1,275 research outputs found

    Long-term prognostic counselling in people with multiple sclerosis using an online analytical processing tool

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    Background: prognostic counselling is a sensitive issue in medicine and especially so in MS due to the highly heterogeneous disease course. However, people with MS (pwMS) seek prognostic information. The web-based ‘Evidence-Based Decision Support Tool in Multiple Sclerosis’ (EBDiMS) uses data of 717 patients from the London/Ontario cohort to calculate personalized long-term prognostic information. Objective: the aim of this study was to investigate the feasibility and effect of long-term prognostic counselling in pwMS using EBDiMS. Methods: ninety consecutive pwMS were provided with personalized estimations of expected time to reach Expanded Disability Status Scale (EDSS) scores of 6 and 8 and time to conversion to secondary-progressive MS. Participants gave estimates on their own putative prognosis and rated the tool’s acceptability on six-step Likert-type scales. Results: participants rated EBDiMS as highly understandable, interesting and relevant for patient–physician encounters, coping and therapy decisions. Although it provoked a certain degree of worry in some participants, 95% would recommend using the tool. Participants’ own prognosis estimates did not change significantly following EBDiMS. Conclusion: long-term prognostic counselling using an online tool has been shown to be feasible in a clinical setting. EBDiMS provides pwMS with relevant, easy-to-understand, long-term prognostic information without causing relevant anxiety.</p

    Embedded real-time software techniques to handle misfunctioning due to electromagnetic fields

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    International audienceBrief bibliographical information : The team EMC of LESIA/INSA works on emission and susceptibility of electronic systems in cooperation with numerous firms from several domains including avionics (EADS) and automotive (Motorola, Siemens VDO). The team is a co-author of the standard IEC 62014-3, the organizer of the international conference EMC Compo and participates to the European projects MESDIE and LIMA

    SO2 and SO3 reactions with [(C5Me5)(2)Sm-O-Sm (C5Me5)(2)]: a DFT investigation and comparison with CO2 reactivity

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    bibtex: ISI:000403968300003 bibtex\location:'THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND',publisher:'ROYAL SOC CHEMISTRY',type:'Article',affiliation:'Maron, L (Reprint Author), Univ Toulouse, LPCNO, CNRS, INSA,UPS, 135 Ave Rangueil, F-31077 Toulouse, France. Louyriac, Elisa; Maron, Laurent, Univ Toulouse, LPCNO, CNRS, INSA,UPS, 135 Ave Rangueil, F-31077 Toulouse, France. Roesky, Peter W., KIT, Inst Inorgan Chem, Engesserstr 15, D-76131 Karlsruhe, Germany.','author-email':'[email protected] [email protected]',da:'2018-12-05','doc-delivery-number':'EY4SR',eissn:'1477-9234','journal-iso':'Dalton Trans.','keywords-plus':'CRYSTALLOGRAPHIC CHARACTERIZATION; SULFINATE COMPLEXES; ACTIVATION; OXO; LANTHANIDE; DITHIONITE; MECHANISM; DIOXIDE','number-of-cited-references':'20','research-areas':'Chemistry','times-cited':'3','unique-id':'ISI:000403968300003','usage-count-last-180-days':'3','usage-count-since-2013':'10','web-of-science-categories':'Chemistry, Inorganic & Nuclear'\International audienceRecently, it was shown that samarocene oxide [Cp*2SmO-SmCp*(2)] with Cp* = C5Me5 could react with organic and inorganic anhydrides. The reactions of [Cp*Sm-2-O-SmCp*(2)] with SO2 and SO3 are reported using DFT calculations and compared with the reactivity of CO2. These reactions exhibit similar features yielding [Cp*(2)-Sm-(mu-eta(1):eta(2)-OSO2)-SmCp*2] similar to [Cp*(2)-Sm(mu-eta(1):eta(2)-OCO2)-SmCp*(2)] and [Cp*(2)-Sm-(mu-eta(2):eta(2)-O2SO2)-SmCp*(2)] complexes

    Synthesis and Reactivity of a Scandium Terminal Hydride: H-2 Activation by a Scandium Terminal Imido Complex

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    bibtex: ISI:000413337400008 bibtex\location:'POSTFACH 101161, 69451 WEINHEIM, GERMANY',publisher:'WILEY-V C H VERLAG GMBH',type:'Article',affiliation:'Chen, YF (Reprint Author), Univ Chinese Acad Sci, Chinese Acad Sci, Shanghai Inst Organ Chem, State Key Lab Organometall Chem, 345 Lingling Rd, Shanghai 200032, Peoples R China. Maron, L (Reprint Author), Univ Paul Sabatier, CNRS, LPCNO, 135 Ave Rangueil, F-31077 Toulouse, France. Maron, L (Reprint Author), Univ Paul Sabatier, INSA, 135 Ave Rangueil, F-31077 Toulouse, France. Han, Xianghao; Xiang, Li; Mao, Weiqing; Lu, Erli; Leng, Xuebing; Chen, Yaofeng, Univ Chinese Acad Sci, Chinese Acad Sci, Shanghai Inst Organ Chem, State Key Lab Organometall Chem, 345 Lingling Rd, Shanghai 200032, Peoples R China. Lamsfus, Carlos A.; Maron, Laurent, Univ Paul Sabatier, CNRS, LPCNO, 135 Ave Rangueil, F-31077 Toulouse, France. Lamsfus, Carlos A.; Maron, Laurent, Univ Paul Sabatier, INSA, 135 Ave Rangueil, F-31077 Toulouse, France.','author-email':'[email protected] [email protected]',da:'2018-12-05','doc-delivery-number':'FK2UF',eissn:'1521-3765','funding-acknowledgement':'National Natural Science Foundation of China [21325210, 21421091]; Strategic Priority Research Program of the Chinese Academy of Sciences [XDB20000000]','funding-text':'This work was supported by the National Natural Science Foundation of China (Grant Nos. 21325210 and 21421091), and the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDB20000000). L.M. is member of the Institut Universitaire de France. The Humboldt Foundation, the Chinese Scholarship Council, and the Chinese Academy of Science are also acknowledged as well as CalMip for computing time.','journal-iso':'Chem.-Eur. J.','keywords-plus':'C-H ACTIVATION; RARE-EARTH COMPLEXES; BOND ACTIVATION; BASE-FREE; LIGAND; HYDROGEN; CYCLOADDITION; DIHYDROGEN; DERIVATIVES; ALKYLIDENE','number-of-cited-references':'56','orcid-numbers':'Alvarez Lamsfus, Carlos/0000-0002-4442-7052','research-areas':'Chemistry','times-cited':'2','unique-id':'ISI:000413337400008','usage-count-last-180-days':'1','usage-count-since-2013':'21','web-of-science-categories':'Chemistry, Multidisciplinary'\International audienceDihydrogen is easily activated by a scandium terminal imido complex containing the weakly coordinated THF. The reaction proceeds through a 1,2-addition mechanism, which is distinct from the sigma-bond metathesis mechanism reported to date for rare-earth metal-mediated H-2 activation. This reaction yields a scandium terminal hydride, which is structurally well-characterized, being the first one to date. The reactivity of this hydride is reported with unsaturated substrates, further shedding light on the existence of the terminal hydride complex. Interestingly, the H-2 activation can be reversible. DFT investigations further eludciate the mechanistic aspects of the reactivity of the scandium anilido-terminal hydride complex with PhNCS but also on the reversible H-2 activation process

    Magnetresonanztomographie bei Multipler Sklerose verstehen lernen: Entwicklung und Pilotierung eines Online-Schulungsprogramms zur Magnetresonanztomographie für Menschen mit Multipler Sklerose

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    Hintergrund und Zielsetzung: Menschen mit Multipler Sklerose (MS) verfügen über ein geringes Wissen zur Magnetresonanztomographie (MRT) sowie zu ihrer Erkrankung selbst. Dies ist konträr zur Relevanz der MRT-Untersuchung für das Krankheitsmanagement und stellt ein Hindernis für die aktive Teilnahme an medizinischen Entscheidungsprozessen dar. Umfassende, patientenfreundliche und evidenzbasierte Patienteninformationen zu Nutzen und Limitation der MRT bei MS sind für Betroffene derzeit nicht verfügbar. Ziel dieser Studie war die Entwicklung und Pilotierung eines patientenfreundlichen, interaktiven und evidenzbasierten Online-Schulungsprogramms zur MRT bei MS. Die Website UMIMS (Understanding MRI in MS) soll das MRT-Risikowissen verbessern, Ängste ab- und MRT-Kompetenz aufbauen, um eine aktive Rollenpräferenz in der Arzt-Patienten-Beziehung zu fördern. Methoden: Die Entwicklung basierte auf einer Literaturrecherche sowie der Vorarbeit von Brand et al. (2014). Während des Entwicklungsprozesses wurde die Website in 2 semistrukturierten Interviewrunden mit Menschen mit MS, Expert-Patienten und MRT-Experten evaluiert. In der Pilotstudie erhielten n = 92 Menschen mit MS für 4 Wochen Zugang zur Website. Die Benutzererfahrungen und die Akzeptanz, das MRT-Risikowissen (Fragebogen MRI-RIKNO 2.0) sowie die Emotionen und Einstellungen gegenüber der MRT (Fragebogen MRI-EMA) wurden evaluiert. Die Ergebnisse wurden mit einer früheren Online-Kohorte mit n = 508 Menschen mit MS ohne Zugang zur Website verglichen. Ergebnisse: Die Teilnehmenden der Pilotkohorte beschrieben überwiegend eine Darstellung aller wichtigen Informationen zum Thema MRT bei MS sowie eine angemessene Informationsfülle. Für die Mehrheit waren die Informationen neu, ohne zu verunsichern. In einer Gegenüberstellung mit einer früheren Online-Kohorte ohne Zugang zur Website wurde in der Pilotkohorte eine relevante Steigerung des MRT-Risikowissens um 9,9 % durchschnittlich richtig beantworteter Fragen im MRI-RIKNO 2.0 Fragebogen erzielt (Pilotkohorte: 72,0 %, Online-Kohorte: 62,1 %). Die MRT vermittelte den Teilnehmenden der Pilot- sowie der Online-Kohorte ein moderates Gefühl von Kontrolle über ihre Erkrankung. Allerdings gaben 66,3 % der Teilnehmenden der Pilotkohorte an sich kompetent genug zu fühlen, um ihre MRT-Ergebnisse mit einem Arzt zu diskutieren, in der Online-Kohorte waren es nur 46,9 %. Die Teilnehmenden hatten nur wenig Angst vor dem MRT-Scan selbst, es bestand jedoch eine moderate Angst vor den MRT-Ergebnissen. Beides war in der Pilot- und Online-Kohorte vergleichbar. Schlussfolgerung: Die hohe Akzeptanz der Website sowie die erzielte Wissenssteigerung zeigen die Relevanz und Notwendigkeit von evidenzbasierten Patienteninformationen zur MRT bei MS. Ein gestiegenes Kompetenzgefühl kann Menschen mit MS bei Entscheidungsprozessen dazu befähigen, eine aktive Rollenpräferenz zu verwirklichen, insbesondere bei Entscheidungen, die sich auf MRT-Befunde stützen und hilft möglicherweise auch, Ängste in Bezug auf die MRT zu reduzieren

    Samarium-Catalyzed Diastereoselective Double Addition of Phenylphosphine to Imines and Mechanistic Studies by DFT Calculations

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    bibtex: ISI:000400097100003 bibtex\location:'POSTFACH 101161, 69451 WEINHEIM, GERMANY',publisher:'WILEY-V C H VERLAG GMBH',type:'Article',affiliation:'Cui, CM (Reprint Author), Nankai Univ, State Key Lab Elementoorgan Chem, Collaborat Innovat Ctr Chem Sci & Engn, Tianjin 300071, Peoples R China. Maron, L (Reprint Author), Univ Toulouse, LPCNO, CNRS, INSA,UPS,UMR 5215, 135 Ave Rangueil, F-31077 Toulouse, France. Li, Jianfeng; Song, Changhong; Liu, Jinxi; Fan, Guilan; Cui, Chunming, Nankai Univ, State Key Lab Elementoorgan Chem, Collaborat Innovat Ctr Chem Sci & Engn, Tianjin 300071, Peoples R China. Lamsfus, Carlos Alvarez; Maron, Laurent, Univ Toulouse, LPCNO, CNRS, INSA,UPS,UMR 5215, 135 Ave Rangueil, F-31077 Toulouse, France.','author-email':'[email protected] [email protected]',da:'2018-12-05','doc-delivery-number':'ET2JI',eissn:'1867-3899','funding-acknowledgement':'National Natural Science Foundation of China [21390401]; Humboldt Foundation; Chinese Academy of Sciences','funding-text':'We are grateful to the National Natural Science Foundation of China (21390401) for financial support. L.M. is a member of the Institut Universitaire de France. The Humboldt Foundation and the Chinese Academy of Sciences are acknowledged for financial support of this work. L.M. and C.A.L. are grateful to CalMip for the generous grant of computing time.','journal-iso':'ChemCatChem','keywords-plus':'H BOND ADDITION; AMINOPHOSPHINE LIGANDS; ASYMMETRIC ADDITION; CHIRAL 3,4-DIAZAPHOSPHOLANES; ALPHA-AMINOPHOSPHINES; EFFICIENT SYNTHESIS; METAL-COMPLEXES; HYDROPHOSPHINATION; ALKENES; CARBODIIMIDES','number-of-cited-references':'48','orcid-numbers':'Alvarez Lamsfus, Carlos/0000-0002-4442-7052','research-areas':'Chemistry','times-cited':'2','unique-id':'ISI:000400097100003','usage-count-last-180-days':'4','usage-count-since-2013':'13','web-of-science-categories':'Chemistry, Physical'\International audienceThe catalytic hydrophosphination of imines represents the most straightforward and atom-economical strategy for the preparation of alpha-aminophosphines, which are useful as biologically active molecules and ligands for catalysis. The first catalytic protocol for the rapid and high-yielding hydrophosphination of common imines enabled by an ene-diamido samarium methoxide catalyst was developed. The reaction allowed the efficient and diastereoselective synthesis of various bis(alpha-amino)phosphines through the double addition of PhPH2 to common imines. The catalytic reaction has a relatively wide substrate scope and offers high diastereoselectivities (up to 99: 1 dr for meso products) and high yields (up to 97%). DFT calculations disclosed an inner-sphere mechanism involving unprecedented activation of a Sm-O bond by a phosphine and stabilization of the addition intermediates by the metal center

    Nonchelated Phosphoniomethylidene Complexes of Scandium and Lutetium

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    bibtex: ISI:000418204600015 bibtex\location:'1155 16TH ST, NW, WASHINGTON, DC 20036 USA',publisher:'AMER CHEMICAL SOC',type:'Article',affiliation:'Chen, YF (Reprint Author), Univ Chinese Acad Sci, Shanghai Inst Organ Chem, Chinese Acad Sci, State Key Lab Organomet Chem, 345 Lingling Rd, Shanghai 200032, Peoples R China. Maron, L (Reprint Author), Univ Paul Sabatier, LPCNO, CNRS, 135 Ave Rangueil, F-31077 Toulouse, France. Maron, L (Reprint Author), Univ Paul Sabatier, INSA, 135 Ave Rangueil, F-31077 Toulouse, France. Mao, Weiqing; Xiang, Li; Leng, Xuebing; Chen, Yaofeng, Univ Chinese Acad Sci, Shanghai Inst Organ Chem, Chinese Acad Sci, State Key Lab Organomet Chem, 345 Lingling Rd, Shanghai 200032, Peoples R China. Maron, Laurent, Univ Paul Sabatier, LPCNO, CNRS, 135 Ave Rangueil, F-31077 Toulouse, France. Maron, Laurent, Univ Paul Sabatier, INSA, 135 Ave Rangueil, F-31077 Toulouse, France.','author-email':'[email protected] [email protected]',da:'2018-12-05','doc-delivery-number':'FQ2RI','funding-acknowledgement':'National Natural Science Foundation of China [21325210, 21421091, 21732007]; Chinese Academy of Sciences [XDB20000000]','funding-text':'This work was supported by the National Natural Science Foundation of China (Grant Nos. 21325210, 21421091, and 21732007) and the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDB20000000).','journal-iso':'J. Am. Chem. Soc.','keywords-plus':'METAL METHYLIDENE COMPLEXES; CARBON MULTIPLE BOND; ALKYLIDENE COMPLEXES; METATHESIS REACTIONS; CARBENE COMPLEXES; NOBEL LECTURE; REACTIVITY; ACTIVATION; TANTALUM; CRYSTAL','number-of-cited-references':'38','research-areas':'Chemistry','times-cited':'7','unique-id':'ISI:000418204600015','usage-count-last-180-days':'9','usage-count-since-2013':'22','web-of-science-categories':'Chemistry, Multidisciplinary'\International audienceThe first phosphoniomethylidene complexes of scandium and lutetium, [LLn(CHPPh3)X] (L = [MeC(NDIPP)CHC(NDIPP)Me](-); Ln = Sc, X = Me, I, TfO; Ln = Lu, X = CH2SiMe3), have been synthesized and fully characterized. DFT calculations clearly demonstrate the presence of an allylic Ln, C, P pi-type interaction in these complexes. X-ray diffraction indicates that the scandium iodide complex has the shortest Sc-C bond length to date (2.044(5)angstrom). These phosphoniomethylidene complexes readily convert into the ylide complexes, and the reactivity is affected by both X- anion and Ln(3+) ion. The reaction of lutetium complex with imine shows a rapid insertion of imine into the Lu-C(alkylidene) bond. DFT calculations indicate that, although the bonding situation seems similar to that of the scandium analog, the strong negative charge at the alkylidene carbon is not sufficiently screened by one hydrogen in the lutetium complex because of a more ionic bonding, and therefore, the reactivity of the lutetium complex is much higher
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