bluuebunny/crossref_metadata_2025_split huggingface dataset:
In Situ Tracking of Dynamic NO Capture through a Crystal‐to‐Crystal Transformation from a Gate‐Open‐Type Chain Porous Coordination Polymer to a NO‐Adducted Discrete Isomer
Authors: Zhang Jun , Kosaka Wataru , Kitagawa Susumu , Takata Masaki , Miyasaka Hitoshi 
Published: January 2019

AbstractOptimal control of gas adsorption properties in metal–organic frameworks (MOFs) or porous coordination polymers (PCPs) remains a great challenge in the field of materials science. An efficient strategy to capture electron‐acceptor‐type gas molecules such as nitrogen monooxide (NO) is to use host–guest interactions by utilizing electron‐donor‐type MOFs/PCPs as host frameworks. Herein, we focus on a highly electron‐donating chain compound by using the paddlewheel‐type [Ru2II,II] complex [Ru2(2,4,5‐Me3PhCO2)4] (2,4,5‐Me3PhCO2−=2,4,5‐trimethylbenzoate) with the phenazine (phz) linker: [Ru2(2,4,5‐Me3PhCO2)4(phz)] (1). Compound 1 exhibited a specific gated adsorption for NO under gas pressures greater than 60 kPa at 121 K, which finally resulted in approximately seven molar equivalents being taken up at 100 kPa followed by four molar equivalents remaining under vacuum at 121 K; its Rh isomorph (2) with weaker donation ability was inactive for NO. When the sample of 1⊃4 NO was heated to room temperature, the compound underwent a crystal‐to‐crystal phase transition to give [Ru2(2,4,5‐Me3PhCO2)4(NO)2](phz) (1‐NO), involving a post‐synthetic nitrosylation on the [Ru2] unit, accompanied by an eventful site‐exchange with phz. This drastic event, which is dependent on the NO pressure, temperature, and time, was coherently monitored by using several different in situ techniques, revealing that the stabilization of NO molecules in nanosized pores dynamically and stepwisely occurred with the support of strong electronic/magnetic host–guest interactions.
TiO2 Nanocoral Structures as Versatile Substrates for Surface‐Assisted Laser Desorption/Ionization Mass Spectrometry
Authors: Nakamura Yoshihiro , Soejima Tetsuro 
Published: January 2019

AbstractMatrix‐free surface‐assisted laser desorption/ionization (SALDI) is a powerful technique for rapidly analyzing a myriad of compounds including biomolecules and polymers. However, previous studies were limited to detecting natural/organic‐based molecules. Biphasic TiO2 nanocoral (TNC) structures consisting of an anatase base film and a rutile nanocoral layer allow analysis of not only organic compounds and polymers but also inorganic clusters by SALDI mass spectrometry (MS). TNC structures with microscopic surface roughness and porosity, which are indispensable for efficient desorption/ionization (D/I) in SALDI, form on Si wafers immersed in aqueous TiOSO4‐H2O2 at 80 °C. Various organic and biological molecules with a wide range of molecular weights such as amino acids, hormones, antioxidants, steroids, organic dyes, sugars, drugs, proteins, and polymers are successfully analyzed by using TNC substrates in SALDI‐MS. After SALDI‐MS, the TNC substrates can be reused for detecting water‐soluble molecules. TNC substrates also allow efficient detection of polyoxometalates and gold clusters as representative inorganic clusters. Survival yield measurements are employed to investigate the D/I mechanism of TNC substrates, and these indicate that the rutile nanocoral layer plays a critical role in ensuring efficient D/I. TNC as a versatile substrate for SALDI‐MS is a potentially important analysis tool in a wide range of chemical and biological fields.
First‐Principles Simulations for Morphology and Structural Evolutions of Catalysts in Oxygen Evolution Reaction
Authors: Li Ye‐Fei 
Published: January 2019

AbstractDeveloping a robust catalyst for the oxygen evolution reaction is the major challenge in the field of renewable energy. The difficulty comes from not only the low intrinsic activity, but also the structural uncertainty of catalysts under the operating conditions. Therefore, finding the relationship between structural evolution and the OER activity is urgently required. At present, first‐principles simulations have become a powerful tool to understand the mechanism of the OER at the atomic level. In this review, TiO2, MnOx, and CoS2 are used as examples to demonstrate how first‐principles calculations can predict the morphology of nanoparticles, explore the pathway of electrochemically induced phase transition, and resolve the structure of a heterojunction. With these new theoretical techniques, the structure–activity relationship of the OER for a complex catalytic system can be determined without experimental inputs. Such a bottom‐up strategy holds great promise to reveal the active site and mechanism of a complex catalytic system from first‐principles calculations.
Six‐year follow‐up study on the association between white blood cell count and fasting blood glucose level in Chinese adults: A community‐based health examination survey
Authors: Zang Xiu , Meng Xiangyu , Wang Yun , Jin Xiao , Wu Tingting , Liu Xuekui , Geng Houfa , Xu Wei , Wang Yu , Teng Fei , Qiu Qinqin , Yang Manqing , Liang Jun 
Published: January 2019

AbstractBackgroundPre‐diabetes is considered to be an important reversible stage of type 2 diabetes (T2DM); thus, early identification of pre‐diabetes may help in the prevention of T2DM. This study aimed to explore the relationship between white blood cell (WBC) counts and the cumulative risk of impaired fasting glucose (IFG) regulation at 6 years.MethodsA community‐based health examination survey was conducted among individuals who were randomly selected from 1300 residents living in China in 2010 to 2016. The participants were divided into four groups according to WBC baseline level. This study initially conducted a cross‐sectional analysis of the population who underwent physical examination to explore the relationship between WBC count and FBG levels. Then, a follow‐up study was conducted on the population who underwent IFG normal physical examination to explore the relationship between baseline WBC count and changes in FBG levels and the cumulative risk of 6‐year IFG.ResultsDuring the 6‐year cohort follow‐up, 17.2% of the participants developed IFG, and the cumulative incidence rates of IFG in the four groups were 14.7%, 16.3%, 15.8%, and 22.2%. By Cox multiple regression equation the hazard ratio (HR) of the IFG increased by 18.7% for each additional unit of baseline WBC count with no adjustment of any factor. After adjusting factors, HR increased by 8.4%.ConclusionIncreased WBC counts are associated with risk of IFG, suggesting chronic inflammation may be involved in the development and progression of IFG.
Pharmacokinetics of selegiline, R‐methamphetamine, R‐amphetamine, and desmethylselegiline in oral fluid after a single oral administration of selegiline
Authors: Chen Lizhu , Shen Baohua , Wang Songtao , Yu Yingjia , Yan Hui , Shi Yan , Duan Gengli , Xiang Ping 
Published: January 2019

AbstractBackgroundChiral analysis is a crucial way to differentiate selegiline (SG) intake from drug abuse. Oral fluid (OF) has been successfully used as an alternative matrix for blood testing in several pharmacokinetic studies.ObjectiveThe aim of this study is to describe the pharmacokinetics of SG and its main metabolites in OF after a single oral administration of SG which is meaningful for results interpretation in forensic analysis.MethodsTen milligrams of SG were orally administered to 8 volunteers, and OF samples were collected for up to 96 hours by having participants spit into polypropylene tubes without stimulation. These samples were submitted to liquid–liquid extraction before analysis by liquid chromatography–tandem mass spectrometry operating in positive ion multiple‐reaction monitoring mode.Results and conclusionsAfter oral administration, each analyte could be detected in OF specimens from all volunteers with an initial detection time of 0.50 hours. The Cmax values of SG, R‐MA, R‐AM and DM‐SG were 50.93–992.67 ng/mL, 29.78–653.64 ng/mL, 8.22–150.15 ng/mL, and 4.34–16.25 ng/mL, respectively, at 0.5 hours, 1–11 hours, 1.5–11 hours, and 0.5–6 hours post dose. The times when the compounds were last determined in OF were 5–24 hours for SG, 52–96 hours for R‐MA, 31–96 hours for R‐AM, and 13–31 hours for DM‐SG after oral administration. There is a period of time in OF in which only MA and AM are present without SG and DM‐SG after a single dose of SG. The pharmacokinetic data could provide supplementary interpretation for OF tests in forensic science and drug treatment programs.
Landscape controls on the distribution and ecohydrology of central Oregon springs
Authors: Freed Zach , Aldous Allison , Gannett Marshall W. 
Published: January 2019

AbstractSmall springs in semiarid landscapes are essential for maintaining aquatic biodiversity and supporting livestock grazing operations. However, little is known about controls on the distribution and physical characteristics of small springs, the aquatic species they support, or their sensitivity to disturbance. We address this information gap in the Crooked River subbasin, a tributary of the Deschutes River in Oregon. We conducted spatial analyses on 2,519 mapped springs to investigate the influence of landscape controls (precipitation and bedrock permeability) on spring density in the Crooked River subbasin and the adjacent Upper Deschutes subbasin. Spring density was highest in areas of low bedrock permeability (P < 0.0001) and high annual precipitation (P < 0.0001). We suggest that the high density of small springs on low‐permeability bedrock indicates that these springs generally have short, shallow flow paths and thus may be susceptible to forecasted climate changes. A survey of 137 springs in the Crooked River subbasin revealed the hydrogeologic setting affects spring discharge type (P = 0.017), temperature (P = 0.011), and pH (P = 0.026). We found a high frequency of anthropogenic impacts on springs: 95% of diffuse‐discharge springs and 79% of discrete‐discharge springs were disturbed by livestock grazing. Species inventories at 10 of the most intact surveyed springs confirm that small springs are biologically diverse, with 151 total species of plants and 135 total taxa of macroinvertebrates. Springs in the Crooked River subbasin are ecologically important habitats but require careful management to protect against livestock disturbance and development.
Application of deep convolutional neural networks in classification of protein subcellular localization with microscopy images
Authors: Xiao Mengli , Shen Xiaotong , Pan Wei 
Published: January 2019

AbstractSingle‐cell microscopy image analysis has proved invaluable in protein subcellular localization for inferring gene/protein function. Fluorescent‐tagged proteins across cellular compartments are tracked and imaged in response to genetic or environmental perturbations. With a large number of images generated by high‐content microscopy while manual labeling is both labor‐intensive and error‐prone, machine learning offers a viable alternative for automatic labeling of subcellular localizations. Contrarily, in recent years applications of deep learning methods to large datasets in natural images and other domains have become quite successful. An appeal of deep learning methods is that they can learn salient features from complicated data with little data preprocessing. For such purposes, we applied several representative types of deep convolutional neural networks (CNNs) and two popular ensemble methods, random forests and gradient boosting, to predict protein subcellular localization with a moderately large cell image data set. We show a consistently better predictive performance of CNNs over the two ensemble methods. We also demonstrate the use of CNNs for feature extraction. In the end, we share our computer code and pretrained models to facilitate CNN's applications in genetics and computational biology.
Cetuximab‐associated pulmonary toxicity in concurrent chemoradiation for the treatment of a squamous cell carcinoma of the head and neck
Authors: Mayfield John D. , Mercado Catherine E. , Kaye Frederic J. , Mendenhall William M. 
Published: January 2019

AbstractBackgroundCetuximab is a common EGFR monoclonal antibody used with radiotherapy to treat head‐and‐neck cancer. Severe pulmonary toxicity, including interstitial lung disease (ILD), caused by cetuximab is rare.MethodsWe describe a patient who developed ILD and acute respiratory failure after concurrent chemoradiation with cetuximab for oropharyngeal squamous cell carcinoma, and review the literature.ResultsA patient developed acute respiratory failure 2 months after starting concurrent chemoradiation with cetuximab and was hospitalized in intensive care after a procedure for progressive respiratory distress. Cultures and serology were negative for infection and radiologic findings were consistent with drug associated pneumonitits. Steroids were administered until the patient was stabilized. The patient fully recovered 1 month after the onset of respiratory distress, although he died of recurrent disease 10 months after completing treatment.ConclusionAlthough severe pulmonary toxicity caused by EGFR inhibitors has been well described in the literature, ILD caused by cetuximab, an EGFR monoclonal antibody, is rare and not well‐documented. Given its life‐threatening effects, awareness of this potential side effect and early diagnosis is critical.
Should I stay or should I go? A latent threshold approach to large‐scale mixture innovation models
Authors: Huber Florian , Kastner Gregor , Feldkircher Martin 
Published: January 2019

SummaryWe propose a straightforward algorithm to estimate large Bayesian time‐varying parameter vector autoregressions with mixture innovation components for each coefficient in the system. The computational burden becomes manageable by approximating the mixture indicators driving the time‐variation in the coefficients with a latent threshold process that depends on the absolute size of the shocks. Two applications illustrate the merits of our approach. First, we forecast the US term structure of interest rates and demonstrate forecast gains relative to benchmark models. Second, we apply our approach to US macroeconomic data and find significant evidence for time‐varying effects of a monetary policy tightening.
Estimation of linear dynamic panel data models with time‐invariant regressors
Authors: Kripfganz Sebastian , Schwarz Claudia 
Published: January 2019

SummaryWe present a sequential approach to estimating a dynamic Hausman–Taylor model. We first estimate the coefficients of the time‐varying regressors and subsequently regress the first‐stage residuals on the time‐invariant regressors. In comparison to estimating all coefficients simultaneously, this two‐stage procedure is more robust against model misspecification, allows for a flexible choice of the first‐stage estimator, and enables simple testing of the overidentifying restrictions. For correct inference, we derive analytical standard error adjustments. We evaluate the finite‐sample properties with Monte Carlo simulations and apply the approach to a dynamic gravity equation for US outward foreign direct investment.
Ethnic capital and intergenerational transmission of educational attainment
Authors: Postepska Agnieszka 
Published: January 2019

SummaryThis paper studies the role of ethnicity in the intergenerational transmission of educational attainment within the framework outlined by Borjas (Quarterly Journal of Economics, 1992, 107(1), 123–150). Relying on heteroskedasticity to identify parameters in the presence of endogenous regressors, I find evidence that the ordinary least squares estimates of the effect of ethnic capital on intergenerational transmission of education are biased upwards due to the transfer of unobserved ability. I also find that, while the role of parental capital has declined over time, ethnic capital has a relatively constant effect on intergenerational transmission of educational attainment.
NMDA receptor‐driven calcium influx promotes ischemic human cardiomyocyte apoptosis through a p38 MAPK‐mediated mechanism
Authors: Liu Zi‐You , Zhong Qin‐Wen , Tian Cheng‐Nan , Ma Hou Mou , Yu Jun‐Jian , Hu Shuo 
Published: January 2019

AbstractN‐methyl‐D‐aspartate receptor (NMDAR) activity plays a key role in cerebral ischemia. Although NMDAR is also expressed in cardiomyocytes, little research has been performed on NMDAR activity in myocardial ischemia. Here, using an in vitro oxygen‐glucose deprivation (OGD) cardiomyocyte model, we evaluated the effects of NMDAR activity upon calcium influx, viability, apoptosis, and investigated the roles of several key mitogen‐activated protein kinases (MAPKs). Primary human neonatal cardiomyocytes were cultured under OGD conditions to mimic in vivo ischemic conditions. Enhancing NMDAR activity via NMDA significantly promoted calcium influx, decreased cell viability, increased apoptosis, and enhanced p38 MAPK phosphorylation in OGD cardiomyocytes (all P < 0.05). These effects were rescued by several calcium‐channel blockers (ie, MK‐801, La3+, Gap26 peptide, 18β‐glycyrrhetinic acid) but most potently rescued via the NMDAR‐specific antagonist MK‐801 or removal of extracellular free calcium (all P < 0.05). Knocking‐down p38 MAPK activity by small‐molecule inhibition or genetic methods significantly increased cell viability and reduced apoptosis (all P < 0.05). Enhancing p38 MAPK activity abolished MK‐801′s apoptosis‐reducing effects in a p38 MAPK‐dependent manner. In conclusion, NMDAR‐driven calcium influx promotes apoptosis in ischemic human cardiomyocytes, an effect which can be attributed to enhanced p38 MAPK activity.
Inhibition of the PI3K/Akt signaling pathway impedes the restoration of neurological function following hypoxic‐ischemic brain damage in a neonatal rabbit model
Authors: Luo Zhihua , Zhang Min , Niu Xia , Wu De , Tang Jiulai 
Published: January 2019

AbstractObjectiveHypoxic‐ischemic brain damage (HIBD), frequently occurring in infancy and childhood, is a major cause of mortality and severe neurologic impairment. This study was performed to examine the effect of the PI3K/Akt signaling pathway on HIBD in a neonatal rabbit model.Materials and MethodsUterine artery occlusion was used to establish HIBD models in neonatal rabbits, which were then subjected to sham operation, dimethyl sulfoxide (2 mL) or LY294002 (inhibitor of PI3K/Akt signaling pathway, 6.4 μg/kg). Behavioral neurological assessment was performed in neonatal rabbits delivered by cesarean section, after which serum neuron‐specific enolase (NSE) level and cerebral water content were determined. The level of cleaved caspase‐3 level and apoptosis of neurons were observed by immunohistochemistry and terminal deoxynucleotidyl transferase‐mediated dUTP nick‐end labeling (TUNEL) staining. Furthermore, the expression of PI3K/Akt signaling pathway‐ and apoptosis‐related factors was examined.ResultsIn neonatal rabbits, HIBD increased the fetal death rate; reduced neurological scores of posture, righting reflex, and deglutition reflex; elevated serum NSE levels, cerebral water content, cleaved caspase‐3‐positive expression in hippocampal CA1 region and apoptotic neurons; inactivated PI3K/Akt signaling pathway as well as reduced Bcl‐2 expression and increased BAD and Bax expression. Notably, the treatment of LY294002 further aggravated neurological impairment in neonatal rabbits in response to HIBD.ConclusionFollowing the HIBD caused by intrauterine asphyxia, the LY294002 administered through auricular vein infusion into pregnant rabbits exacerbates neurological impairment of neonatal rabbits, suggesting that inhibition of PI3K/Akt signaling pathway may serve as a candidate therapeutic target for neurological recovery.
Circular RNA microarray expression profile in 3,4‐benzopyrene/angiotensin II‐induced abdominal aortic aneurysm in mice
Authors: Wang Jiaoni , Sun Huankun , Zhou Yingying , Huang Kaiyu , Que Jiaqun , Peng Yangpei , Wang Jinsheng , Lin Cong , Xue Yangjing , Ji Kangting 
Published: January 2019

AbstractAbdominal aortic aneurysm (AAA) is an unpredictable but lethal disease that poses a therapeutic dilemma. Circular RNAs (circRNAs), whose functional roles as transcriptional regulators and microRNA (miRNA) sponges have been shown in former studies, are potential biomarkers for many diseases. AAA in male C57BL/6 J mice was induced by coadministration of angiotensin II (Ang II) and 3,4‐benzopyrene (BaP). The circRNA expression profiling was performed using two samples from the control group and two samples from the AAA group. Quantitative real‐time polymerase chain reaction (qRT‐PCR) was used to confirm the reliability of the microarray results. Among the 14 236 detected circRNAs, 413 showed obvious expression changes (fold change ≥ 2; P < 0.05) between the BaP/Ang II‐induced AAA group and control group. Of the 413 that showed significant changes, 271 were upregulated, while the other 142 were downregulated. The expression levels of 10 circRNAs were validated by qRT‐PCR. The interactions of the differentially expressed circRNAs with miRNAs were predicted. Immunofluorescence showed prominent vascular smooth muscle cell apoptosis in abdominal aortic tissues in the BaP/Ang II group. Furthermore, a circRNA‐miRNA coexpression network based on six apoptosis‐related circRNAs was built. The genes regulated by the network mapped to several pathways, including apoptosis, the IL‐17 signaling pathway, and vascular endothelial growth factor signaling pathway, all of which are related to AAA formation. This study performed circRNA expression profiling in AAA and the results specifically predicted the regulatory role of circRNAs in AAA pathogenesis.
RETRACTED: Long noncoding RNA LEF1‐AS1 silencing suppresses the initiation and development of prostate cancer by acting as a molecular sponge of miR‐330‐5p via LEF1 repression
Authors: Liu Da‐Chuang , Song Lin‐Lin , Liang Qing , Hao Lin , Zhang Zhi‐Guo , Han Cong‐Hui 
Published: January 2019

AbstractProstate cancer (PCa) is one of the major cancers affecting males with high mortality around the world. Recent studies have found that some long noncoding RNAs play a critical part in the cellular processes of PCa. In our study, aberrant expressed lymphoid enhancer‐binding factor‐1 antisense RNA 1 (LEF1‐AS1), microRNA‐330‐5p (miR‐330‐5p), and lymphoid enhancer‐binding factor‐1 (LEF1) were screened out from a microarray database, the role of the novel noncoding RNA regulatory circuitry in the initiation and development of PCa was investigated. LEF1‐AS1 and LEF1 were highly expressed while miR‐330‐5p was poorly expressed in PCa. Following that, the PCa PC‐3 cell line was adopted for subsequently experiments, in which the expression of LEF1‐AS1 and miR‐330‐5p was subsequently altered by means of exogenous transfection. After that, the effects of up‐ or downregulation of LEF1‐AS1 and miR‐330‐5p on epithelial–mesenchymal transition (EMT) and the cell ability for proliferation, invasion, migration in vitro, and tumorigenesis and lymph node metastasis (LNM) in vivo were evaluated. RNA crosstalk revealed that LEF1‐AS1 bound to miR‐330‐5p and LEF1 was the target gene of miR‐330‐5p. Silenced LEF1‐AS1 or elevated miR‐330‐5p exhibited inhibited EMT processes, reduced ability of proliferation, invasion and migration, coupling with decreased tumorigenesis and LNM in nude mice. The key findings of this study collectively propose downregulation of LEF1‐AS1 competing with miR‐330‐5p to inhibit EMT, invasion and migration of PCa by LEF1 repression.