bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis, G‐Quadruplex Stabilisation, Docking Studies, and Effect on Cancer Cells of Indolo[3,2‐b]quinolines with One, Two, or Three Basic Side Chains
Authors: Lavrado João , Borralho Pedro M. , Ohnmacht Stephan A. , Castro Rui E. , Rodrigues Cecília M. P. , Moreira Rui , Santos Daniel J. V. A. dos , Neidle Stephen , Paulo Alexandra 
Published: August 2013

AbstractG‐quadruplex (G4) DNA structures in telomeres and oncogenic promoter regions are potential targets for cancer therapy, and G4 ligands have been shown to modulate telomerase activity and oncogene transcription. Herein we report the synthesis and G4 thermal stabilisation effects, determined by FRET melting assays, of 20 indolo[3,2‐b]quinolines mono‐, di‐, and trisubstituted with basic side chains. Molecular modelling studies were also performed in an attempt to rationalise the ligands′ binding poses with G4. Overall, the results suggest that ligand binding and G4 DNA thermal stabilisation increase with an N5‐methyl or a 7‐carboxylate group and propylamine side chains, whereas selectivity between G4 and duplex DNA appears to be modulated by the number and relative position of basic side chains. From all the indoloquinoline derivatives studied, the novel trisubstituted compounds 3 d and 4 d, bearing a 7‐(aminoalkyl)carboxylate side chain, stand out as the most promising compounds; they show high G4 thermal stabilisation (ΔTm values between 17 and 8 °C) with an inter‐G4 ΔTm trend of Hsp90A>KRas21R≈F21T>c‐Kit2, 10‐fold selectivity for G4 over duplex DNA, and 100‐fold selectivity for the HCT116 cancer cell line (IC50 and IC90: <10 μM) over primary rat hepatocytes. Compounds 3 d and 4 d also decreased protein expression levels of Hsp90 and KRas in HCT116 cancer cells.
Highly Efficient Graphene‐Based Ternary Composite Catalyst with Polydopamine Layer and Copper Nanoparticles
Authors: Hu Hua‐Wen , Xin John H. , Hu Hong 
Published: August 2013

AbstractA synergistically integrated graphene‐based ternary composite (rG‐Cu) consisting of uniform natural polydopamine (Pdop)‐functionalized graphene sheets (Dop‐rG) and well‐dispersed Cu nanoparticles (NPs) has been developed. By a one‐step reduction and modification of graphene oxide with dopamine, water‐dispersible Dop‐rG was first prepared. Cu NPs were then incorporated homogeneously onto Dop‐rG by a simple solution route leading to activated rG‐Cu, which showed an ultrahigh catalytic activity and good reusability for catalytic reductions of different types of dyes, including methylene blue and azo‐based acid and reactive dyes. It took only 30 s for complete reduction of methylene blue. In addition to the main action of the catalytically active component of the well‐dispersed Cu NPs, the uniform adhesive Pdop layer and graphene base with large surface area and superior electron‐transfer capacity are also believed to assist synergistically the catalytic reduction. The work has opened up a new avenue for synthesis of a graphene‐based ternary composite with extraordinary catalytic activity for practical applications in addressing environmental protection issues.
Dualism of Ion‐Pairing Effects in Nucleophilic Vinylic Substitution with Transition‐Metal Carbonyl Anions
Authors: Sazonov Petr K. , Beletskaya Irina P. 
Published: August 2013

AbstractIon pairing with cations has a marked but nonuniform effect on the chemistry of carbonylmetalate anions and can either inhibit or facilitate their reactions. A study of the effect of cation‐solvating agents ([18]crown‐6, hexamethylphosphoramide) on the reactions of carbonylmetalates [Na(K)][M(CO)nL] with vinyl halides activated with strong electron‐withdrawing groups, which at the same time could serve as hard donor centers for sodium or potassium cations is presented. The addition of a cation‐solvating agent to the solution in THF produced a sharp drop in the rate of the reactions of Na[Re(CO)5] or K[Mn(CO)5] with the vinyl chlorides studied; the effect (kobs(THF)/kobs(THF+[18]crown‐6)) increased along the series: PhCClC(CN)2 (4)<(Z)‐PhC(CN)CHCl (17)<PhCClC(CO2Et)2 (80)<(E)‐ClCHCHCO2Me (200). This strong cation assistance is contrasted by “normal” effects observed for the reaction of K[Mn(CO)5] with 1‐chloro‐2‐methyl perfluorocyclopentene, accelerated by [2.2.2]cryptand, as well as for the other fluorine‐activated vinyl halides studied previously. The characteristic increase in cation assistance effect in the order CO2R>CN≫CF allows us to explain assistance from cation coordination to the donor centers in these groups, which stabilizes the transition state. The effect of ion pairing is also dependent on the leaving group in the vinyl halide, almost disappearing for (Z)‐PhC(CN)CHBr, with only minor cation assistance observed for (E)‐PhCOCHCHI. This prompted us to examine the effect of the leaving group in the reactions of carbonylmetalates with Z and E isomers of Ph(CN)CCHHal (Hal=I, Br, Cl, or F).
Functionalized Porphyrins as Red Fluorescent Probes for Metal Cations: Spectroscopic, MALDI‐TOF Spectrometry, and Doped‐Polymer Studies
Authors: Moura Nuno M. M. , Nuñez Cristina , Santos Sérgio M. , Faustino M. Amparo F. , Cavaleiro José A. S. , Neves M. Graça P. M. S. , Capelo José Luis , Lodeiro Carlos 
Published: August 2013

AbstractThe sensing ability of benzoporphyrins1–5and porphyrin‐2‐ylpyridines6–10towards different metal ions Na+, K+, Ca2+, Mg2+, Pb2+, Cu2+, Ni2+, Zn2+, Cd2+, Hg2+, and Cr3+was explored in solution by absorption and fluorescence spectroscopy. Strong changes in the ground and excited state were detected only in the case of the soft metal ions Zn2+, Cd2+, Hg2+, and Cu2+. A one metal per ligand molar ratio was obtained in all cases for compounds 1–5. In addition, a remarkable increase of the emission intensity for1–5was observed in the presence of Hg2+. In this series the highest association constant was obtained for compound 1(log Kass=(8.71±4.81)×10−3), which was able to quantify 32 ppb of Hg2+. For compounds 6–10containing an additional pyridine unit, a metal‐to‐ligand stoichiometry of 1:2 was determined. The gas‐phase detection abilities of compounds 1–10using MALDI‐TOF‐MS spectrometry confirmed that their sensorial ability and theoretical calculations are in accordance with the stoichiometry observed. Our preliminary studies show that some of the compounds supported in polymethylmethacrylate (PMMA) films can be used as promising metal‐ion solid chemosensors; it was found that compound1in PMMA is able to distinguish between Zn2+and Hg2+in the solid phase.
Evidence for an Intermediate in the Methylation of CB11H12−with Methyl Triflate: Comparison of Electrophilic Substitution in Cage Boranes and in Arenes
Authors: Kaleta Jiří , Akdag Akin , Crespo Raül , Piqueras Mari‐Carmen , Michl Josef 
Published: August 2013

AbstractThe trideuteriomethylation of BH vertices in CB11H12−and its derivatives with CD3OTf (OTf=triflate, trifluoromethanesulfonate) yields a mixture of BCD3and BCHD2substitution products, thus demonstrating the intermediacy of a species with a long enough lifetime for hydrogen scrambling between the boron vertex and the methyl substituent. No such scrambling is observed if CD3OTf is used to methylate toluene. According to density functional theory calculations, the intermediate in BH vertex methylation is a three‐center bonded σ adduct of a methyl cation to the BH bond and the proton scrambling occurs via a transition structure containing a distorted square‐pyramidal methane attached axially to a “naked” boron vertex. The subsequent proton or deuteron loss is presently not understood in detail. A general comparison of electrophilic substitution oncloso‐boranes and arenes is provided and similarities as well as differences are discussed. A recalculation of the optimized geometry of the CB11Me12.radical produced a second Jahn–Teller distorted minimum and resulted in a somewhat improved agreement between calculated and measured proton hyperfine coupling constants.
The elevated gene expression level of the A2B adenosine receptor is associated with hyperglycemia in women with gestational diabetes mellitus
Authors: Wojcik Marzena , Zieleniak Andrzej , Mac‐Marcjanek Katarzyna , Wozniak Lucyna A. , Cypryk Katarzyna 
Published: August 2013

AbstractBackgroundAdenosine receptors denoted by A1, A2A, A2B, and A3 and encoded by ADORA1, ADORA2A, ADORA2B, and ADORA3 genes, respectively, are adenosine‐activated G‐protein‐coupled receptors that play an important role in obesity and type 2 diabetes mellitus. However, little is known about their significance in gestational diabetes mellitus (GDM). The purpose of this study was to investigate whether there are changes in leukocyte AR expression in GDM patients and whether these alterations are linked to well‐known diabetic genes.MethodsLeukocytes were isolated from the blood of normal glucose tolerant (NGT; n = 35) and GDM (n = 82) pregnant women, and expression of ARs was determined by a semi‐quantitative polymerase chain reaction (PCR). Univariate correlation analysis was performed to investigate associations between expression of ARs and anthropometric and metabolic parameters of patients. Furthermore, the identification of diabetic genes linked to significantly differentiated leukocyte adenosine receptors expression in GDM women was also carried out with the use of the human diabetes RT2 profiler PCR arrays.ResultsADORA2B mRNA expression was significantly higher in GDM versus NGT pregnant women (p < 0.05), and positively correlated with the glucose level at 1‐h 75‐g oral glucose tolerance test (OGTT; r = 0.21, p = 0.044). Nineteen diabetic genes linked to leukocyte ADORA2B overexpression associated with hyperglycemia in GDM women were also identified.ConclusionsMaternal leukocyte ADORA2B overexpression is associated with hyperglycemia in GDM subjects, and it is accompanied by complex alterations in the expression of diabetes‐related genes involved in insulin action, carbohydrate and lipid metabolism, oxidative stress, and inflammation. Copyright © 2013 John Wiley & Sons, Ltd.
A Powerful Method for Combining P‐Values in Genomic Studies
Authors: Chen Huann‐Sheng , Pfeiffer Ruth M. , Zhang Shunpu 
Published: August 2013

ABSTRACTAfter genetic regions have been identified in genomewide association studies (GWAS), investigators often follow up with more targeted investigations of specific regions. These investigations typically are based on single nucleotide polymorphisms (SNPs) with dense coverage of a region. Methods are thus needed to test the hypothesis of any association in given genetic regions. Several approaches for combining P‐values obtained from testing individual SNP hypothesis tests are available. We recently proposed a sequential procedure for testing the global null hypothesis of no association in a region. When this global null hypothesis is rejected, this method provides a list of significant hypotheses and has weak control of the family‐wise error rate. In this paper, we devise a permutation‐based version of the test that accounts for correlations of tests based on SNPs in the same genetic region. Based on simulated data, the method has correct control of the type I error rate and higher or comparable power to other tests.
Modeling CO2 injection at Cranfield, Mississippi: Investigation of methane and temperature effects
Authors: Doughty Christine , Freifeld Barry M. 
Published: August 2013

AbstractA large‐scale carbon dioxide (CO2) injection pilot is ongoing at Cranfield, Mississippi, in a saline aquifer with high dissolved methane (CH4) content, employing one injection well and two observation wells. The breakthrough of CH4 and CO2 at the observation wells provides insights to phase partitioning and the multipath nature of flow through the formation. Injected CO2 is cooler than the formation temperature, making temperature another useful observation. Simulations of the first year of CO2 injection were conducted with the numerical simulator TOUGH2 and the equation of state module EOS7C, which includes CO2, CH4, and H2O, using an axisymmetric model with layering based on well logs from the injection well. Although the simplification of an axisymmetric model precludes study of formation dip or lateral heterogeneity, its simple structure enables a focus on physical processes involving the phase partitioning of CH4 and CO2, and temperature effects. Field observations that the model reproduces include the arrival of a bank of free‐phase CH4 ahead of the main CO2 plume at each observation well, and non‐monotonic changes in CH4 and CO2 mole fraction as a function of time, suggesting that multiple distinct flow paths exist between the injection well and the observation wells, each with its own bank of free‐phase CH4 leading the CO2. Model results are compared with temperature observations made in the field with a Distributed Temperature Sensor (DTS) system, suggesting that a well‐defined thermal response reached the near observation well within the seven‐month monitoring period, but not the more distant observation well. © 2013 Society of Chemical Industry and John Wiley & Sons, Ltd
HSF1 and Sp1 Regulate FUT4 Gene Expression and Cell Proliferation in Breast Cancer Cells
Authors: Yang Xuesong , Wang Jiao , Liu Shuiai , Yan Qiu 
Published: August 2013

ABSTRACTLewis Y (LeY) is a carbohydrate tumor‐associated antigen. The majority of cancer cells derived from epithelial tissues express LeY type difucosylated oligosaccharides. Fucosyltransferase IV (FUT4) is an essential enzyme that catalyzes the synthesis of LeY oligosaccharides. In a previous study we reported that FUT4 is associated with cell proliferation; however, despite the important role of FUT4 in cancer proliferation and apoptosis, little is known about the mechanisms underlying the regulation of FUT4 transcription. In the current study we investigated the regulation of FUT4 transcription in human breast cancer. We compared the regulation of human FUT4 gene transcription in human breast cancer cells (MCF‐7 and MDA‐MB‐231) using promoter/luciferase analyses. Using a series of promoter deletion constructs, we identified a potential regulatory site located between 0.8 and 1.6 kb of the FUT4 promoter. As shown by EMSA and ChIP analyses, heat‐shock factor 1 (HSF1) and Sp1are required for FUT4 promoter activity. In addition, we explored the role of HSF1 and Sp1 on cell proliferation, and found that the ERK1/2 MAPK and PI3K/Akt signaling pathways regulate the expression of FUT4, which play a role in cell proliferation via HSF1 and Sp1. These results suggest that FUT4 is a target gene for HSF1 and Sp1 that is required for cell cycle progression in breast cancer epithelial cells. J. Cell. Biochem. 115: 168–178, 2014. © 2013 Wiley Periodicals, Inc.
Neuroprotective Activity of pDING in Response to HIV‐1 Tat
Authors: Darbinian Nune , Khalili Kamel , Amini Shohreh 
Published: August 2013

AbstractAlthough neurons are not productively infected with HIV‐1, neuronal injury and death are frequently seen in the brains of AIDS patients with neurological and neurocognitive disorders. Evidently, viral proteins including Tat and cellular inflammatory factors released by activated and/or infected microglia, macrophages, and astrocytes contribute to neuronal cell death. Several studies have demonstrated that HIV‐1 associated neuronal cell injury is mediated by dysregulation of signaling pathways that are controlled, in part, by a class of serine/threonine kinases. In this study, we demonstrate that pDING, a novel plant‐derived phosphate binding protein has the capacity to reduce the severity of injury and death caused by HIV‐1 and its neurotoxic Tat protein. We demonstrate that pDING, also called p27SJ/p38SJ, protects cells from the loss of neuronal processes induced by Tat and promotes neuronal outgrowth after Tat‐mediated injury. Further, expression of pDING prevents Tat‐induced oxidative stress and mitochondrial permeability. With its profound phosphatase activity, pDING controls the activity of several kinases including MAPK, Cdk5, and their downstream target protein, MEF2, which is implicated in neuronal cell protection. Our results show that expression of pDING in neuronal cells diminishes the level of hyperphosphorylated forms of Cdk5 and MEF2 caused by Tat and the other neurotoxic agents that are secreted by the HIV‐1 infected cells. These observations suggest that pDING, through its phosphatase activity, has the ability to manipulate the state of phosphorylation and activity of several factors involved in neuronal cell health in response to HIV‐1. J. Cell. Physiol. 229: 153–161, 2014. © 2013 Wiley Periodicals, Inc.
Influence of the Orinoco River on the primary production of eastern Caribbean surface waters
Authors: López Ramón , López José M. , Morell Julio , Corredor Jorge E. , Del Castillo Carlos E. 
Published: August 2013

Key Points

River plume increases primary production of eastern Caribbean waters.
Climate fluctuations are observed in remote sensed primary production.
River plume coverage and seasonality influences primary production gradients.
Variability in ozone and its precursors over the Bay of Bengal during post monsoon: Transport and emission effects
Authors: Mallik C. , Lal S. , Venkataramani S. , Naja M. , Ojha N. 
Published: August 2013

AbstractSimultaneous measurements of O3, CO, NOx, CH4, and light nonmethane hydrocarbons were made over the Bay of Bengal (BoB) during 28 October to 17 November 2010 to study the role of chemistry and dynamics. The measurements revealed large variability in O3 (11 to 60 ppbv) and CO (45 to 260 ppbv). Estimated south to north latitudinal gradients in O3 (3.95 ppbv/°) and CO (16.56 ppbv/°) were significantly higher than those observed during earlier campaigns. Hybrid Single‐Particle Lagrangian Integrated Trajectory simulated back air trajectories were used to classify these measurements into pollution plumes from nearby sources (India‐Bangladesh region and Southeast Asia), influenced by long‐range transport and pristine marine air from the Indian Ocean. Interspecies correlations were used to identify emission signatures in these air masses, e.g., chemical proxies suggested influence of biofuel/biomass burning in NE‐BoB and E‐BoB air masses. Principle component analysis indicated contributions of ship emissions to NOx levels over the BoB. Influences of fire from the Myanmar and Thailand regions are shown to be the potential contributor to enhanced CO levels (>250 ppbv) over the BoB during 14–15 November. Diurnal variations in surface O3 revealed effects of advection, entrainment, and photochemistry. A chemical box model simulated the photochemical buildup in O3 in polluted air masses and daytime destruction in pristine oceanic air masses.
Choosing wisely in adult hospital medicine: Five opportunities for improved healthcare value
Authors: Bulger John , Nickel Wendy , Messler Jordan , Goldstein Jenna , O'Callaghan James , Auron Moises , Gulati Mangla 
Published: August 2013

BACKGROUNDIn an effort to lead physicians in addressing the problem of overuse of medical tests and treatments, the American Board of Internal Medicine Foundation developed the Choosing Wisely campaign. The Society of Hospital Medicine (SHM) joined the initiative to highlight the need to critically appraise resource utilization in hospitals.METHODSThe SHM employed a staged methodology to develop the adult Choosing Wisely list. This included surveys of the organization's leaders and general membership, a review of the literature, and Delphi panel voting.RESULTSThe 5 recommendations that were subsequently approved by the SHM Board are: (1) Do not place, or leave in place, urinary catheters for incontinence or convenience or monitoring of output for non–critically ill patients (acceptable indications: critical illness, obstruction, hospice, perioperatively for <2 days for urologic procedures; use weights instead to monitor diuresis). (2) Do not prescribe medications for stress ulcer prophylaxis to medical inpatients unless at high risk for gastrointestinal complications. (3) Avoid transfusions of red blood cells for arbitrary hemoglobin or hematocrit thresholds and in the absence of symptoms or active coronary disease, heart failure, or stroke. (4) Do not order continuous telemetry monitoring outside of the intensive care unit without using a protocol that governs continuation. (5) Do not perform repetitive complete blood count and chemistry testing in the face of clinical and lab stability.CONCLUSIONSHospitalists have many opportunities to impact overutilization of care. The adult hospital medicine Choosing Wisely recommendations offer an explicit starting point for eliminating waste in the hospital. Journal of Hospital Medicine 2013;8:486–492. © 2013 Society of Hospital Medicine
Choosing wisely in pediatric hospital medicine: Five opportunities for improved healthcare value
Authors: Quinonez Ricardo A. , Garber Matthew D. , Schroeder Alan R. , Alverson Brian K. , Nickel Wendy , Goldstein Jenna , Bennett Jeffrey S. , Fine Bryan R. , Hartzog Timothy H. , McLean Heather S. , Mittal Vineeta , Pappas Rita M. , Percelay Jack M. , Phillips Shannon C. , Shen Mark , Ralston Shawn L. 
Published: August 2013

BACKGROUNDDespite estimates that waste constitutes up to 20% of healthcare expenditures in the United States, overuse of tests and therapies is significantly under‐recognized in medicine, particularly in pediatrics. The American Board of Internal Medicine Foundation developed the Choosing Wisely campaign, which challenged medical societies to develop a list of 5 things physicians and patients should question. The Society of Hospital Medicine (SHM) joined this effort in the spring of 2012. This report provides the pediatric workgroup's results.METHODSA workgroup of experienced and geographically dispersed pediatric hospitalists was convened by the Quality and Safety Committee of the SHM. This group developed an initial list of 20 recommendations, which was pared down through a modified Delphi process to the final 5 listed below.RESULTSThe top 5 recommendations proposed for pediatric hospital medicine are: (1) Do not order chest radiographs in children with asthma or bronchiolitis. (2) Do not use systemic corticosteroids in children under 2 years of age with a lower respiratory tract infection. (3) Do not use bronchodilators in children with bronchiolitis. (4) Do not treat gastroesophageal reflux in infants routinely with acid suppression therapy. (5) Do not use continuous pulse oximetry routinely in children with acute respiratory illness unless they are on supplemental oxygen.CONCLUSIONWe recommend that pediatric hospitalists use this list to prioritize quality improvement efforts and include issues of waste and overuse in their efforts to improve patient care. Journal of Hospital Medicine 2013;8:479–485. © 2013 Society of Hospital Medicine