pinecone/core-2020-05-10-deduplication huggingface dataset:
Palladium-catalysed amination of electron-deficient or relatively-rich benzo[b]thienylbromides : preliminary studies of antimicrobial activity and SARs

Several diarylamines in the benzo[b]thiophene series were prepared by palladium catalyzed amination of ethyl 3-bromobenzo[b]thien-2-yl carboxylate with anilines and 5-aminoindole, in good to high yields using Pd(OAc)2, BINAP, Cs2CO3 in toluene. The presence of the ester group in the position 2 of the benzo[b]thiophene moiety increases the yields and lowers the heating times when compared with reactions using 3-bromobenzo[b]thiophene. When aminopyridines, instead of anilines, were used the ligand and the solvent need to be changed to XANTHPHOS and dioxane in the amination reaction. From 2-aminopyridine a one pot C-N coupling and intramolecular cyclization involving the nitrogen of the pyridine, with lost of ethanol, occurred giving an interesting fluorescent tetracyclic heteroaromatic compound. The  antimicrobial activity, the minimal inhibitory concentration (MIC) and structure-activity relationships (SAR) were evaluated. A selectivity with low MICs was observed against Bacillus Cereus and good results were also obtained against Candida albicans. The acids obtained by hydrolysis of the ester group, as non proteinogenic alpha,beta-unsaturated beta-amino acids can be incorporated in a peptide chain to induce conformational constraints.Fundação para a Ciência e Tecnologia. 
ERASMUS
The changing geography of globalized service provision, 2000-2008

This empirical paper maps changes in the global geography of advanced producer service provision across major cities in the 2000-2008 period. The analyses are based on a systematic assessment of geographical shifts in the office networks of leading firms in finance, management consultancy, accountancy, advertising and law, using measures of inter-city connectivity. It has been previously shown that there has been a general shift of these services from 'West to East'. In this paper, variations in the degree and pattern of this global shift among the different sectors are described and interpreted. The results point to an inherent complexity in economic globalization that is sometimes overlooked in general descriptions of the meta-process
Measurement of the cross-section for b-jets produced in association with a Z boson at √s=7 TeV with the ATLAS detector

Artículo escrito por un elevado número de autores, solo se referencian el que aparece en primer lugar, el nombre del grupo de colaboración, si le hubiere, y los autores pertenecientes a la UAMA measurement is presented of the inclusive cross-section for b-jet production in association with a Z boson in pp collisions at a centre-of-mass energy of √ s = 7 TeV. The analysis uses the data sample collected by the ATLAS experiment in 2010, corresponding to an integrated luminosity of approximately 36 pb−1. The event selection requires a Z boson decaying into high pT electrons or muons, and at least one b-jet, identified by its displaced vertex, with transverse momentum pT > 25 GeV and rapidity |y| < 2.1. After subtraction of background processes, the yield is extracted from the vertex mass distribution of the candidate b-jets. The ratio of this cross-section to the inclusive Z cross-section (the average number of b-jets per Z event) is also measured. Both results are found to be in good agreement with perturbative QCD predictions at next-to-leading orderWe acknowledge the support of ANPCyT, Argentina; YerPhI, Armenia; ARC, Australia; BMWF, Austria; ANAS, Azerbaijan; SSTC, Belarus; CNPq and FAPESP, Brazil; NSERC, NRC and CFI, Canada; CERN; CONICYT, Chile; CAS, MOST and NSFC, China; COLCIENCIAS, Colombia; MSMT CR, MPO CR and VSC CR, Czech Republic; DNRF, DNSRC and Lundbeck Foundation, Denmark; ARTEMIS, European Union; IN2P3-CNRS, CEA-DSM/IRFU, France; GNAS, Georgia; BMBF, DFG, HGF, MPG and AvH Foundation, Germany; GSRT, Greece; ISF, MINERVA, GIF, DIP and Benoziyo Center, Israel; INFN, Italy; MEXT and JSPS, Japan; CNRST, Morocco; FOM and NWO, Netherlands; RCN, Norway; MNiSW, Poland; GRICES and FCT, Portugal; MERYS (MECTS), Romania; MES of Russia and ROSATOM, Russian Federation; JINR; MSTD, Serbia; MSSR, Slovakia; ARRS and MVZT, Slovenia; DST/NRF, South Africa; MICINN, Spain; SRC and Wallenberg Foundation, Sweden; SER, SNSF and Cantons of Bern and Geneva, Switzerland; NSC, Taiwan; TAEK, Turkey; STFC, the Royal Society and Leverhulme Trust, United Kingdom; DOE and NSF, United States of America. The crucial computing support from all WLCG partners is acknowledged gratefully, in particular from CERN and the ATLAS Tier- 1 facilities at TRIUMF (Canada), NDGF (Denmark, Norway, Sweden), CC-IN2P3 (France), KIT/GridKA (Germany), INFN-CNAF (Italy), NLT1 (Netherlands), PIC (Spain), ASGC (Taiwan), RAL (UK) and BNL (USA) and in the Tier-2 facilities worldwid
Measurement of the W→τντ cross section in pp collisions at √s=7 TeV with the ATLAS experiment

Artículo escrito por un elevado número de autores, solo se referencian el que aparece en primer lugar, el nombre del grupo de colaboración, si le hubiere, y los autores pertenecientes a la UAMThe cross section for the production of W bosons with subsequent decay W →τντ is measured with  the ATLAS detector at the LHC. The analysis is based on a data sample that was recorded in 2010 at  a proton–proton center-of-mass energy of  √  s = 7 TeV and corresponds to an integrated luminosity of  34 pb−1. The cross section is measured in a region of high detector acceptance and then extrapolated to  the full phase space. The product of the total W production cross section and the W →τντ branching  ratio is measured to be σtot  W→τντ  = 11.1±0.3 (stat)±1.7 (syst)±0.4 (lumi) nbWe thank CERN for the very successful operation of the LHC,  as well as the support staff from our institutions without whom  ATLAS could not be operated efficiently.  We acknowledge the support of ANPCyT, Argentina; YerPhI, Armenia;  ARC, Australia; BMWF, Austria; ANAS, Azerbaijan; SSTC,  Belarus; CNPq and FAPESP, Brazil; NSERC, NRC and CFI, Canada;  CERN; CONICYT, Chile; CAS, MOST and NSFC, China; COLCIENCIAS,  Colombia; MSMT CR, MPO CR and VSC CR, Czech Republic; DNRF,  DNSRC and Lundbeck Foundation, Denmark; ARTEMIS, European  Union; IN2P3–CNRS, CEA-DSM/IRFU, France; GNAS, Georgia; BMBF,  DFG, HGF, MPG and AvH Foundation, Germany; GSRT, Greece; ISF,  MINERVA, GIF, DIP and Benoziyo Center, Israel; INFN, Italy; MEXT  and JSPS, Japan; CNRST, Morocco; FOM and NWO, Netherlands;  RCN, Norway; MNiSW, Poland; GRICES and FCT, Portugal; MERYS  (MECTS), Romania; MES of Russia and ROSATOM, Russian Federation;  JINR; MSTD, Serbia; MSSR, Slovakia; ARRS and MVZT, Slovenia;  DST/NRF, South Africa; MICINN, Spain; SRC and Wallenberg  Foundation, Sweden; SER, SNSF and Cantons of Bern and Geneva,  Switzerland; NSC, Taiwan; TAEK, Turkey; STFC, the Royal Society  and Leverhulme Trust, United Kingdom; DOE and NSF, United  States.  The crucial computing support from all WLCG partners is acknowledged  gratefully, in particular from CERN and the ATLAS  Tier-1 facilities at TRIUMF (Canada), NDGF (Denmark, Norway,  Sweden), CC-IN2P3 (France), KIT/GridKA (Germany), INFN-CNAF (Italy), NL-T1 (Netherlands), PIC (Spain), ASGC (Taiwan), RAL (UK)  and BNL (USA) and in the Tier-2 facilities worldwid
AGATA-Advanced GAmma Tracking Array

The Advanced GAmma Tracking Array (AGATA) is a European project to develop and operate the next generation gamma-ray spectrometer. AGATA is based on the technique of gamma-ray energy tracking in electrically segmented high-purity germanium crystals. This technique requires the accurate determination of the energy, time and position of every interaction as a gamma ray deposits its energy within the detector volume. Reconstruction of the full interaction path results in a detector with very high efficiency and excellent spectral response. The realisation of gamma-ray tracking and AGATA is a result of many technical advances. These include the development of encapsulated highly segmented germanium detectors assembled in a triple cluster detector cryostat, an electronics system with fast digital sampling and a data acquisition system to process the data at a high rate. The full characterisation of the crystals was measured and compared with detector-response simulations. This enabled pulse-shape analysis algorithms, to extract energy, time and position, to be employed. In addition, tracking algorithms for event reconstruction were developed. The first phase of AGATA is now complete and operational in its first physics campaign. In the future AGATA will be moved between laboratories in Europe and operated in a series of campaigns to take advantage of the different beams and facilities available to maximise its science output. The paper reviews all the achievements made in the AGATA project including all the necessary infrastructure to operate and support the spectrometer
Porous self-protonating spiropyran-based NIPAAm gels with improved reswelling kinetics

The final publication is available at
Springer via http://dx.doi.org/[10.1007/s10853-015-9458-2][EN] This study focuses on improving the speed ofactuation of poly(N-isopropylacrylamide)-based photoresponsive gels containing copolymerised spiropyran as the photoswitch and acrylic acid as the proton source. The improvement is realised by introducing pores into the material. For this purpose, polyethylene glycol (PEG) of
two molecular weights (2000 and 20000 g mol-1) has been used as the porophore in the polymerisation mixture. Upon removal of the PEG porophore post polymerisation,
hydrogels of different pore sizes were obtained. This impacts the diffusion of water molecules moving in/out of the hydrogel matrix, thus improving the swelling and shrinking kinetics of the hydrogel due to reduction of the average diffusion pathlength. Most significant improvement was observed in the reswelling step and is demonstrated with optical microscopy combined with kinetic ultraviolet–visible spectroscopy (UV–Vis) analysis. Scanning electron microscopy reveals the PEG-induced pores to be in the range of 0.1–2 lm. Moreover, the mechanical stability of the gels is confirmed with rheometry. Lastly, the presented photoresponsive porous gels exhibit an order of magnitude faster reswelling rate compared to the non-PEG-produced control sample.The authors acknowledge funding from EU Framework 7 project ‘‘ATWARM’’ (Marie Curie ITN, No. 238273) and Science Foundation Ireland under the Insight initiative, Grant SFI/12/RC/2289. FBL acknowledges the Ramón y Cajal Programme (Ministerio de Economía y Competitividad), Spain and the European Union's Seventh Framework Programme (FP7) for Research, Technological Development and Demonstration under Grant Agreement No. 60424
Sedation and Analgesia Practices in Neonatal Intensive Care Units (EUROPAIN): Results from a Prospective Cohort Study

BACKGROUND: Neonates who are in pain or are stressed during care in the intensive care unit (ICU) are often given sedation or analgesia. We investigated the current use of sedation or analgesia in neonatal ICUs (NICUs) in European countries.
METHODS:
EUROPAIN (EUROpean Pain Audit In Neonates) was a prospective cohort study of the management of sedation and analgesia in patients in NICUs. All neonates admitted to NICUs during 1 month were included in this study. Data on demographics, methods of respiration, use of continuous or intermittent sedation, analgesia, or neuromuscular blockers, pain assessments, and drug withdrawal syndromes were gathered during the first 28 days of admission to NICUs. Multivariable linear regression models and propensity scores were used to assess the association between duration of tracheal ventilation (TV) and exposure to opioids, sedatives-hypnotics, or general anaesthetics in neonates (O-SH-GA). This study is registered with ClinicalTrials.gov, number NCT01694745.
FINDINGS:
From Oct 1, 2012, to June 30, 2013, 6680 neonates were enrolled in 243 NICUs in 18 European countries. Mean gestational age of these neonates was 35.0 weeks (SD 4.6) and birthweight was 2384 g (1007). 2142 (32%) neonates were given TV, 1496 (22%) non-invasive ventilation (NIV), and 3042 (46%) were kept on spontaneous ventilation (SV). 1746 (82%), 266 (18%), and 282 (9%) neonates in the TV, NIV, and SV groups, respectively, were given sedation or analgesia as a continuous infusion, intermittent doses, or both (p<0.0001). In the participating NICUs, the median use of sedation or analgesia was 89.3% (70.0-100) for neonates in the TV group. Opioids were given to 1764 (26%) of 6680 neonates and to 1589 (74%) of 2142 neonates in the TV group. Midazolam was given to 576 (9%) of 6680 neonates and 536 (25%) neonates of 2142 neonates in the TV group. 542 (25%) neonates in the TV group were given neuromuscular blockers, which were administered as continuous infusions to 146 (7%) of these neonates. Pain assessments were recorded in 1250 (58%) of 2138, 672 (45%) of 1493, and 916 (30%) of 3017 neonates in the TV, NIV, and SV groups, respectively (p<0.0001). In the univariate analysis, neonates given O-SH-GA in the TV group needed a longer duration of TV than did those who were not given O-SH-GA (mean 136.2 h [SD 173.1] vs 39.8 h [94.7] h; p<0.0001). Multivariable and propensity score analyses confirmed this association (p<0.0001).
INTERPRETATION:
Wide variations in sedation and analgesia practices occur between NICUs and countries. Widespread use of O-SH-GA in intubated neonates might prolong their need for mechanical ventilation, but further research is needed to investigate the therapeutic and adverse effects of O-SH-GA in neonates, and to develop new and safe approaches for sedation and analgesia.
FUNDING:
European Community's Seventh Framework Programme
Generalized $\lambda$-deformations of AdS_p x S^p

We study analytical properties of the generalized $\lambda$-deformation,
which modifies string theories while preserving integrability, and construct
the explicit backgrounds corresponding to AdS_p x S^p, including the
Ramond-Ramond fluxes. For an arbitrary coset, we find the general form of the
R-matrix underlying the deformation, and prove that the dilaton is not modified
by the deformation, while the frames are multiplied by a constant matrix. Our
explicit solutions describe families of integrable string theories depending on
several continuous parameters.Comment: 36 pages, V2: references added, appendix extende
Final COMPASS results on the deuteron spin-dependent structure function
  $g_1^{\rm d}$ and the Bjorken sum rule

Final results are presented from the inclusive measurement of deep-inelastic
polarised-muon scattering on longitudinally polarised deuterons using a $^6$LiD
target. The data were taken at $160~{\rm GeV}$ beam energy and the results are
shown for the kinematic range $1~({\rm GeV}/c)^2 < Q^2 < 100~({\rm GeV}/c)^2$
in photon virtuality, $0.004<x<0.7$ in the Bjorken scaling variable and $W >
4~{\rm GeV}/c^2$ in the mass of the hadronic final state. The deuteron
double-spin asymmetry $A_1^{\rm d}$ and the deuteron longitudinal-spin
structure function $g_1^{\rm d}$ are presented in bins of $x$ and $Q^2$.
Towards lowest accessible values of $x$, $g_1^{\rm d}$ decreases and becomes
consistent with zero within uncertainties. The presented final $g_1^{\rm d}$
values together with the recently published final $g_1^{\rm p}$ values of
COMPASS are used to again evaluate the Bjorken sum rule and perform the QCD fit
to the $g_1$ world data at next-to-leading order of the strong coupling
constant. In both cases, changes in central values of the resulting numbers are
well within statistical uncertainties. The flavour-singlet axial charge $a_0$,
{which is identified in the $\overline{\rm MS}$ renormalisation scheme with the
total contribution of quark helicities to the nucleon spin}, is extracted from
only the COMPASS deuteron data with negligible extrapolation uncertainty: $a_0
(Q^2 = 3~({\rm GeV}/c)^2) = 0.32 \pm 0.02_{\rm stat} \pm0.04_{\rm syst} \pm
0.05_{\rm evol}$. Together with the recent results on the proton spin structure
function $g_1^{\rm p}$, the results on $g_1^{\rm d}$ constitute the COMPASS
legacy on the measurements of $g_1$ through inclusive spin-dependent deep
inelastic scattering.Comment: 16 pages, 6 figure
Knowledge and risk perceptions of the Ebola virus in the United States

© 2015. Objectives: The Ebola epidemic has received extensive media coverage since the first diagnosed cases of the virus in the US. We investigated risk perceptions of Ebola among individuals living in the US and measured their knowledge of the virus. Method: US residents completed an online survey (conducted 14-18 November 2014) that assessed their Ebola knowledge and risk perceptions. Results: Respondents who were more knowledgeable of Ebola perceived less risk of contracting the virus and were less worried about the virus, but also regarded Ebola as more serious than less knowledgeable respondents. The internet served as a major source of additional information among knowledgeable respondents. Conclusion: The findings suggest that the provision of health information about Ebola may be effective in informing the public about Ebola risks and of preventive measures without curtailing the seriousness of the virus. Policymakers may seek to further exploit the internet as a means of delivering information about Ebola in the US and worldwide
Surveillance of cirrhosis for hepatocellular carcinoma: a cost-utility analysis.

Using a decision-analytic model, we evaluated the effectiveness and cost-effectiveness of surveillance for hepatocellular carcinoma (HCC) in individuals with cirrhosis. Separate cohorts with cirrhosis due to alcoholic liver disease, hepatitis B and hepatitis C were simulated. Results were also combined to approximate a mixed aetiology population. Comparisons were made between a variety of surveillance algorithms using alpha-foetoprotein (AFP) assay and/or ultrasound at 6- and 12-monthly intervals. Parameter estimates were obtained from comprehensive literature reviews. Uncertainty was explored using one-way and probabilistic sensitivity analyses. In the mixed aetiology cohort, 6-monthly AFP+ultrasound was predicted to be the most effective strategy. The model estimates that, compared with no surveillance, this strategy may triple the number of people with operable tumours at diagnosis and almost halve the number of people who die from HCC. The cheapest strategy employed triage with annual AFP (incremental cost-effectiveness ratio (ICER): 20,700 pounds per quality-adjusted life-year (QALY) gained). At a willingness-to-pay threshold of 30,000 pounds per QALY the most cost-effective strategy used triage with 6-monthly AFP (ICER: 27,600 pounds per QALY gained). The addition of ultrasound to this strategy increased the ICER to 60,100 pounds per QALY gained. Surveillance appears most cost-effective in individuals with hepatitis B-related cirrhosis, potentially due to younger age at diagnosis of cirrhosis. Our results suggest that, in a UK NHS context, surveillance of individuals with cirrhosis for HCC should be considered effective and cost-effective. The economic efficiency of different surveillance strategies is predicted to vary markedly according to cirrhosis aetiology
The role of high-dimensional diffusive search, stabilization, and frustration in protein folding.

Proteins are polymeric molecules with many degrees of conformational freedom whose internal energetic interactions are typically screened to small distances. Therefore, in the high-dimensional conformation space of a protein, the energy landscape is locally relatively flat, in contrast to low-dimensional representations, where, because of the induced entropic contribution to the full free energy, it appears funnel-like. Proteins explore the conformation space by searching these flat subspaces to find a narrow energetic alley that we call a hypergutter and then explore the next, lower-dimensional, subspace. Such a framework provides an effective representation of the energy landscape and folding kinetics that does justice to the essential characteristic of high-dimensionality of the search-space. It also illuminates the important role of nonnative interactions in defining folding pathways. This principle is here illustrated using a coarse-grained model of a family of three-helix bundle proteins whose conformations, once secondary structure has formed, can be defined by six rotational degrees of freedom. Two folding mechanisms are possible, one of which involves an intermediate. The stabilization of intermediate subspaces (or states in low-dimensional projection) in protein folding can either speed up or slow down the folding rate depending on the amount of native and nonnative contacts made in those subspaces. The folding rate increases due to reduced-dimension pathways arising from the mere presence of intermediate states, but decreases if the contacts in the intermediate are very stable and introduce sizeable topological or energetic frustration that needs to be overcome. Remarkably, the hypergutter framework, although depending on just a few physically meaningful parameters, can reproduce all the types of experimentally observed curvature in chevron plots for realizations of this fold
Exome sequencing followed by large-scale genotyping suggests a limited role for moderately rare risk factors of strong effect in schizophrenia.

Schizophrenia is a severe psychiatric disorder with strong heritability and marked heterogeneity in symptoms, course, and treatment response. There is strong interest in identifying genetic risk factors that can help to elucidate the pathophysiology and that might result in the development of improved treatments. Linkage and genome-wide association studies (GWASs) suggest that the genetic basis of schizophrenia is heterogeneous. However, it remains unclear whether the underlying genetic variants are mostly moderately rare and can be identified by the genotyping of variants observed in sequenced cases in large follow-up cohorts or whether they will typically be much rarer and therefore more effectively identified by gene-based methods that seek to combine candidate variants. Here, we consider 166 persons who have schizophrenia or schizoaffective disorder and who have had either their genomes or their exomes sequenced to high coverage. From these data, we selected 5,155 variants that were further evaluated in an independent cohort of 2,617 cases and 1,800 controls. No single variant showed a study-wide significant association in the initial or follow-up cohorts. However, we identified a number of case-specific variants, some of which might be real risk factors for schizophrenia, and these can be readily interrogated in other data sets. Our results indicate that schizophrenia risk is unlikely to be predominantly influenced by variants just outside the range detectable by GWASs. Rather, multiple rarer genetic variants must contribute substantially to the predisposition to schizophrenia, suggesting that both very large sample sizes and gene-based association tests will be required for securely identifying genetic risk factors. © 2012 The American Society of Human Genetics
The impact of an unexpected wage cut on corruption: Evidence from a “Xeroxed” exam

This paper aims to understand how corruption responds to an income loss. We exploit an unexpected 25% wage cut incurred in 2010 by all Romanian public sector employees, including the public education staff. We investigate a corruptible high-stake exam taking place shortly after the wage announcement. To measure corruption we compare changes in exam outcomes from 2007 to 2010 between public and private schools, as the latter were not affected by the policy. We find that the wage loss induced better exam outcomes in public than in private schools and we attribute this difference to increased corruption by public educators