bluuebunny/crossref_metadata_2025_split huggingface dataset:
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

ObjectiveWe estimated the economic impact of arthritis using 2013 US Medical Expenditure Panel Survey (MEPS) data.MethodsWe 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.ResultsIn 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).ConclusionTotal 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

AbstractOrganometal 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

AbstractFiber‐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

AbstractMetal 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.
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

AbstractA 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

AbstractAs 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

AbstractThe 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

AbstractA 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.
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

AbstractThe 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 MessageIn 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

AbstractThe 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

AbstractAmong 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

AbstractThe 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

AbstractIn 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

SummaryIn 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

SummaryMonitoring 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

AbstractAccording 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.