cymene, M = Ru, (7); Cp*, M = Rh (8), Ir (9)]. X‐ray studies revealed that the methyl substituent attached to the pyridine ring in ligands L2 and L3 affects its coordination mode. When methyl group is at the para position of the pyridine ring (L2), the ligand coordinated metal in a bidentate chelating N, S‐ mode whereas methyl group at ortho position (L3), it coordinated in a monodentate mode. Further the anti‐cancer studies of the thiourea derivatives and its complexes carried out against HCT‐116, HT‐29 (human colorectal cancer), Mia‐PaCa‐2 (human pancreatic cancer) and ARPE‐19 (non‐cancer retinal epithelium) cell lines showed that the thiourea ligands are inactive but upon complexation, the metal compounds displayed potent and selective activity against cancer cells in vitro. Iridium complexes were found to be more potent as compared to ruthenium and rhodium complexes.
Extraction of Surface Wax from Whole Grain Sorghum
Authors: Hums Megan E. , Moreau Robert A. , Powell Michael J. , Hoyt Jonathan L.
Published: June 2018

Sorghum has potential as a domestic source of wax for applications in the food and nonfood industries. The waxes extracted from sorghum have similar physical properties to those of Carnauba wax, a common imported commercial wax. This work focused on the extraction, fractionation, and characterization of waxes from sorghum kernels. Extraction was performed by varying the extraction conditions including temperature and solvents (hexane, ethanol, and methanol). A fractionation technique was developed to separate and quantify waxes from nonwaxes. The fractions were then characterized using a reverse‐phase high‐performance liquid chromatography method developed in our laboratory that utilizes an evaporative light‐scattering detector for quantification. The results showed that the average amount of wax extracted from the surface of intact sorghum kernels was about 0.3 wt% using hexane at temperatures between 25 and 120°C and 1000 psi. The yield of wax via hexane extraction increased with temperature and ranged from about 0.06 to 0.39 wt%. Extraction with alcohols resulted in higher yields of extracts, but after fractionation to remove nonwax components, the yield of waxes was reduced by 31% for ethanol and 47% for methanol compared to hexane.
LiDAR from drones employed for mapping archaeology – Potential, benefits and challenges
Authors: Risbøl Ole , Gustavsen Lars
Published: June 2018

Although the use of both drones and LiDAR (light detection and ranging) has become common in archaeology in recent years, LiDAR scanning from drones is still in its infancy. The technological development related to drones as well as laser scanner instruments has gradually reached the point where these can be integrated. In this paper we present the results from a test where the applicability of LiDAR used from a drone was studied. The study had two objectives – both based on comparative studies: (i) whether LiDAR from drones represents an improvement in terms of detection success; and (ii) whether LiDAR from drones can increase the quality of the documentation of archaeological features and their physical properties based on remote sensing. A modest improvement of detection success was found, but was not as convincing as one would perhaps expect given the relatively large increase in terms of ground points. This has led us to the conclusion that very dense vegetation obstructs laser beams from reaching all the way to the bare earth. As regards accuracy in documenting archaeological features, the study showed more significant improvements. The last part of the paper is dedicated to a discussion of the pros and cons of using LiDAR from drones compared to conventional airborne laser scanning from aeroplanes or helicopters. The main advantages concern flexibility, low flight altitude and small laser footprint as well as the advantages of a far‐reaching field of view. The disadvantages are related to price, battery capacity, size of area and especially the requirement of line of sight between the drone operator and the drone, a fact that restricts the efficiency in terms of mapping large areas. Nevertheless, the final conclusion is that LiDAR from drones has the potential to make a substantial improvement to archaeological remote sensing.
Testing pseudo‐complex general relativity with gravitational waves
Authors: Nielsen A. B. , Birnholz O.
Published: June 2018

We demonstrate how the model of pseudo‐complex general relativity can be tested using gravitational wave signals from coalescing compact objects. The model, which agrees with Einstein gravity in the weak‐field limit, diverges dramatically in the near‐horizon regime, with certain parameter ranges excluding the existence of black holes. We show that simple limits can be placed on the model in both the inspiral and ringdown phase of coalescing compact objects. We discuss further how these bounds relate to current observational limits. In particular, for minimal scenarios previously considered in the literature, gravitational wave observations are able to constrain pseudo‐complex general relativity parameters to values that require the existence of black hole horizons.
On the extent of the moat flow in axisymmetric sunspots
Authors: Verma M. , Kummerow P. , Denker C.
Published: June 2018

Unipolar, axisymmetric sunspots are figuratively called “theoretician's sunspots” because their simplicity supposedly makes them more suitable for theoretical descriptions or numerical models. On November 18, 2013, a very large specimen (active region NOAA 11899) crossed the central meridian of the sun. The moat flow associated with this very large spot is quantitatively compared to that of a medium and a small sunspot to determine the extent of the moat flow in different environments. We employ continuum images and magnetograms of the Helioseismic and Magnetic Imager (HMI) as well as extreme ultraviolet (EUV) images at λ160 nm of the Atmospheric Imaging Assembly (AIA), both on board the Solar Dynamics Observatory (SDO), to measure horizontal proper motions with Local Correlation Tracking (LCT) and flux transport velocities with the Differential Affine Velocity Estimator (DAVE). We compute time‐averaged flow maps (±6 hr around meridian passage) and radial averages of photometric, magnetic, and flow properties. Flow fields of a small‐ and a medium‐sized axisymmetric sunspot provide the context for interpreting the results. All sunspots show outward moat flow and the advection of moving magnetic features (MMFs). However, the extent of the moat flow varies from spot to spot, and a correlation of flow properties with size is tenuous, if at all present. The moat flow is asymmetric and predominantly in the east–west direction, whereby deviations are related to the tilt angle of the sunspot group as well as to the topology and activity level of the trailing plage.
Preparing for Wildfires and Extreme Weather: Plant Design and Operation Recommendations
Authors: Becker William C. , Hohner Amanda , Rosario‐Ortiz Fernando , DeWolfe James
Published: June 2018

Utilities can recover from wildfires and extreme weather events with resiliency plans and operation designs that address subsequent water quality challenges.
Positive Trends Emerge in Reducing Exposure to 1,4‐Dioxane
Authors: Eckhardt Alexander
Published: June 2018

Although there are challenges in monitoring and treating 1,4‐dioxane, there is also a significant decrease in the use of this contaminant, which points to reduced concentrations in both air and water.
Simultaneous determination of eight components in Angelica sinensis based on UHPLC‐ESI‐MS/MS method for quality evaluation
Authors: Gui Qiaodi , Zheng Jie
Published: June 2018

A method employing ultra‐high performance liquid chromatography–tandem mass spectrometry (UHPLC–MS/MS) for determination of eight components including ferulic acid, senkyunolide A, butylphthalide, ligustilide, butylidenephalide, senkyunolide I, senkyunolide H and levistolide A in Angelica sinensis was established. The separation was carried out using a Waters ACQUITY UHPLC BEH C18 column with gradient elution with 0.1% formic acid aqueous and acetonitrile at a flow rate of 0.4 mL/min. Good linearity was attained with R2 of 0.9983–0.9998 in wide concentration ranges. The method had limit of detection (LOD) and quantitation (LOQ) in the range of 0.42–6.98 ng/mL and 1.39–23.28 ng/mL, respectively. Intra‐ and inter‐day precisions varied with relative standard deviations (RSDs) from 0.33% to 0.88% and 0.37% to 1.04%, respectively. Moreover, the average recoveries were in a satisfactory range of 92.7%–102.1% with RSDs of less than 3.60%. Finally, the method was successfully applied to analyze 19 batches of A. sinensis samples grown in Min County, Gansu province, China, as well as that collected in other regions. The findings indicated that the established method is reliable and may thus be applied as a powerful tool for qualitative and quantitative analysis of components in A. sinensis, which has its implications in quality control of A. sinensis.
Chemical Composition, Cytotoxic and Antibacterial Activities of Essential Oils of Cultivated Clones of Juniperus communis and Wild Juniperus Species
Authors: Maurya Antim K. , Devi Renuka , Kumar Ashish , Koundal Rajkesh , Thakur Soni , Sharma Anamika , Kumar Dharmesh , Kumar Rakshak , Padwad Yogendra S. , Chand Gopi , Singh Bikram , Agnihotri Vijai K.
Published: June 2018

Needles of seven cultivated clones (C1 – C7) of Juniperus communis at lower altitude and three wild Juniperus species (J. communis, J. recurva and J. indica) at higher altitudes were investigated comparatively for their essential oils (EOs) yields, chemical composition, cytotoxic and antibacterial activities. The EOs yields varied from 0.26 to 0.56% (v/w) among samples. Sixty‐one volatile components were identified by gas chromatography‐mass spectrometry (GC/MS) and quantified using gas chromatography GC (FID) representing 82.5 – 95.7% of the total oil. Monoterpene hydrocarbons (49.1 – 82.8%) dominated in all samples (α‐pinene, limonene and sabinene as major components). Principal component analysis (PCA) of GC data revealed that wild and cultivated Juniperus species are highly distinct due to variation in chemical composition. J. communis (wild species) displayed cytotoxicity against SiHa (human cervical cancer), A549 (human lung carcinoma) and A431 (human skin carcinoma) cells (66.4 ± 2.2%, 74.4 ± 1.4% and 57.4 ± 4.0%), respectively, at 200 μg/ml. EOs exhibited better antibacterial activity against Gram‐positive bacteria than against Gram‐negative bacteria with the highest zone of inhibition against Staphylococcus aureus MTCC 96 (19.2 ± 0.7) by clone‐7. As per the conclusion of the findings, EOs of clone‐2, clone‐5 and clone‐7 can be suggested to the growers of lower altitude, as there is more possibility of uses of these EOs in food and medicinal preparations.
β‐elemene increases the sensitivity of gastric cancer cells to TRAIL by promoting the formation of DISC in lipid rafts
Authors: Xu Ling , Guo Tianshu , Qu Xiujuan , Hu Xuejun , Zhang Ye , Che Xiaofang , Song Huicong , Gong Jing , Ma Rui , Li Ce , Fan Yibo , Ma Yanju , Hou Kezuo , Wu Peihong , Dong Hang , Liu Yunpeng
Published: June 2018

β‐Elemene, an anti‐cancer drug extracted from traditional Chinese medicinal herb, showed anti‐tumor effects on gastric cancer cells. Our previous studies reported gastric cancer cells are insensitive to TRAIL. However, whether β‐elemene could enhance anti‐cancer effects of TRAIL on gastric cancer cells is unknown. In our present study, β‐elemene prevented gastric cancer cell viability in dose‐dependent manner, and when combined with TRAIL, obviously inhibited proliferation and promoted apoptosis in gastric cancer cells. Compared to β‐elemene or TRAIL alone, treatment with β‐elemene and TRAIL obviously promoted DR5 clustering as well as translocation of Caspase‐8, DR5 and FADD into lipid rafts. This led to cleavage of Caspase‐8 and the formation of death‐inducing signaling complex (DISC) in lipid rafts. The cholesterol‐sequestering agent nystatin partially reversed DR5 clustering and DISC formation, preventing apoptosis triggered by the combination of β‐elemene and TRAIL. Our results suggest that β‐elemene increases the sensitivity of gastric cancer cells to TRAIL partially by promoting the formation of DISC in lipid rafts.
Ordered Array Electrodes Fabricated by a Mask‐Assisted Electron‐Beam Method as Platforms for Studying Kinetic and Mass‐Transport Phenomena on Electrocatalysts
Authors: Brites Helú Mariela A. , Fernandez Wanda V. , Fernández José L.
Published: June 2018

This work describes a method for fabrication of extensive ordered arrays of microelectrodes with varied geometries, surrounded either by an insulating surface of poly(methyl methacrylate) (PMMA) or by a conductive material such as gold or glassy carbon (GC). The method is based on procedures from electron beam lithography (EBL) but, in contrast to classic EBL, it can be applied by using widely available conventional SEM instruments that are not specifically tailored for EBL operation. The electron gun of the SEM is used to irradiate and modify a PMMA film that is covered by a micro‐ or nano‐structured mask (i.e., a TEM grid), which is further selectively revealed. Each array can be evaluated in two configurations, when it is surrounded by the PMMA film, and when it is in contact with the exposed support after PMMA removal. The first configuration is useful to evaluate the electrochemical behavior of pure microelectrode arrays for correlating it with model equations. The second configuration is particularly useful when the substrate material by itself is inactive for the studied reaction. In the latter case, any detected differences between the electrochemical behavior of the PMMA‐coated array and that of the bi‐component array should come from the contributions of the microelectrode boundaries. These arrays were employed for studying the hydrogen oxidation reaction in alkaline medium on Au/Rh and on GC/Rh in order to detect possible kinetic interactions of both components at the heterojunctions.
Carbon Nanolayer‐Coated Na3V2(PO4)3 Nanocrystals Embedded in Conductive Carbon Matrix as High‐Performance Cathode for Sodium‐Ion Batteries
Authors: Wan Xin , Liu Kelu , Lei Ping , Zheng Wenting , Xiang Xingde , Sun Molong
Published: June 2018

Na3V2(PO4)3 is a promising cathode material for sodium‐ion batteries. However, the design of appropriate carbon coatings is necessary for improving the Na‐storage performance of this material to overcome the intrinsically low electron conductivity and therefore sluggish reaction kinetics. Herein, carbon nanolayer‐coated Na3V2(PO4)3 nanocrystals embedded in a conductive carbon matrix (NVP/C) are fabricated by using a facile in‐situ synthesis method with controlled utilization of graphene‐oxide nanosheets. Structural and electrochemical properties of the as‐synthesized NVP/C material are analyzed by combining X‐ray diffraction, Fourier‐transform infrared spectroscopy, scanning electron microscope, transition electron microscope, and electrochemical measurements. The optimized NVP/C material exhibits a unique nanostructure consisting of Na3V2(PO4)3 nanocrystals with an average size of ∼60 nm and carbon nanolayers with uniform thickness of ∼5 nm. As electrode, the material delivers a high reversible capacity of 114.8 mAh g−1 at 0.2 C, superior high‐rate capability with a discharge capacity of 101.8 mAh g−1 at 10 C, and excellent cycling performance with capacity retention of 91 % after 1000 cycles. The finding indicates that constructing carbon‐coating nanolayers and a conductive carbon matrix is an important strategy to achieve high‐quality NVP/C material for advanced sodium‐ion batteries.
Defective Anatase TiO2−x Mesocrystal Growth In Situ on g‐C3N4 Nanosheets: Construction of 3D/2D Z‐Scheme Heterostructures for Highly Efficient Visible‐Light Photocatalysis
Authors: Tan Biying , Ye Xiaozhou , Li Yongjun , Ma Xiaoqi , Wang Yun , Ye Jianfeng
Published: June 2018

Environmental remediation by employing visible‐light‐active semiconductor heterostructures provides effective solutions for handling emerging contaminants by a much greener and lower cost approach compared with other methods. This report demonstrates that the in situ growth of nanosized single‐crystal‐like defective anatase TiO2−x mesocrystals (DTMCs) on g‐C3N4 nanosheets (NSs) can produce a 3D/2D DTMC/g‐C3N4 NS heterostructure with the two components held together by chemical bonds to form tight interfaces. This nanostructured heterostructure displayed remarkably improved photocatalytic activity toward the removal of the model pollutants Methyl Orange (MO) and CrVI under visible‐light irradiation in comparison with the pristine DTMC and g‐C3N4 NS components, which suggests that both the oxidation and reduction abilities of the DTMC/g‐C3N4 NSs were simultaneously enhanced after fabrication. On the basis of the results of a systematic characterization, a reasonable mechanism for the photocatalytic activity based on a direct Z‐scheme heterojunction is proposed and further verified by the measurement of .OH. This novel Z‐scheme heterojunction endows the heterostructure with improved photogenerated electron/hole pair separation and a strong redox ability for the efficient degradation of wastewater pollutants. This work will be useful for the design and fabrication of direct Z‐scheme heterostructured photocatalysts with novel architectures for applications in energy conversion and environmental remediation.
Hierarchical Cobalt‐Based Metal–Organic Framework for High‐Performance Lithium‐Ion Batteries
Authors: Chen Lin , Yang Wenjuan , Wang Jianbiao , Chen Congrong , Wei Mingdeng
Published: June 2018

In the present work, a simple solvothermal method is developed for the synthesis of hierarchical Co‐based metal–organic framework (H‐Co‐MOF) microflowers. These microflowers are composed of nanosheets, consisting of small nanoflakes. Upon application as an electrode material in Li‐ion batteries, H‐Co‐MOF shows ultrahigh specific capacity and long cycling performance. For instance, a remarkably superior capacity of 1345 mA h g−1 can be achieved after 100 cycles at a current density of 0.1 A g−1. Even at 2 A g−1, a large capacity of 828 mA h g−1 is maintained after 700 cycles. This excellent electrochemical performance might be ascribed to the intrinsic properties and unique hierarchical structure of the Co‐based MOF.
Betrügerische Pfeifen
Authors: Tetsch Larissa
Published: June 2018

Blütenpflanzen und ihre Bestäuber sind ein optimal aufeinander abgestimmtes Team, in dem beide voneinander profitieren. Betrüger wie die Pfeifenblumen stellen hier eine Ausnahme dar. Sie nutzen die Bestäuberleistung, bieten aber keinen Nektar als Belohnung an. Stattdessen locken sie die Insekten mit raffinierten – und manchmal recht makabren – chemischen Tricks zur Blüte.
Differential privacy–based location privacy enhancing in edge computing
Authors: Miao Qiucheng , Jing Weipeng , Song Houbing
Published: June 2018

In the era of edge computing, real‐time data preprocessing on the edge node has the potential to improve computational efficiency and data accuracy. However, a significant challenge is private data disclosure, particularly in the case of location‐based services. To address this challenge, in this paper, by leveraging differential privacy, we propose a privacy‐aware framework for mobile edge computing called MEPA to protect the location privacy in which the edge node is regarded as an anonymous central server. The proposed framework can provide computing services without deploying special infrastructure. To be specific, in order to solve the problem of constrained computing resources in the edge nodes, the algorithm of Quadtree Differential Privacy based on Hilbert curve division (QTDP‐H) two‐dimensional spatial data query transmission is proposed. First, a noise quadtree is established and the privacy budget is divided according to the tree level. Then, the constructed quadtree is represented by quanternary, so that the partition based on Hilbert curve can be established and the two‐dimensional data in the area can be converted into one‐dimensional, which can greatly improve the retrieval efficiency. The effectiveness of the proposed algorithm in terms of time complexity and retrieval accuracy has been verified by extensive experimental results. Compared with traditional methods of (D,ε) − LP, the average runtime can be reduced by 15%‐20%, and the average relative error is reduced by 20%.
Dissecting sequential programs for parallelization—An approach based on computational units
Authors: Atre Rohit , Ul‐Huda Zia , Wolf Felix , Jannesari Ali
Published: June 2018

When trying to parallelize a sequential program, programmers routinely struggle during the first step: finding out which code sections can be made to run in parallel. While identifying such code sections, most of the current parallelism discovery techniques focus on specific language constructs. In contrast, we propose to concentrate on the computations performed by a program. In our approach, a program is treated as a collection of computations communicating with one another using a number of variables. Each computation is represented as a computational unit (CU). A CU contains the inputs and outputs of a computation, and the three phases of a computation are read, compute, and write. Based on the notion of CU, which ensures that the read phase executes before the write phase, we present a unified framework to identify both loop parallelism and task parallelism in sequential programs. We conducted a range of experiments on 23 applications from four different benchmark suites. Our approach accurately identified the parallelization opportunities in benchmark applications based on comparison with their parallel versions. We have also parallelized the opportunities identified by our approach that were not implemented in the parallel versions of the benchmarks and reported the speedup.
An efficient SIMD compression format for sparse matrix‐vector multiplication
Authors: Chen Xinhai , Xie Peizhen , Chi Lihua , Liu Jie , Gong Chunye
Published: June 2018

Sparse matrix‐vector multiplication (SpMV) is an essential kernel in sparse linear algebra and has been studied extensively on all modern processor and accelerator architectures. Compressed Sparse Row (CSR) is a frequently used format for sparse matrices storage. However, CSR‐based SpMV has poor performance on processors with vector units. In order to take full advantage of SIMD acceleration technology in SpMV, we proposed a new matrix storage format called CSR‐SIMD. The new storage format compresses the non‐zero elements into many variable‐length data fragments with consecutive memory access addresses. Thus, the data locality of sparse matrix A and dense vector x expands and the floating‐point operations for each fragment can be completely calculated by vectorized implementation on wide SIMD units. Our experimental results indicate that CSR‐SIMD has better storage efficiency and low‐overhead for format conversion. Besides, the new format achieves high scalability on wide SIMD units. In comparison with the CSR‐based and BCSR‐based SpMV, CSR‐SIMD obtains better performance on FT1500A, Intel Xeon, and Intel Xeon Phi.
Proton Spin‐Lattice Relaxation in Organic Molecular Solids: Polymorphism and the Dependence on Sample Preparation
Authors: Beckmann Peter A. , Ford Jamie , Malachowski William P. , McGhie Andrew R. , Moore Curtis E. , Rheingold Arnold L. , Sloan Gilbert J. , Szewczyk Steven T.
Published: June 2018

We report solid‐state nuclear magnetic resonance 1H spin‐lattice relaxation, single‐crystal X‐ray diffraction, powder X‐ray diffraction, field emission scanning electron microscopy, and differential scanning calorimetry in solid samples of 2‐ethylanthracene (EA) and 2‐ethylanthraquinone (EAQ) that have been physically purified in different ways from the same commercial starting compounds. The solid‐state 1H spin‐lattice relaxation is always non‐exponential at high temperatures as expected when CH3 rotation is responsible for the relaxation. The 1H spin‐lattice relaxation experiments are very sensitive to the “several‐molecule” (clusters) structure of these van der Waals molecular solids. In the three differently prepared samples of EAQ, the relaxation also becomes very non‐exponential at low temperatures. This is very unusual and the decay of the nuclear magnetization can be fitted with both a stretched exponential and a double exponential. This unusual result correlates with the powder X‐ray diffractometry results and suggests that the anomalous relaxation is due to crystallites of two (or more) different polymorphs (concomitant polymorphism).
Isolation of Human Innate Lymphoid Cells
Authors: Krabbendam Lisette , Nagasawa Maho , Spits Hergen , Bal Suzanne M.
Published: June 2018

Innate lymphoid cells (ILCs) are innate immune cells of lymphoid origin that have important effector and regulatory functions in the first line of defense against pathogens, but also regulate tissue homeostasis, remodeling, and repair. Their function mirrors T helper cells and cytotoxic CD8+ T lymphocytes, but they lack expression of rearranged antigen‐specific receptors. Distinct ILC subsets are classified in group 1 ILCs (ILC1s), group 2 ILCs (ILC2s), and group 3 ILCs (ILC3s and lymphoid tissue–inducer cells), based on the expression of transcription factors and the cytokines they produce. As the frequency of ILCs is low, their isolation requires extensive depletion of other cell types. The lack of unique cell surface antigens further complicates the identification of these cells. Here, methods for ILC isolation and characterization from human peripheral blood and different tissues are described. © 2018 by John Wiley & Sons, Inc.
Auto‐Crosslinked Rigid Foams Derived from Biorefinery Byproducts
Authors: Tosi Pierluigi , van Klink Gerard P. M. , Celzard Alain , Fierro Vanessa , Vincent Luc , de Jong Ed , Mija Alice
Published: June 2018

A new macroporous foam‐like material is presented based on autocross‐linking humins, an industrial biorefinery byproduct. Humins foams are obtained by a simple heating process, without any pretreatment and with high control of morphology, porosity, and carbon content. Untreated humins have been characterized by GC, ultra‐performance liquid chromatography (UPLC), elemental analysis, and FTIR, whereas the mechanism of foaming was elucidated by a combination of thermal and rheological analyses. A preliminary screening of conditions was conducted to identify the parameters controlling this foaming process. A foam was produced in a controlled way with open and/or closed cells with cell diameters between 0.2 and 3.5 mm. Humins foams were characterized by Raman spectroscopy, FTIR, SEM, nitrogen adsorption, pycnometry, and mechanical tests. The results show that, based on humins, it is possible to obtain porous materials with controlled architectures and a range of parameters that can be tailored, depending on the foreseen applications.
Zinc‐Coordinated Nitrogen‐Codoped Graphene as an Efficient Catalyst for Selective Electrochemical Reduction of CO2 to CO
Authors: Chen Zhipeng , Mou Kaiwen , Yao Shunyu , Liu Licheng
Published: June 2018

Electrochemical reduction of CO2 to value‐added chemicals by using renewable electricity offers a promising strategy to deal with rising CO2 emission and the energy crisis. Single‐site zinc‐coordinated nitrogen‐codoped graphene (Zn–N–G) catalyzes the electrochemical reduction of CO2 to CO. The Zn–N–G catalyst exhibits excellent intrinsic activity toward CO2 reduction, reaching a faradaic efficiency of 91 % for CO production at a low overpotential of 0.39 V. X‐ray absorption fine structure and X‐ray photoelectron spectroscopy both confirm the presence of isolated Zn–Nx moieties, which act as the key active sites for CO formation. DFT calculations reveal the origin of enhanced activity for CO2 reduction on Zn–N–G catalysts. This work provide further understanding of the active centers on transition metal–nitrogen–carbon (M–N–C) catalysts for electrochemical reduction of CO2 to CO.
Renewable Isohexide‐Based, Hydrolytically Degradable Poly(silyl ether)s with High Thermal Stability
Authors: Vijjamarri Srikanth , Hull Marianne , Kolodka Edward , Du Guodong
Published: June 2018

Several degradable poly(silyl ether)s (PSEs) have been synthesized by dehydrogenative cross‐coupling between bio‐based 1,4:3,6‐dianhydrohexitols (isosorbide and isomannide) and commercially available hydrosilanes. An air‐stable manganese salen nitrido complex [MnVN(salen‐3,5‐tBu2)] was employed as the catalyst. High‐molecular‐weight polymer was obtained from isosorbide and diphenylsilane (Mn up to 17000 g mol−1). Thermal analysis showed that these PSEs possessed high thermal stability with thermal decomposition temperatures (T−5 %) of 347–446 °C and glass transition temperatures of 42–120 °C. Structure–property analysis suggested that steric bulk and molecular weight have a significant influence to determine the thermal properties of synthesized polymers. Importantly, these polymers were degraded effectively to small molecules under acidic and basic hydrolysis conditions.
Plant community response to switchgrass (Panicum virgatum) population source in establishing prairies
Authors: Flint Shelby A. , Jordan Nicholas R. , Shaw Ruth G.
Published: June 2018

Ecological restoration and revegetation efforts entail the translocation of native plant populations. Risks associated with these efforts include failure of translocated populations to establish or, conversely, such strong establishment that they excessively dominate the recipient community. The role that selective breeding plays in mediating these risks is unclear but of increasing importance as efforts to restore and establish multifunctional grasslands also increase. In a three‐year, spatially replicated study, we seeded experimental prairie communities with either domesticated (cultivar) or undomesticated strains of Panicum virgatum (switchgrass), a North American C4 species under development as a biomass crop. We evaluated the composition, performance, and diversity of the recipient plant communities and compared the performance of cultivar and undomesticated switchgrass in those communities. We found little evidence that switchgrass population source affected community response. Switchgrass cultivars modestly exceeded undomesticated strains with respect to stand establishment, third‐year stand density, and aboveground biomass; effect size and significance differed among sites. Our results suggest that including cultivars in ecological restorations and multifunctional grasslands may enhance success of switchgrass establishment with little risk of impairing the composition or diversity of plant communities for up to three years, as reflected in the measures used here. However, the incorporation of undomesticated switchgrass into multifunctional grasslands may enhance landscape‐scale genetic variation and mitigate risks associated with gene flow between translocated and local wild switchgrass populations; more research on these dynamics is needed.
Effects of reverse seasonal submersion on the germination and persistence of soil seed banks in hydro‐fluctuation belts
Authors: Ma Yanran , Chen Fangqing , Chen Shaohua , Guan Shoupeng , Chen Chen
Published: June 2018

The construction of the Three Gorges Dam has resulted in the occurrence of reverse seasonal water‐level fluctuations. The species composition and quantity of riparian soil seed banks collected from four hydro‐fluctuation belts were assessed by simulating different submersion cycles to determine the effects of reverse seasonal water‐level fluctuations on the germination and persistence of soil seed banks in the Three Gorges Reservoir Region. Results showed the number of species that germinated from the soil seed bank decreased with submersion. The number of germinated seeds in soil seed banks after submersion for 7 months in Xingshan, Zigui, Wanzhou, and Zhongxian decreased by 60%, 53%, 57%, and 57%, respectively, relative to the control. The species diversity index and seed density of germinated seeds in soil seed banks also significantly decreased with prolongation of submersion time. Seed density decreased by 93%, 83%, 76%, and 72%, respectively, after 7 months of submersion. Species composition and dominance within the soil seed bank changed over time due to submersion. In general, reverse seasonal submersion negatively impacts the germination and persistence of soil seed banks. The response of soil seed bank germination and persistence to reverse seasonal submersion became the key factor determining the heterogeneity in the spatial distribution of the soil seed bank in hydro‐fluctuation belts due to the large differences in submersion time between areas at various elevations.
The cooler the better? Indirect effect of spring–summer temperature on fecundity in a capital breeder
Authors: Corlatti Luca , Gugiatti Alessandro , Ferrari Nicola , Formenti Nicoletta , Trogu Tiziana , Pedrotti Luca
Published: June 2018

Female reproductive performance is a central component of ungulate population dynamics, and it can be influenced by individual, social, and environmental factors. Researchers have often assumed direct effects of different predictors on reproduction, yet more complex relationships should be considered when investigating temporal variations in life‐history traits within a broader eco‐evolutionary context. In this study, we explored direct effects of individual, social, and environmental predictors on female reproductive performance and investigated potential causal chains among variables. We analyzed the variation in fecundity, measured as the probability of being pregnant, in 215 adult female deer Cervus elaphus culled on the Italian Alps, with respect to age, body mass, kidney fat, jaw length, lactation status, population size, temperature and precipitation in spring–summer, temperature and snow depth in winter, and the delayed effect of spring–summer temperature. We used random forest and logistic regression models to select variables whose direct effects best explained variation in fecundity. Path analysis was used to test for alternative hypotheses of direct/indirect effects between pre‐selected weather (spring–summer temperature) and individual (age, kidney fat index [KFI]) predictors. The most important direct predictors of fecundity were age, kidney fat, and the interaction between kidney fat and spring–summer temperature. Path analysis supported the hypothesis that higher spring–summer temperature had negative, indirect effects on the probability of being pregnant, mediated by decreasing values of KFI. Our study revealed some complex, cause–effect relationships between weather stochasticity, body condition, and reproduction, possibly suggesting a conditional trade‐off between opportunity for reproduction and survival, and emphasizing how environmental variations and individual characteristics may interact to shape life‐history traits in ungulate populations.
Excimer and Red Luminescence Due to Aggregation‐Induced Emission in Naphthalene Based Zinc Phosphonate
Authors: Bloyet Clarisse , Rueff Jean‐Michel , Cardin Julien , Caignaert Vincent , Doualan Jean‐Louis , Lohier Jean‐François , Jaffrès Paul‐Alain , Raveau Bernard
Published: June 2018

The phosphonate Zn(PO3–CH2–C10H7) has been obtained as single crystals and polycrystalline powder by hydrothermal synthesis from the parent acid 1‐naphthylmethylphosphonic acid H2PO3CH2–C10H7. This Zn phosphonate exhibits a unique layered structure (P21/c), built up of single inorganic [ZnPO3C] layers stacked with organic bilayers of naphthylmethyl moieties “CH2–C10H7”. The inorganic [ZnPO3C] layers consist of infinite zig‐zag chains of corner‐sharing ZnO4 tetrahedrons running along the b direction and interconnected through PO3C tetrahedrons along c. The luminescence properties of this compound show two features never observed so far in any hybrid matrix containing naphthalene ligand: excimer emission characterized by one band fitted at 403 nm; and red luminescence, at room temperature, characterized by six bands fitted at 588, 611, 629, 667, 689, and 734 nm. Comparison with the structure and luminescence properties of the parent phosphonic acid shows that these exceptional luminescence properties originate from particularly strong π–π interactions, between the close‐packed naphthalene rings with F2F and L‐shaped conformations. The extremely fast decay of red emission (τ ≈ 50 ns) shows that the latter is due to aggregation‐induced emission (AIE), rather than to phosphorescence. The role of the inorganic [ZnPO3C] layers, which enhance the rigidity of the structure and restrict intramolecular motions, is also discussed to explain the appearance of the luminescence properties.
Lewis Acid Catalyzed [3+2] Annulation of γ‐Butyrolactone Fused Cyclopropane with Aldehydes/Ketones
Authors: Yang Pengfei , Shen Yue , Feng Manli , Yang Gaosheng , Chai Zhuo
Published: June 2018

The [3+2] annulation reaction of γ‐butyrolactone fused cyclopropanes with aldehydes or ketones under Lewis acid catalysis is described. Compared to their parent donor–acceptor (D–A) cyclopropanes, such fused bicyclic cyclopropanes demonstrated much better reactivity in this type of annulation process, providing accesses to densely substituted γ‐butyrolactone fused tetrahydrofurans bearing multiple adjacent stereogenic centers with a low catalyst loading (1–5 mol‐%), excellent diastereoselectivity, and a broad substrate scope under mild reaction conditions.
Conformer Distribution in Rotaxanes Containing Nonsymmetric Threads: A Systematic Approach
Authors: Orlando Tainára , Salbego Paulo R. S. , Zimmer Geórgia C. , Pagliari Anderson B. , Bender Caroline R. , Rodrigues Leticia V. , Bonacorso Helio G. , Zanatta Nilo , Berná Jose , Martins Marcos A. P.
Published: June 2018

Rotaxanes are designated as molecular machines due their different movements. Systematic studies regarding the different conformations adopted by these systems and the factors that lead to the distribution of the conformations, in both solution and the solid state, have not been widely explored, especially for rotaxanes with nonsymmetric stoppers. Therefore, in this study we have investigated three novel [2]rotaxanes containing threads derived from nonsymmetric succinamides [R1R2NC(O)‐CH2CH2‐C(O)NR2R1, with R1/R2 = Bu/Bn, Bu/2‐furylmethyl, and 5‐methylisoxazol‐3‐yl/2‐furylmethyl]. The proportions of rotamers were investigated for threads and rotaxanes by solution and solid‐state NMR spectroscopy as well as by single‐crystal and powder X‐ray diffraction. In solution, the threads present different proportions of conformer, with the E,Z conformation prevailing, whereas only one conformer is observed in the solid state. For the rotaxanes, only one conformer prevails in the single crystal, whereas the solution and solid (bulk) states present more than one rotamer. These proportions are modified when the threads are incorporated into the macrocycle during rotaxane formation. The intramolecular interactions in each rotamer were investigated by QTAIM and variable‐temperature 1H NMR experiments. The changes in conformational population between the threads and respective rotaxanes can be explained by a set of different intramolecular interactions, with trifurcated hydrogen bonds responsible for most of the stabilization energy.
Level of readiness of chronic pain patients to practise active self‐care
Authors: Scala E. , Decosterd I. , Faouzi M. , Burnand B. , Rodondi P.‐Y.
Published: June 2018

Background

Given the limited alleviation of chronic pain with pharmacological treatments, various nonpharmacological and self‐care approaches are often proposed that require patients’ motivation.

Objective

To evaluate the level of readiness (LOR) to practise different types of active self‐care among chronic pain patients.

Method

A quantitative cross‐sectional survey was conducted among all chronic pain patients seeking care at the Pain Center of an academic hospital from June 2013 to March 2015. Sociodemographic data, pain characteristics, treatments and the LOR to practise active self‐care were investigated.

Results

Among the 1524 eligible patients, 639 (41.9%) were included. The median pain duration was 8.5 years (interquartile range = 7.5). Two‐thirds (63.7%) of the patients reported high pain‐related disability, and 64.6% had used opioids during the previous six months. Most patients had a high (44.1%) or moderate (24.6%) LOR to practise active self‐care. Multivariable multinomial regression analysis showed that independent factors associated with a high LOR were a higher level of education (relative risk ratio (RRR) = 3.42, 95% confidence interval (CI): 1.90–6.13, p < 0.001), unemployed status due to medical condition (RRR = 2.92, 95% CI: 1.30–6.56, p = 0.009), the use of dietary supplements ‘against pain’ (RRR = 2.77, 95% CI: 1.52–5.04, p = 0.001) and neuropathic pain characteristics (RRR = 1.80, 95% CI: 1.40–3.12, p = 0.036). Older age was a factor predicting a lower LOR (RRR = 0.97, 95% CI: 0.94–0.99, p = 0.039). Long‐term chronic pain, severe pain‐related disability and the presence of a mood disorder were not associated with a lower LOR.

Conclusion

Most chronic pain patients, including those severely affected, indicated their readiness to practise active self‐care methods.

Significance

Most chronic pain patients, even those severely affected, appeared to be ready to practise active self‐care therapies and we believe that further studies are needed to investigate their impact on pain and quality of life.
Comparison of orofacial thermal sensitivity assessed with simple devices and sophisticated equipment
Authors: Ayranci M. , Koutris M. , Lobbezoo F. , Svensson P. , Baad‐Hansen L.
Published: June 2018

Background

Simple thermal devices providing reliable data are needed to detect somatosensory disturbances in non‐specialized clinical settings. Currently, evidence is lacking about their use. Therefore, the aim was to compare the assessment of perceived thermal sensitivity/pain in healthy humans with a state‐of‐the‐art thermotester and with simple inexpensive customized thermal aluminium devices.

Methods

Twenty healthy volunteers participated in the study. The infraorbital region and the tip of the tongue were tested with the Medoc Pathway thermotester and simple aluminium thermal devices, with temperatures varying between 5–50°C. A numerical rating scale (NRS) from 0–50–100 was used for rating the perceived thermal sensitivity/painfulness. A control experiment was performed with 10 of the participants to test the potential impact of temporal summation of thermal stimuli with the use of temperature ramps (Medoc) compared with static temperature (simple devices).

Results

In the original experiment, the scores from the thermotester stimulation were higher than the scores for stimulation with the simple thermal devices with mean NRS differences between devices of 7.2 and 10.2 for the two tested regions. In the control experiment, the mean NRS differences decreased to −0.3 and 2.2, respectively.

Conclusions

Provided that temporal summation of the thermal stimuli was avoided, there were only minor differences in perceived thermal sensitivity/painfulness between the two different assessment methods at both test sites. Therefore, the simple thermal devices can be useful for assessment of thermal sensitivity in clinical settings without access to expensive sophisticated equipment. However, more sophisticated equipment is needed for threshold measurements.

Significance

This study indicates that simple thermal devices to some extent can be used in a comparable way with sophisticated thermal stimulators. Therefore, they can be useful in clinical practice, where access to further equipment is lacking.