124,698 research outputs found
Going Beyond Counting First Authors in Author Co-citation Analysis
No full textThe present study examines one of the fundamental aspects of author co-citation analysis (ACA) - the way co-citation
counts are defined. Co-citation counting provides the data on which all subsequent statistical analyses and mappings
are based, and we compare ACA results based on two different types of co-citation counting - the traditional type that
only counts the first one among a cited work's authors on the one hand and a non-traditional type that takes into
account the first 5 authors of a cited work on the other hand. Results indicate that the picture produced through this non-traditional author co-citation counting contains more coherent author groups and is therefore considerably clearer. However, this picture represents fewer specialties in the research field being studied than that produced through the traditional first-author co-citation counting when the same number of top-ranked authors is selected and analyzed. Reasons for these effects are discussed
Dispelling the Myths Behind First-author Citation Counts
No full textWe conducted a full-scale evaluative citation analysis study of scholars in the XML research field to explore just how different from each other author rankings resulting from different citation counting methods actually are, and to demonstrate the capability of emerging data and tools on the Web in supporting more realistic citation counting methods. Our results contest some common arguments for the continued
use of first-author citation counts in the evaluation of scholars, such as high correlations between author rankings by first-author citation counts and other citation
counting methods, and high costs of using more realistic citation counting methods that are not well-supported by the ISI databases. It is argued that increasingly available digital full text research papers make it possible for citation analysis studies to go beyond what the ISI databases have directly supported and to employ more
sophisticated methods
Deuterium in drug discovery: progress, opportunities and challenges
No full textSubstituting a hydrogen atom with its heavy isotope deuterium may improve the pharmacokinetic and/or toxicity profile of a drug compared with its non-deuterated counterpart. This article highlights milestones in the field of deuteration in drug discovery and development, and discusses recent examples of its application, which have shifted towards deuteration of novel drug candidates instead of developing deuterated analogues of marketed drugs.Substitution of a hydrogen atom with its heavy isotope deuterium entails the addition of one neutron to a molecule. Despite being a subtle change, this structural modification, known as deuteration, may improve the pharmacokinetic and/or toxicity profile of drugs, potentially translating into improvements in efficacy and safety compared with the non-deuterated counterparts. Initially, efforts to exploit this potential primarily led to the development of deuterated analogues of marketed drugs through a 'deuterium switch' approach, such as deutetrabenazine, which became the first deuterated drug to receive FDA approval in 2017. In the past few years, the focus has shifted to applying deuteration in novel drug discovery, and the FDA approved the pioneering de novo deuterated drug deucravacitinib in 2022. In this Review, we highlight key milestones in the field of deuteration in drug discovery and development, emphasizing recent and instructive medicinal chemistry programmes and discussing the opportunities and hurdles for drug developers, as well as the questions that remain to be addressed
FOURIER-TRANSFORM FAR-INFRARED SPECTROSCOPY OF ASTROPHYSICAL SPECIES
No full textO. Pirali, J. Orphal, M. Vervloet, J.-B. Brubach, P. Roy, international Symposium on Molecular Spectroscopy, Talk WH01, 2002.Author Institution: CNRS, Laboratoire de Photophysique Mol\'{e}culaire, Universit\'{e} Paris SudFIRST (Far InfraRed Space telescope) and ALMA (Atacama Large Millimeter Array) are future instruments wich will be used to study galaxies, star formation, interstellar medium, clouds These instruments will record spectra of such astrophysical objects in the far-infrared (FIR) spectral region . Laboratory measurements are therefore necessary to complete the spectroscopic knowledge of astrophysically important molecules in this spectral region. We have recorded, with our interferometer Bruker IFS-120 (maximum resolution: ), emission and absorption spectra of several astrophysical species in the FIR region. Thermal emission spectra of hot small molecules ( and its isotopomers) have been recorded as well as spectra of radicals () using different excitation sources. FIR emission spectroscopy (between 50 and ) of Polycyclic Aromatic Hydrocarbons (PAHs) has also been performed. We have detected the low frequency bending vibrations of the aromatic rings which are the fingerprints of the PAH molecules. The absorption spectrum of Naphtalene in the same spectral range leads to resolve the P, Q and R branches of these vibrational transitions. As already , the much brighter FIR continuum source provided by synchrotron radiation will be exploited for further improved absorption measurements
Click 1,2,3-triazoles in drug discovery and development: From the flask to the clinic?
No full textAfter 20 years since its conception, click chemistry has come of age and we believe the time has come to evaluate if the copper-catalyzed azide alkyne cycloaddition (CuCAAC) reaction deserves to be considered the perfect transformation in medicinal chemistry campaigns and to weigh up the concrete results that have been produced in terms of drugs approved and clinical candidates in development. After a description of the properties of the triazole nucleus in terms of both pharmacokinetic and pharmacodynamic profile, a practical guide for the best approaches to be used for the synthesis of triazoles is provided, capitalizing on our 20-year hands-on experience in this chemistry. Finally, we describe those molecules displaying the 1,2,3-triazole nucleus that have entered the market or are, at least, in clinical trials. Only four 1,2,3-triazole-bearing drugs have been launched so far. Among them the recently approved antibody drug conjugate sacituzumab govitecan was discovered thanks to click chemistry. Nevertheless, to the best of our knowledge, there are a dozen 1,2,3-triazoles in clinical development and it is likely that we will witness the launch on the market of at least some of them, encouraging medicinal chemists to further use this approach, not only as a route to early-stage discoveries, but also as a means to developing successful drugs
Pragmatic Case Studies as a Source of Unity in Applied Psychology
No full textTo unify or not to unify applied psychology: that is the question. In this article we review pendulum swings in the historical efforts to answer this question—from a comprehensive, positivist, “top-down,” deductive yes between the 1930s and the early 60s, to a postmodern no since then. A rationale and proposal for a limited, “bottom-up,” inductive yes in applied psychology is then presented, employing a case-based paradigm that integrates both positivist and postmodern themes and components. This paradigm is labeled “pragmatic psychology” and, its specific use of case studies, the “Pragmatic Case Study Method” (“PCS Method”). We call for the creation of peer-reviewed journal-databases of pragmatic case studies as a foundational source of unifying applied knowledge in our discipline. As one example, the potential of the PCS Method for unifying different angles of theoretical regard is illustrated in an area of applied psychology, psychotherapy, via the case of Mrs. B. The article then turns to the broader historical and epistemological arguments for the unifying nature of the PCS Method in both applied and basic psychology.Peer reviewe
Synchotron-based high resolution spectroscopy of N-bearing PAHS
No full textFor thirty years,\footnote{A. Leger, J. L. Puget, \textit{Astron. Astrophys.} \textbf{137}, L5-L8 (1984); L. J. Allamandola et al. \textit{Astrophys. J.} \textbf{290}, L25-L28 (1985).} the Polycyclic Aromatic Hydrocarbons (PAHs) have been suspected to give rise to the numerous Unidentified Infrared Bands (UIBs) observed in most astrophysical objects. Pure carbon molecules as well as derivatives with nitrogen atom(s) incorporated into the carbon skeleton have been considered. These N-bearing molecules are interesting candidates for astronomical research since they possess a larger permanent dipole moment than purely carbon-based PAHs.
Most of the data reported in the literature deal with rotationally unresolved data. During the last decade, high-resolution microwave spectroscopy initiated high resolution studies of this broad family of molecules.\footnote{Z. Kisiel et al. \textit{J. Mol. Spectrosc.} \textbf{217}, 115 (2003); S. Thorwirth et al. \textit{Astrophys. J.} \textbf{662}, 1309 (2007); D. McNaughton et al. \textit{J. Chem. Phys.} \textbf{124}, 154305 (2011).} Recent advances in laboratory techniques permitted to provide interesting new results to rotationally resolve the IR/Far-IR vibrational bands of these relatively large C-bearing molecules\footnote{S. Albert et al. \textit{Faraday Discuss.} \textbf{150}, 71-99 (2011); B. E. Brumfield et al. \textit{Phys. Chem. Lett.} \textbf{3}, 1985-1988 (2012); O. Pirali et al. \textit{Phys. Chem. Chem. Phys.} \textbf{15}, 10141 (2013).},in particular, making use of synchrotron radiation as the IR continuum source of high resolution Fourier transform (FT) spectrometers.
We will present an overview of the synchrotron-based high resolution FTIR spectroscopy of 5 aza-derivatives of naphthalene (isoquinoline, quinoline, quinoxaline, quinazoline, [1,5] naphthyridine) using a room temperature long path absorption cell at the French facility SOLEIL. In support to the rovibrational analysis of these FIR spectra, very accurate anharmonic DFT calculations were performed.\footnote{M. Goubet, O. Pirali, J. \textit{Chem. Phys.}, \textbf{140}, 044322 (2014).}Made available in DSpace on 2014-09-17T16:55:10Z (GMT). No. of bitstreams: 3
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Dr. Edwin Wright Collection: Author Unknown
No full textNotes - The author relates several short stories about his neighbours including Alex McDonell, homesteading and life around Meanook and Athabasca (1 page
Appropriate Similarity Measures for Author Cocitation Analysis
No full textWe provide a number of new insights into the methodological discussion about author cocitation analysis. We first argue that the use of the Pearson correlation for measuring the similarity between authors’ cocitation profiles is not very satisfactory. We then discuss what kind of similarity measures may be used as an alternative to the Pearson correlation. We consider three similarity measures in particular. One is the well-known cosine. The other two similarity measures have not been used before in the bibliometric literature. Finally, we show by means of an example that our findings have a high practical relevance.information science;Pearson correlation;cosine;similarity measure;author cocitation analysis
Determinazione mediante HPLC-MS di acido perfluoro-ottan-sulfonico (PFOS) e acido perfluoro-ottanoico (PFOA) in diversi tessuti di soggetti non esposti professionalmente
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