bluuebunny/crossref_metadata_2025 huggingface dataset:
The Importance of Freshwater to Spatial Variability of Aragonite Saturation State in the Gulf of Alaska
Authors: Siedlecki Samantha A. , Pilcher Darren J. , Hermann Albert J. , Coyle Ken , Mathis Jeremy
Published: September 2017

High‐latitude and subpolar regions like the Gulf of Alaska (GOA) are more vulnerable than equatorial regions to rising carbon dioxide (CO2) levels, in part due to local processes that amplify the global signal. Recent field observations have shown that the shelf of the GOA is currently experiencing seasonal corrosive events (carbonate mineral saturation states Ω, Ω < 1), including suppressed Ω in response to ocean acidification as well as local processes like increased low‐alkalinity glacial meltwater discharge. While the glacial discharge mainly influences the inner shelf, on the outer shelf, upwelling brings corrosive waters from the deep GOA. In this work, we develop a high‐resolution model for carbon dynamics in the GOA, identify regions of high variability of Ω, and test the sensitivity of those regions to changes in the chemistry of glacial meltwater discharge. Results indicate the importance of this climatically sensitive and relatively unconstrained regional freshwater forcing for Ω variability in the nearshore. The increase was nearly linear at 0.002 Ω per 100 µmol/kg increase in alkalinity in the freshwater runoff. We find that the local winds, biological processes, and freshwater forcing all contribute to the spatial distribution of Ω and identify which of these three is highly correlated to the variability in Ω. Given that the timing and magnitude of these processes will likely change during the next few decades, it is critical to elucidate the effect of local processes on the background ocean acidification signal using robust models, such as the one described here.
Eddy‐Resolving Simulation of the Atlantic Water Circulation in the Fram Strait With Focus on the Seasonal Cycle
Authors: Wekerle Claudia , Wang Qiang , von Appen Wilken‐Jon , Danilov Sergey , Schourup‐Kristensen Vibe , Jung Thomas
Published: September 2017

Eddy driven recirculation of Atlantic Water (AW) in the Fram Strait modifies the amount of heat that reaches the Arctic Ocean, but is difficult to constrain in ocean models due to very small Rossby radius there. In this study, we explore the effect of resolved eddies on the AW circulation in a locally eddy‐resolving simulation of the global Finite‐Element‐Sea ice‐Ocean Model (FESOM) integrated for the years 2000–2009, by focusing on the seasonal cycle. An eddy‐permitting simulation serves as a control run. Our results suggest that resolving local eddy dynamics is critical to realistically simulate ocean dynamics in the Fram Strait. Strong eddy activity simulated by the eddy‐resolving model, with peak in winter and lower values in summer, is comparable in magnitude and seasonal cycle to observations from a long‐term mooring array, whereas the eddy‐permitting simulation underestimates the observed magnitude. Furthermore, a strong cold bias in the central Fram Strait present in the eddy‐permitting simulation is reduced due to resolved eddy dynamics, and AW transport into the Arctic Ocean is increased with possible implications for the Arctic Ocean heat budget. Given the good agreement between the eddy‐resolving model and measurements, it can help filling gaps that point‐wise observations inevitably leave. For example, the path of the West Spitsbergen Current offshore branch, measured in the winter months by the mooring array, is shown to continue cyclonically around the Molloy Deep in the model, representing the major AW recirculation branch in this season.
Acoustic Tomography in the Canary Basin: Meddies and Tides
Authors: Dushaw Brian D. , Gaillard Fabienne , Terre Thierry
Published: September 2017

An acoustic propagation experiment over 308 km range conducted in the Canary Basin in 1997–1998 was used to assess the ability of ocean acoustic tomography to measure the flux of Mediterranean water and Meddies. Instruments on a mooring adjacent to the acoustic path measured the southwestward passage of a strong Meddy in temperature, salinity, and current. Over 9 months of transmissions, the acoustic arrival pattern was an initial broad stochastic pulse varying in duration by 250–500 ms, followed eight stable, identified‐ray arrivals. Small‐scale sound speed fluctuations from Mediterranean water parcels littered around the sound channel axis caused acoustic scattering. Internal waves contributed more modest acoustic scattering. Based on simulations, the main effect of a Meddy passing across the acoustic path is the formation of many early‐arriving, near‐axis rays, but these rays are thoroughly scattered by the small‐scale Mediterranean‐water fluctuations. A Meddy decreases the deep‐turning ray travel times by 10–30 ms. The dominant acoustic signature of a Meddy is therefore the expansion of the width of the initial stochastic pulse. While this signature appears inseparable from the other effects of Mediterranean water in this region, the acoustic time series indicates the steady passage of Mediterranean water across the acoustic path. Tidal variations caused by the mode‐1 internal tides were measured by the acoustic travel times. The observed internal tides were partly predicted using a recent global model for such tides derived from satellite altimetry.
The Influence of Recurrent Modes of Climate Variability on the Occurrence of Monthly Temperature Extremes Over South America
Authors: Loikith Paul C. , Detzer Judah , Mechoso Carlos R. , Lee Huikyo , Barkhordarian Armineh
Published: September 2017

The associations between extreme temperature months and four prominent modes of recurrent climate variability are examined over South America. Associations are computed as the percent of extreme temperature months concurrent with the upper and lower quartiles of the El Niño–Southern Oscillation (ENSO), the Atlantic Niño, the Pacific Decadal Oscillation (PDO), and the Southern Annular Mode (SAM) index distributions, stratified by season. The relationship is strongest for ENSO, with nearly every extreme temperature month concurrent with the upper or lower quartiles of its distribution in portions of northwestern South America during some seasons. The likelihood of extreme warm temperatures is enhanced over parts of northern South America when the Atlantic Niño index is in the upper quartile, while cold extremes are often association with the lowest quartile. Concurrent precipitation anomalies may contribute to these relations. The PDO shows weak associations during December, January, and February, while in June, July, and August its relationship with extreme warm temperatures closely matches that of ENSO. This may be due to the positive relationship between the PDO and ENSO, rather than the PDO acting as an independent physical mechanism. Over Patagonia, the SAM is highly influential during spring and fall, with warm and cold extremes being associated with positive and negative phases of the SAM, respectively. Composites of sea level pressure anomalies for extreme temperature months over Patagonia suggest an important role of local synoptic scale weather variability in addition to a favorable SAM for the occurrence of these extremes.
Genetically encoding thioacetyl‐lysine as a non‐deacetylatable analog of lysine acetylation in Escherichia coli
Authors: Venkat Sumana , Nannapaneni Dharma Theja , Gregory Caroline , Gan Qinglei , McIntosh Matt , Fan Chenguang
Published: September 2017

Reversible lysine acetylation is one of the most widely distributed post‐translational modifications; it is involved in a variety of biological processes and can be found in all three domains of life. Acetyltransferases and deacetylases work coordinately to control levels of protein acetylation. In this work, we applied the genetic code expansion strategy to site‐specifically incorporate Nε‐thioacetyl‐l‐lysine (TAcK) as an analog of Nε‐acetyl‐l‐lysine (AcK) into green fluorescent protein and malate dehydrogenase in Escherichia coli. We showed that TAcK could serve as an ideal functional mimic for AcK. It could also resist the bacterial sirtuin‐type deacetylase CobB. Thus, genetic incorporation of TAcK as a non‐deacetylatable analog of AcK into proteins will facilitate in vivo studies of protein acetylation.
Prediction of target genes for miR‐140‐5p in pulmonary arterial hypertension using bioinformatics methods
Authors: Li Fangwei , Shi Wenhua , Wan Yixin , Wang Qingting , Feng Wei , Yan Xin , Wang Jian , Chai Limin , Zhang Qianqian , Li Manxiang
Published: September 2017

The expression of microRNA (miR)‐140‐5p is known to be reduced in both pulmonary arterial hypertension (PAH) patients and monocrotaline‐induced PAH models in rat. Identification of target genes for miR‐140‐5p with bioinformatics analysis may reveal new pathways and connections in PAH. This study aimed to explore downstream target genes and relevant signaling pathways regulated by miR‐140‐5p to provide theoretical evidences for further researches on role of miR‐140‐5p in PAH. Multiple downstream target genes and upstream transcription factors (TFs) of miR‐140‐5p were predicted in the analysis. Gene ontology (GO) enrichment analysis indicated that downstream target genes of miR‐140‐5p were enriched in many biological processes, such as biological regulation, signal transduction, response to chemical stimulus, stem cell proliferation, cell surface receptor signaling pathways. Kyoto Encyclopedia of Genes and Genome (KEGG) pathway analysis found that downstream target genes were mainly located in Notch, TGF‐beta, PI3K/Akt, and Hippo signaling pathway. According to TF–miRNA–mRNA network, the important downstream target genes of miR‐140‐5p were PPI, TGF‐betaR1, smad4, JAG1, ADAM10, FGF9, PDGFRA, VEGFA, LAMC1, TLR4, and CREB. After thoroughly reviewing published literature, we found that 23 target genes and seven signaling pathways were truly inhibited by miR‐140‐5p in various tissues or cells; most of these verified targets were in accordance with our present prediction. Other predicted targets still need further verification in vivo and in vitro.
Medical Expenditures and Earnings Losses Among US Adults With Arthritis in 2013
Authors: Murphy Louise B. , Cisternas Miriam G. , Pasta David J. , Helmick Charles G. , Yelin Edward H.
Published: September 2017

Objective

We estimated the economic impact of arthritis using 2013 US Medical Expenditure Panel Survey (MEPS) data.

Methods

We calculated arthritis‐attributable and all‐cause medical expenditures for adults age ≥18 years and arthritis‐attributable earnings losses among those ages 18–64 years who had ever worked. We calculated arthritis‐attributable costs using multistage regression‐based methods, and conducted sensitivity analyses to estimate costs for 2 other arthritis definitions in MEPS.

Results

In 2013, estimated total national arthritis‐attributable medical expenditures were $139.8 billion (range $135.9–$157.5 billion). Across expenditure categories, ambulatory care expenditures accounted for nearly half of arthritis‐attributable expenditures. All‐cause expenditures among adults with arthritis represented 50% of the $1.2 trillion national medical expenditures among all US adults in MEPS. Estimated total national arthritis‐attributable earning losses were $163.7 billion (range $163.7–$170.0 billion). The percentage with arthritis who worked in the past year was 7.2 percentage points lower than those without arthritis (76.8% [95% confidence interval (95% CI)] 75.0–78.6 and 84.0% [95% CI 82.5–85.5], respectively, adjusted for sociodemographics and chronic conditions). Total arthritis‐attributable medical expenditures and earnings losses were $303.5 billion (range $303.5–$326.9 billion).

Conclusion

Total national arthritis‐attributable medical care expenditures and earnings losses among adults with arthritis were $303.5 billion in 2013. High arthritis‐attributable medical expenditures might be reduced by greater efforts to reduce pain and improve function. The high earnings losses were largely attributable to the substantially lower prevalence of working among those with arthritis compared to those without, signaling the need for interventions that keep people with arthritis in the workforce.
Organometal Halide Perovskite Solar Cells with Improved Thermal Stability via Grain Boundary Passivation Using a Molecular Additive
Authors: Park Chaneui , Ko Hyomin , Sin Dong Hun , Song Kyu Chan , Cho Kilwon
Published: September 2017

Organometal halide perovskite solar cells (PeSCs) are regarded as promising photovoltaics due to their outstanding power conversion efficiencies (PCEs). However, even though their PCEs are achieved over 20%, their intrinsically poor stability is a big bottleneck for their practical uses. Here, a simple method is reported using phenyl‐C61‐butyric acid methyl ester as a molecular additive to improve thermal stability of organometal halide perovskite crystals, which also improves the PCEs of the associated PeSCs. Moreover, by varying the grain size of perovskite crystals up to ≈150 µm, it is demonstrated that grain boundary plays a significant role in their thermal stability. Cells with smaller grain interface area (i.e., larger grain size) have higher thermal stability. The additive is located at grain boundaries and found to induce electron transfer reactions with halogens in the perovskite. The reaction products chemically passivate perovskite crystals and strongly bind halogen atoms at grain boundaries to their crystal lattice, preventing them from exiting from the crystal lattice, which improves thermal stability of perovskite crystals. This study offers a simple method for improving thermal stability of perovskite without any loss and opens up the possibility of the use of various molecular additives to achieve highly stable PeSCs.
Fiber‐Based Thermoelectric Generators: Materials, Device Structures, Fabrication, Characterization, and Applications
Authors: Zhang Lisha , Lin Shuping , Hua Tao , Huang Baoling , Liu Shiri , Tao Xiaoming
Published: September 2017

Fiber‐based flexible thermoelectric energy generators are 3D deformable, lightweight, and desirable for applications in large‐area waste heat recovery, and as energy suppliers for wearable or mobile electronic systems in which large mechanical deformations, high energy conversion efficiency, and electrical stability are greatly demanded. These devices can be manufactured at low or room temperature under ambient conditions by established industrial processes, offering cost‐effective and reliable products in mass quantity. This article presents a critical overview and review of state‐of‐the‐art fiber‐based thermoelectric generators, covering their operational principle, materials, device structures, fabrication methods, characterization, and potential applications. Scientific and practical challenges along with critical issues and opportunities are also discussed.
Semiconducting Metal Oxide Nanostructures for Water Splitting and Photovoltaics
Authors: Concina Isabella , Ibupoto Zafar Hussain , Vomiero Alberto
Published: September 2017

Metal oxide (MOx) semiconducting nanostructures hold the potential for playing a critical role in the development of a new platform for renewable energies, including energy conversion and storage through photovoltaic effect, solar fuels, and water splitting. Earth‐abundant MOx nanostructures can be prepared through simple and scalable routes and integrated in operating devices, which enable exploitation of their outstanding optical, electronic, and catalytic properties. In this review, the latest research results in this field are illustrated, highlighting the versatility of MOx nanostructures in meeting the stringent requirements to boost the efficiency of different systems. The functional properties inherently correlate to the morphology and the crystalline habit of MOx, which in most of the cases are organized in complex heterostructures. Tailoring the assembly of heterojunctions and their electronic band structure, the catalytic surface properties and the charge transport through complex networks represent the main challenge for the transition of MOx from the research to the real‐life in the field of energy conversion and storage.
Iron‐based electrochemically mediated atom transfer radical polymerization with tunable catalytic activity
Authors: Guo Jun‐Kang , Zhou Yin‐Ning , Luo Zheng‐Hong
Published: September 2017

An iron‐based electrochemically mediated atom transfer radical polymerization (eATRP) system with tunable catalytic activity was developed by adjusting the supporting electrolyte formula. Kinetic behaviors of the systems using four typical supporting electrolytes (namely, TBABr, TBAPF6, TBACl, and TBABF4) were investigated. The type of anions was found to significantly affect the polymerization kinetics. TBAPF6 system proceeded with a considerable polymerization rate, whereas TBABr system showed better controllability. Importantly, the effect of supporting electrolyte on eATRP kinetics (mainly on ATRP equilibrium) was confirmed through kinetic modeling. Furthermore, the effect of catalyst loading using TBAPF6 as supporting electrolyte was also studied, and the results showed an uncontrolled polymerization for catalyst loading lower than 500 ppm. When hybrid supporting electrolyte (TBAPF6/TBABr) was used to tune catalytic activity, the polymerization slows down and the dispersity decreases with the increase in TBABr ratio. Polymers with a narrow molecular weight distribution (dispersity index <1.5) were obtained using 100% TBABr under 100 ppm catalyst. Besides, experimental attempt to improve the controllability by adding halogen donors was made, whereas the halogen donors just prolonged the induction period and no improvement was achieved. As a whole, a deeper understanding of kinetic studies is obtained by these controlled trials. © 2017 American Institute of Chemical Engineers AIChE J, 64: 961–969, 2018
Catalytic combustion of SOFC stack flue gas over CuO and Mn2O3 supported by La0.8Sr0.2Mn0.67Cu0.33O3 perovskite
Authors: Sung Jae Gi , Kim Taewook , Jung Han Kyu , Kim Hwan , Chung Jong Shik
Published: September 2017

An efficient oxidation catalyst was developed to increase the combustion efficiency of unreacted CO, H2, and CH4 in flue gas of solid oxide fuel cell (SOFC) stack. Amorphous Cu‐Mn oxide catalyst (CuMnLa/Alumina) showed high catalytic activity, but significant degradation occurred due to phase transition to spinel structure at high temperatures (T > 650°C). La0.8Sr0.2Mn0.67Cu0.33O3 perovskite (LSMC(p)) supported CuO or Mn2O3 exhibited improved thermal stability than CuMnLa/Alumina catalyst. Especially in case of 50Mn/LSMC(p), after the catalyst was exposed to 800°C for 24 h, T50 of CO, H2 and CH4 was achieved at 170, 230, and 600°C, respectively. This result is much lower than that of CuMnLa/Alumina, which was exposed to the same condition. The high combustion efficiency is due to retention of the Cu2+‐Mn3+ redox couple, and supply of lattice oxygen from LSMC(p), especially at high temperature. © 2017 American Institute of Chemical Engineers AIChE J, 64: 940–949, 2018
A tribute to professor Roy Jackson: Intellectual leader, scholar, mentor
Authors: Sundaresan Sankaran , Feinberg Martin , Rao K. Kesava , Nott Prabhu R.
Published: September 2017

This article, and this entire issue of the AIChE Journal, are meant to honor Professor Roy Jackson, whose contributions to chemical engineering have been profound and exceptionally broad. It is often said of Roy Jackson that few, if any, scholars have so deep a command of the full range of highly varied subjects that comprise the chemical engineering discipline. A hardly complete description of Professor Jackson's wide‐ranging academic journey was attempted, both geographic (Cambridge, London, Edinburgh, Houston, Pasadena, Princeton) and intellectual (fluidization, mechanics of granular flows, process optimization, chemical reaction network theory, diffusion and reaction in porous catalyst pellets). The contributions of friends and colleagues appearing elsewhere in this issue are a testament to the broad range of subjects in which Professor Jackson had interest. © 2017 American Institute of Chemical Engineers AIChE J, 63: 5239–5249, 2017
Development of Pyrene Derivatives as Promising n‐Type Semiconductors: Synthesis, Structural and Spectral Properties
Authors: Liu Minglun , Gong Xiaojie , Zheng Chaoyue , Gao Deqing
Published: September 2017

A series of promising candidates for n‐type semiconductors, which were based on a 1,6‐, 1,8‐ and mono‐substituted pyrene‐thiophene backbone with a cyano group and dicyanovinylene moieties, were synthesized. The compounds were characterized using NMR spectroscopy, elemental analysis, UV‐vis, photoluminescence (PL), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), cyclic voltametry (CV) and DFT calculations. The substituent effects on molecular properties were studied in detail. It was found that the dicyanovinylene substitution enhanced the coplanarity of the π‐conjugated systems as compared to cyano substitution. The LUMO energy level was located deeply, and one of them had LUMO of below −4.00 eV, indicating that they may be promising candidates for n‐type semiconductors.
Palladium‐Catalyzed Double Suzuki Reactions: Synthesis of Dibenzo[4,5:6,7]cyclohepta[1,2,3‐de]naphthalenes
Authors: Li Xin , Han Jian‐Wei , Zhang Yan‐Xia , Wong Henry N. C.
Published: September 2017

As an indispensable member in the family of polycyclic aromatic hydrocarbons (PAHs), the synthesis of dibenzo[4,5:6,7]cyclohepta‐[1,2,3‐de]naphthalene (DBnaphthalene) has not been recorded, despite the fact that similar structure of this moiety exists widely in many popular PAHs with unique optical and electronical properties. Herein we report the first synthesis of dibenzo[4,5:6,7]cyclohepta‐[1,2,3‐de]naphthalene and its derivatives using palladium‐catalyzed double Suzuki coupling reactions. These DBnaphthalenes are expected to be useful for the “bottom‐up” synthesis of functional aromatic molecules.
Cuboid Ni2P as a Bifunctional Catalyst for Efficient Hydrogen Generation from Hydrolysis of Ammonia Borane and Electrocatalytic Hydrogen Evolution
Authors: Du Yeshuang , Liu Chao , Cheng Gongzhen , Luo Wei
Published: September 2017

The design of high‐performance catalysts for hydrogen generation is highly desirable for the upcoming hydrogen economy. Herein, we report the colloidal synthesis of nanocuboid Ni2P by the thermal decomposition of nickel chloride hexahydrate (NiCl2⋅6 H2O) and trioctylphosphine. The obtained nanocuboid Ni2P was characterized by using powder X‐ray diffraction, transmission electron microscopy, energy‐dispersive X‐ray spectroscopy, X‐ray photoelectron spectroscopy, and inductively coupled plasma atomic emission spectroscopy. For the first time, the as‐synthesized nanocuboid Ni2P is used as a bifunctional catalyst for hydrogen generation from the hydrolysis of ammonia borane and electrocatalytic hydrogen evolution. Owing to the strong synergistic electronic effect between Ni and P, the as‐synthesized Ni2P exhibits catalytic performance that is superior to its counterpart without P doping.
Process development of a FGF21 protein–antibody conjugate
Authors: Dirksen Anouk , Davis Keith A. , Collins Joe T. , Bhattacharya Keshab , Finneman Jari I. , Pepin Erin L. , Ryczek Jeffrey S. , Brown Paul W. , Wellborn William B. , Mangalathillam Ratish , Evans Brad P. , Pozzo Mark J. , Finn Rory F.
Published: September 2017

A scalable, viable process was developed for the Fibroblast Growth Factor 21 (FGF21) protein‐antibody conjugate, CVX‐343, an extended half‐life therapeutic for the treatment of metabolic disease. CVX‐343 utilizes the CovX antibody scaffold technology platform that was specifically developed for peptide and protein half‐life extension. CVX‐343 is representative of a growing number of complex novel peptide‐ and protein‐based bioconjugate molecules currently being explored as therapeutic candidates. The complexity of these bioconjugates, assembled using well‐established chemistries, can lead to very difficult production schemes requiring multiple starting materials and a combination of diverse technologies. Key improvements had to be made to the original CVX‐343 Phase 1 manufacturing process in preparation for Phase 3 and commercial manufacturing. A strategy of minimizing FGF21A129C dimerization and stabilizing the FGF21A129C Drug Substance Intermediate (DSI), linker, and activated FGF21 intermediate was pursued. The use of tris(2‐carboxyethyl)phosphine (TCEP) to prevent FGF21A129C dimerization through disulfide formation was eliminated. FGF21A129C dimerization and linker hydrolysis were minimized by formulating and activating FGF21A129C at acidic instead of neutral pH. An activation use test was utilized to guide FGF21A129C pooling in order to minimize misfolds, dimers, and misfolded dimers in the FGF21A129C DSI. After final optimization of reaction conditions, a process was established that reduced the consumption of FGF21A129C by 36% (from 4.7 to 3.0 equivalents) and the consumption of linker by 55% (from 1.4 to 0.95 equivalents for a smaller required amount of FGF21A129C). The overall process time was reduced from ∼5 to ∼3 days. The product distribution improved from containing ∼60% to ∼75% desired bifunctionalized (+2 FGF21) FGF21‐antibody conjugate in the crude conjugation mixture and from ∼80% to ∼85% in the final CVX‐343 Drug Substance (DS), while maintaining the same overall process yield based on antibody scaffold input.
Carbothioamide as Highly Efficient Ligand for Copper‐catalyzed Room Temperature Chan–Lam Cross‐Coupling Reaction
Authors: Baruah Jayantajit , Gogoi Kongkona , Dewan Anindita , Borah Geetika , Bora Utpal
Published: September 2017

The catalytic activity of three N,S‐donor ligands, viz L1 [2‐(4‐methoxybenzylidene)‐N‐phenylhydrazinecarbothioamide], L2 [2,2′‐(1,2‐diphenylethane‐1,2‐diylidene)bis(hydrazinecarbothioamide)] and L3 [2‐(4‐methoxybenzylidene)hydrazinecarbothioamide] has been reported for N‐arylation of imidazoles with arylboronic acids in ethanol at room temperature. The method was found to be applicable in N‐arylation for a wide range of electronically diverse arylboronic acids with imidazoles having modest to excellent isolated yields. The in situ generated copper(II) complex of the ligand namely, 2‐(4‐methoxybenzylidene)‐N‐phenylhydrazinecarbothioamide (L1) was found to be highly efficient homogeneous catalyst for N‐arylation reaction.
Clinical impact of tumor location on the colon cancer survival and recurrence: analyses of pooled data from three large phase III randomized clinical trials
Authors: Aoyama Toru , Kashiwabara Kosuke , Oba Koji , Honda Michitaka , Sadahiro Sotaro , Hamada Chikuma , Maeda Hiromichi , Mayanagi Shuhei , Kanda Mitsuro , Sakamoto Junichi , Saji Shigetoyo , Yoshikawa Takaki
Published: September 2017

The aim of the present study was to determine whether or not the overall survival (OS) and disease‐free survival (DFS) were affected by the tumor location in patients who underwent curative resection for colon cancer in a pooled analysis of three large phase III studies performed in Japan. In total, 4029 patients were included in the present study. Patients were classified as having right‐side colon cancer (RC) if the primary tumor was located in the cecum, ascending colon, hepatic flexure or transverse colon, and left‐side colon cancer (LCC) if the tumor site was within the splenic flexure, descending colon, sigmoid colon or recto sigmoid junction. The risk factors for the OS and DFS were analyzed. In the present study, 1449 patients were RC, and 2580 were LCC. The OS rates at 3 and 5 years after surgery were 87.6% and 81.6% in the RC group and 91.5% and 84.5% in the LCC group, respectively. Uni‐ and multivariate analyses showed that RRC increased the risk of death by 19.7% (adjusted hazard ratio = 1.197; 95% confidence interval, 1.020–1.408; P = 0.0272). In contrast, the DFS was similar between the two locations. The present study confirmed that the tumor location was a risk factor for the OS in patients who underwent curative treatment for colon cancer. Tumor location may, therefore, need to be considered a stratification factor in future phase III trials of colon cancer.
Late diagnosis of systemic lupus erythematosus and antiphospholipid syndrome in an older woman with psychosis: a case report and review of the literature
Authors: Montero‐Olvera Pablo Rodrigo , Berebichez‐Fridman Roberto , Velázquez‐Álvarez Lorena , Ríos‐Morales Juan Rogelio , Rodríguez‐Guiza Manuel Alejandro
Published: September 2017

Key Clinical Message

In older adults with first‐time psychiatric manifestations, physical disorders such as systemic lupus erythematosus (SLE) and antiphospholipid syndrome (APS) must be considered, even in patients with cognitive dysfunction and/or dementia. Here, we describe the case of a 77‐year‐old woman with psychosis who was later diagnosed with SLE and APS.
Hydrophosphonylation of Alkynes with Trialkyl Phosphites Catalyzed by Nickel
Authors: Islas Rosa E. , García Juventino J.
Published: September 2017

The use of simple and inexpensive NiCl2⋅6 H2O as a catalyst precursor for C−P bond formation in the presence of commercially available trialkyl phosphites (P(OR)3, R=Et, iPr, Bu, SiMe3) along with several alkynes is presented. Control experiments showed the in situ formation of (RO)2P(O)H as the species that undergo the addition into the C≡C bond at the alkynes to yield the product of P−H addition. The hydrophosphonylation of diphenylacetylene with P(OEt)3, P(OiPr)3, and P(OSiMe3)3 proceeds in high yields (>92 %) without the need of a specific solvent or ligand. This method is useful for the preparation of organophosphonates for both phenylacetylene as a terminal alkyne model and internal alkynes in yields that range from good to modest.
Hydrogen Production from Co‐Gasification of Coal and Biomass in the Presence of CaO as a Sorbent
Authors: Gao Wei , Yan Li , Tahmoures Mohammad , Asgari Safdar Amir Hossein
Published: September 2017

Among the options for clean energy production, the gasification process is receiving increasing attention as it offers the best combination of investment and value of produced electricity compared to other methods. An Aspen Plus model of co‐gasification of biomass and coal with in situ CO2 capture was developed to evaluate its potential for hydrogen production and cracking of organic impurities, i.e., tars. The effects of some critical operational variables on gas composition and yields of hydrogen gas and tar were investigated. The obtained results indicate that the fuel particle size plays a minor role in the process; smaller particles favor the conversion of tar and production of more hydrogen gas.
Ag1Pd1 Nanoparticles–Reduced Graphene Oxide as a Highly Efficient and Recyclable Catalyst for Direct Aryl C−H Olefination
Authors: Hu Qiyan , Liu Xiaowang , Wang Guoliang , Wang Feifan , Li Qian , Zhang Wu
Published: September 2017

The efficient and selective palladium‐catalyzed activation of C−H bonds is of great importance for the construction of diverse bioactive molecules. Despite significant progress, the inability to recycle palladium catalysts and the need for additives impedes the practical applications of these reactions. Ag1Pd1 nanoparticles–reduced graphene oxide (Ag1Pd1‐rGO) was used as highly efficient and recyclable catalyst for the chelation‐assisted ortho C−H bond olefination of amides with acrylates in good yields with a broad substrate scope. The catalyst can be recovered and reused at least 5 times without losing activity. A synergistic effect between the Ag and Pd atoms on the catalytic activity was found, and a plausible mechanism for the AgPd‐rGO catalyzed C−H olefination is proposed. These findings suggest that the search for such Pd‐based bimetallic alloy nanoparticles is a new method towards the development of superior recyclable catalysts for direct aryl C−H functionalization under mild conditions.
DNA Microcapsule for Photo‐Triggered Drug Release Systems
Authors: Kamiya Yukiko , Yamada Yoshinobu , Muro Takahiro , Matsuura Kazunori , Asanuma Hiroyuki
Published: September 2017

In this study we constructed spherical photo‐responsive microcapsules composed of three photo‐switchable DNA strands. These strands first formed a three‐way junction (TWJ) motif that further self‐assembled to form microspheres through hybridization of the sticky‐end regions of each branch. To serve as the photo‐switch, multiple unmodified azobenzene (Azo) or 2,6‐dimethyl‐4‐(methylthio)azobenzene (SDM‐Azo) were introduced into the sticky‐end regions via a d‐threoninol linker. The DNA capsule structure deformed upon trans‐to‐cis isomerization of Azo or SDM‐Azo induced by specific light irradiation. In addition, photo‐triggered release of encapsulated small molecules from the DNA microcapsule was successfully achieved. Moreover, we demonstrated that photo‐triggered release of doxorubicin caused cytotoxicity to cultured cells. This biocompatible photo‐responsive microcapsule has potential application as a photo‐controlled drug‐release system.
Theta: Rapid installation and acceptance of an XC40 KNL system
Authors: Harms Kevin , Leggett Ti , Allen Ben , Coghlan Susan , Fahey Mark , Holohan Carissa , McPheeters Gordon , Rich Paul
Published: September 2017

In order to provide a stepping stone from the Argonne Leadership Computing Facility's (ALCF) world class production 10 petaFLOP IBM BlueGene/Q system, Mira, to its next generation 200 petaFLOPS 3rd generation Intel Xeon Phi system, Aurora, ALCF worked with Intel and Cray to acquire an 8.6 petaFLOPS 2nd generation Intel Xeon Phi–based system named Theta. Theta was delivered, installed, integrated, and accepted on an aggressive schedule in just over 3 months. We will detail how we were able to successfully meet the aggressive deadline as well as lessons learned during the process.
Application‐level regression testing framework using Jenkins
Authors: Budiardja Reuben , Bouvet Timothy , Arnold Galen
Published: September 2017

Monitoring and testing for regression of large‐scale systems such as the NCSA's Blue Waters supercomputer are challenging tasks. In this paper, we describe the solution we came up with to perform those tasks. Our goal was to find an automated solution for running user‐level regression tests to evaluate system usability and performance. Jenkins, an automation server software, was chosen for its versatility, large user base, and multitude of plugins including collecting data and plotting test results over time. We describe our Jenkins deployment to launch and monitor jobs on remote HPC system, perform authentication with one‐time password, and integrate with our LDAP server for its authorization. We show some use cases and describe our best practices for successfully using Jenkins as a user‐level system‐wide regression testing and monitoring framework for large supercomputer systems.
Detection of in utero cannabis exposure by umbilical cord analysis
Authors: Kim Jiyoung , de Castro Ana , Lendoiro Elena , Cruz‐Landeira Angelines , López‐Rivadulla Manuel , Concheiro Marta
Published: September 2017

According to the 2014 National Survey on Drug Use and Health, 5.3% of pregnant women smoked marijuana in the past month. This prevalence is expected to increase as a growing number of states and countries are now considering legalization. Although the umbilical cord is becoming a useful objective tool to detect in utero drug exposure, currently data about analytical methods and its utility to detect cannabis exposure are scarce. The objective of this work was to develop a method for the determination of Δ9‐tetrahydrocannabinol (THC), 11‐hydroxyTHC (THC‐OH), 11‐nor‐9‐carboxy‐THC (THCCOOH), 8‐β‐11‐dihydroxyTHC (THC‐diOH), THC and THCCOOH glucuronides, and cannabidiol (CBD) in the umbilical cord by liquid chromatography–tandem mass spectrometry (LC–MS/MS) with dual ionization source. Umbilical cord samples (0.5 g) were homogenized in methanol and extracted by solid‐phase extraction. Reversed‐phase chromatographic separation was performed in 14 minutes, and 2 transitions per analyte were monitored in multiple reaction monitoring mode. Method validation included linearity (1–10 to 20–200 ng/g), precision (4.1%–23.4%), accuracy (87.5%–111.4%), matrix effect (‐54.8% to ‐5.8%), extraction efficiency (25%–45.6%), limits of detection and quantification (1–10 ng/g), and endogenous (n = 5) or exogenous interferences (not detected). The method was applied to 13 authentic samples from cannabis‐exposed newborns, which meconium samples had tested positive for cannabis. Twelve cord specimens tested positive for THCCOOH‐glucuronide (1.6–19.1 ng/g). We developed and validated a specific and sensitive method for the simultaneous determination of THC, its metabolites, including THC and THCCOOH glucuronides, and CBD in umbilical cord samples by LC–MS/MS. The analysis of authentic samples showed the usefulness of umbilical cord to detect cannabis in utero exposure.
Close and distant: Contrasting the metabolism of two closely related subspecies of Scots pine under the effects of folivory and summer drought
Authors: Rivas‐Ubach Albert , Sardans Jordi , Hódar José Antonio , Garcia‐Porta Joan , Guenther Alex , Paša‐Tolić Ljiljana , Oravec Michal , Urban Otmar , Peñuelas Josep
Published: September 2017

Metabolomes, as chemical phenotypes of organisms, are likely not only shaped by the environment but also by common ancestry. If this is the case, we expect that closely related species of pines will tend to reach similar metabolomic solutions to the same environmental stressors. We examined the metabolomes of two sympatric subspecies of Pinus sylvestris in Sierra Nevada (southern Iberian Peninsula), in summer and winter and exposed to folivory by the pine processionary moth. The overall metabolomes differed between the subspecies but both tended to respond more similarly to folivory. The metabolomes of the subspecies were more dissimilar in summer than in winter, and iberica trees had higher concentrations of metabolites directly related to drought stress. Our results are consistent with the notion that certain plant metabolic responses associated with folivory have been phylogenetically conserved. The larger divergence between subspecies metabolomes in summer is likely due to the warmer and drier conditions that the northern iberica subspecies experience in Sierra Nevada. Our results provide crucial insights into how iberica populations would respond to the predicted conditions of climate change under an increased defoliation in the Mediterranean Basin.
Seasonal variation in daily patterns of social contacts in the European badger Meles meles
Authors: Silk Matthew J. , Weber Nicola , Steward Lucy C. , Delahay Richard J. , Croft Darren P. , Hodgson David J. , Boots Mike , McDonald Robbie A.
Published: September 2017

Social interactions among hosts influence the persistence and spread of infectious pathogens. Daily and seasonal variation in the frequency and type of social interactions will play an important role in disease epidemiology and, alongside other factors, may have an influence on wider disease dynamics by causing seasonal forcing of infection, especially if the seasonal variation experienced by a population is considerable. We explored temporal variation in within‐group contacts in a high‐density population of European badgers Meles meles naturally infected with Mycobacterium bovis (the causative agent of bovine tuberculosis). Summer contacts were more likely and of longer duration during the daytime, while the frequency and duration of winter contacts did not differ between day and night. In spring and autumn, within‐group contacts peaked at dawn and dusk, corresponding with when they were of shortest duration with reduced potential for aerosol transmission of pathogens. Summer and winter could be critical for transmission of M. bovis in badgers, due to the high frequency and duration of contacts during resting periods, and we discuss the links between this result and empirical disease data. This study reveals clear seasonality in daily patterns of contact frequency and duration in species living in stable social groups, suggesting that changes in social contacts could drive seasonal forcing of infection in wildlife populations even when the number of individuals interacting remains similar.
Unexpected mosaic distribution of two hybridizing sibling lineages in the teleplanically dispersing snail Stramonita haemastoma suggests unusual postglacial redistribution or cryptic invasion
Authors: El Ayari Tahani , Trigui El Menif Najoua , Saavedra Carlos , Cordero David , Viard Frédérique , Bierne Nicolas
Published: September 2017

Molecular approaches have proven efficient to identify cryptic lineages within single taxonomic entities. Sometimes these cryptic lineages maybe previously unreported or unknown invasive taxa. The genetic structure of the marine gastropod Stramonita haemastoma has been examined in the Western Mediterranean and North‐Eastern Atlantic populations with mtDNA COI sequences and three newly developed microsatellite markers. We identified two cryptic lineages, differentially fixed for alternative mtDNA COI haplogroups and significantly differentiated at microsatellite loci. The mosaic distribution of the two lineages is unusual for a warm‐temperate marine invertebrate with a teleplanic larval stage. The Atlantic lineage was unexpectedly observed as a patch enclosed in the north of the Western Mediterranean Sea between eastern Spain and the French Riviera, and the Mediterranean lineage was found in Macronesian Islands. Although cyto‐nuclear disequilibrium is globally maintained, asymmetric introgression occurs in the Spanish region where the two lineages co‐occur in a hybrid zone. A first interpretation of our results is mito‐nuclear discordance in a stable postglacial hybrid zone. Under this hypothesis, though, the location of genetic discontinuities would be unusual among planktonic dispersers. An alternative interpretation is that the Atlantic lineage, also found in Senegal and Venezuela, has been introduced by human activities in the Mediterranean area and is introgressing Mediterranean genes during its propagation, as theoretically expected. This second hypothesis would add an additional example to the growing list of cryptic marine invasions revealed by molecular studies.
Microsite and elevation zone effects on seed pilferage, germination, and seedling survival during early whitebark pine recruitment
Authors: Pansing Elizabeth R. , Tomback Diana F. , Wunder Michael B. , French Joshua P. , Wagner Aaron C.
Published: September 2017

Tree recruitment is a spatially structured process that may undergo change over time because of variation in postdispersal processes. We examined seed pilferage, seed germination, and seedling survival in whitebark pine to determine whether 1) microsite type alters the initial spatial pattern of seed caches, 2) higher abiotic stress (i.e. higher elevations) exacerbates spatial distribution changes, and 3) these postdispersal processes are spatially clustered. At two study areas, we created a seed distribution pattern by burying seed caches in microsite types frequently used by whitebark pine's avian seed disperser (Clark's nutcracker) in upper subalpine forest and at treeline, the latter characterized by high abiotic environmental stress. We monitored caches for two years for pilferage, germination, and seedling survival. Odds of pilferage (both study areas), germination (northern study area), and survival (southern study area) were higher at treeline relative to subalpine forest. At the southern study area, we found higher odds of 1) pilferage near rocks and trees relative to no object in subalpine forest, 2) germination near rocks relative to trees within both elevation zones, and 3) seedling survival near rocks and trees relative to no object at treeline. No microsite effects were detected at the northern study area. Findings indicated that the microsite distribution of seed caches changes with seed/seedling stage. Higher odds of seedling survival near rocks and trees were observed at treeline, suggesting abiotic stress may limit safe site availability, thereby shifting the spatial distribution toward protective microsites. Higher odds of pilferage at treeline, however, suggest rodents may limit treeline recruitment. Further, odds of pilferage were higher near rocks and trees relative to no object in subalpine forest but did not differ among microsites at treeline, suggesting pilferage can modulate the spatial structure of regeneration, a finding supported by limited clustering of postdispersal processes.
Effect of pollen and resource limitation on reproduction of Zygophyllum xanthoxylum in fragmented habitats
Authors: Chen Min , Zhao Xue‐Yong
Published: September 2017

Limitations on pollen and resources may significantly affect plant reproduction in fragmented habitats. In this study, phenology and pollinator frequency and activity were investigated to estimate the role of pollinators in Zygophyllum xanthoxylum reproduction, and this species is ecologically important in northwest China. In addition, the relative impact of restrictive amounts of pollen and resources on the seed set per flower was evaluated. It was found that adding pollen boosted the size of the seed set per flower, but had no significant effect on the number of flowers. By contrast, the addition of resources increased flower numbers as well as had a slight impact on the seed set per flower. These results indicate the amount of available pollen is a limiting factor for reproductive success. Moreover, Apis mellifera was identified as the most effective pollinator of Z. xanthoxylum, and there were more overall pollinators and visitations in the control than in the fragmented habitats. Furthermore, the limitations in pollen were more restrictive in the fragmented area than in the control. This was due to increased pollinator visitations in the control that could ameliorate the effects of lower pollen levels. When there is a limited availability of suitable pollinators, self‐pollination is critical in fragmented habitats. Z. xanthoxylum has reproductive strategies that aid in adapting to harsh environments, including protogyny and delayed selfing.
Effect of expanding evidence and evolving clinical guidelines on the prevalence of indication for cardiac resynchronization therapy in patients with heart failure
Authors: Lund Lars H. , Svennblad Bodil , Dahlström Ulf , Ståhlberg Marcus
Published: September 2017

Aims

To assess the prevalence of indication for cardiac resynchronization therapy (CRT) in patients with heart failure (HF) and reduced ejection fraction (EF) when recommendations from evolving European Society of Cardiology (ESC) guidelines are considered.

Methods and results

Unique patients (n=17 193) with EF ≤39% and key data available for evaluation of CRT indication from the Swedish HF Registry were included. Indication for CRT was defined as either CRT implanted or CRT device absent but fulfilling criteria for class I–IIa recommendations in ESC guidelines published between 2005/2007 and 2016. Prevalence was calculated as the ratio of patients with CRT indication to the study population. The prevalence of CRT indication increased from 24.5% when the 2005/2007 ESC guidelines were considered to a peak of 30.0% when the 2013 ESC guidelines were considered (P<0.001, 22.4% relative increase). Compared to the 2013 ESC guidelines, the prevalence declined significantly when the 2016 ESC guidelines were used as determinant for CRT indication (26.8%, 10.7% relative reduction, P<0.001). Actual CRT utilization was 6.8%.

Conclusion

Among patients with HF and reduced EF, the prevalence of CRT indication increased significantly comparing recommendations from ESC guidelines published between 2005/2007 and 2013, but then declined when the 2016 ESC guidelines were considered. The 2005–2013 increase may reflect the expansion of documented CRT efficacy to New York Heart Association class II, whereas the subsequent drop likely results from the more stringent criteria for QRS duration in the 2016 ESC guidelines. Actual CRT utilization is lower than indicated, regardless of which guidelines are considered.