Orbital redistribution in molecular nanostructures mediated by metal-organic bonds

Dicyanovinyl-quinquethiophene (DCV5T-Me) is a prototype conjugated oligomer for highly efficient organic solar cells. This class of oligothiophenes are built up by an electron-rich donor (D) backbone and terminal electron-deficient acceptor (A) moieties. Here, we investigated its structural and electronic properties when it is adsorbed on a Au(111) surface using low temperature scanning tunneling microscopy/spectroscopy (STM/STS) and atomic force microscopy (AFM). We find that DCV5T-Me self-assembles in extended chains, stabilized by intercalated Au atoms. The effect of metal-ligand hybridization with Au adatoms causes an energetic downshift of the DCV5T-Me lowest unoccupied molecular orbital (LUMO) with respect to the uncoordinated molecules on the surface. The asymmetric coordination of a gold atom to only one molecular end group leads to an asymmetric localization of the LUMO and LUMO+1 states at opposite sides. Using model density functional theory (DFT) calculations, we explain such orbital reshaping as a consequence of linear combinations of the original LUMO and LUMO+1 orbitals, mixed by the attachment of a bridging Au adatom. Our study shows that the alignment of molecular orbitals and their distribution within individual molecules can be modified by contacting them to metal atoms in specific sites

Für | For Manfred from his Students

Dieses Buch enthält Beiträge von Personen, die ihre Magister- oder Doktorarbeit unter der Betreuung von Manfred Krifka geschrieben haben. Es ist als kleines Abschiedsgeschenk für Manfred Krifka zum Ende seiner Amtszeit als Direktor des Leibniz-Zentrums für Allgemeine Sprachwissenschaft gedacht. Die Herausgeberin und der Herausgeber haben Beiträge zu sprachwissenschaftlichen und nicht-sprachwissenschaftlichen Themen in einer Vielzahl von Genres gesammelt. Diese Vielfalt spiegelt die Interessen und Forschungsthemen von Manfred Krifka wider. Sie spiegelt auch die Vielfalt der Menschen wider, denen Manfred Krifka geholfen hat

Multiple Myeloma Treatment in Real-world Clinical Practice : Results of a Prospective, Multinational, Noninterventional Study

Funding Information: The authors would like to thank all patients and their families and all the EMMOS investigators for their valuable contributions to the study. The authors would like to acknowledge Robert Olie for his significant contribution to the EMMOS study. Writing support during the development of our report was provided by Laura Mulcahy and Catherine Crookes of FireKite, an Ashfield company, a part of UDG Healthcare plc, which was funded by Millennium Pharmaceuticals, Inc, and Janssen Global Services, LLC. The EMMOS study was supported by research funding from Janssen Pharmaceutical NV and Millennium Pharmaceuticals, Inc. Funding Information: The authors would like to thank all patients and their families and all the EMMOS investigators for their valuable contributions to the study. The authors would like to acknowledge Robert Olie for his significant contribution to the EMMOS study. Writing support during the development of our report was provided by Laura Mulcahy and Catherine Crookes of FireKite, an Ashfield company, a part of UDG Healthcare plc, which was funded by Millennium Pharmaceuticals, Inc, and Janssen Global Services, LLC. The EMMOS study was supported by research funding from Janssen Pharmaceutical NV and Millennium Pharmaceuticals, Inc. Funding Information: M.M. has received personal fees from Janssen, Celgene, Amgen, Bristol-Myers Squibb, Sanofi, Novartis, and Takeda and grants from Janssen and Sanofi during the conduct of the study. E.T. has received grants from Janssen and personal fees from Janssen and Takeda during the conduct of the study, and grants from Amgen, Celgene/Genesis, personal fees from Amgen, Celgene/Genesis, Bristol-Myers Squibb, Novartis, and Glaxo-Smith Kline outside the submitted work. M.V.M. has received personal fees from Janssen, Celgene, Amgen, and Takeda outside the submitted work. M.C. reports honoraria from Janssen, outside the submitted work. M. B. reports grants from Janssen Cilag during the conduct of the study. M.D. has received honoraria for participation on advisory boards for Janssen, Celgene, Takeda, Amgen, and Novartis. H.S. has received honoraria from Janssen-Cilag, Celgene, Amgen, Bristol-Myers Squibb, Novartis, and Takeda outside the submitted work. V.P. reports personal fees from Janssen during the conduct of the study and grants, personal fees, and nonfinancial support from Amgen, grants and personal fees from Sanofi, and personal fees from Takeda outside the submitted work. W.W. has received personal fees and grants from Amgen, Celgene, Novartis, Roche, Takeda, Gilead, and Janssen and nonfinancial support from Roche outside the submitted work. J.S. reports grants and nonfinancial support from Janssen Pharmaceutical during the conduct of the study. V.L. reports funding from Janssen Global Services LLC during the conduct of the study and study support from Janssen-Cilag and Pharmion outside the submitted work. A.P. reports employment and shareholding of Janssen (Johnson & Johnson) during the conduct of the study. C.C. reports employment at Janssen-Cilag during the conduct of the study. C.F. reports employment at Janssen Research and Development during the conduct of the study. F.T.B. reports employment at Janssen-Cilag during the conduct of the study. The remaining authors have stated that they have no conflicts of interest. Publisher Copyright: © 2018 The AuthorsMultiple myeloma (MM) remains an incurable disease, with little information available on its management in real-world clinical practice. The results of the present prospective, noninterventional observational study revealed great diversity in the treatment regimens used to treat MM. Our results also provide data to inform health economic, pharmacoepidemiologic, and outcomes research, providing a framework for the design of protocols to improve the outcomes of patients with MM. Background: The present prospective, multinational, noninterventional study aimed to document and describe real-world treatment regimens and disease progression in multiple myeloma (MM) patients. Patients and Methods: Adult patients initiating any new MM therapy from October 2010 to October 2012 were eligible. A multistage patient/site recruitment model was applied to minimize the selection bias; enrollment was stratified by country, region, and practice type. The patient medical and disease features, treatment history, and remission status were recorded at baseline, and prospective data on treatment, efficacy, and safety were collected electronically every 3 months. Results: A total of 2358 patients were enrolled. Of these patients, 775 and 1583 did and did not undergo stem cell transplantation (SCT) at any time during treatment, respectively. Of the patients in the SCT and non-SCT groups, 49%, 21%, 14%, and 15% and 57%, 20%, 12% and 10% were enrolled at treatment line 1, 2, 3, and ≥ 4, respectively. In the SCT and non-SCT groups, 45% and 54% of the patients had received bortezomib-based therapy without thalidomide/lenalidomide, 12% and 18% had received thalidomide/lenalidomide-based therapy without bortezomib, and 30% and 4% had received bortezomib plus thalidomide/lenalidomide-based therapy as frontline treatment, respectively. The corresponding proportions of SCT and non-SCT patients in lines 2, 3, and ≥ 4 were 45% and 37%, 30% and 37%, and 12% and 3%, 33% and 27%, 35% and 32%, and 8% and 2%, and 27% and 27%, 27% and 23%, and 6% and 4%, respectively. In the SCT and non-SCT patients, the overall response rate was 86% to 97% and 64% to 85% in line 1, 74% to 78% and 59% to 68% in line 2, 55% to 83% and 48% to 60% in line 3, and 49% to 65% and 36% and 45% in line 4, respectively, for regimens that included bortezomib and/or thalidomide/lenalidomide. Conclusion: The results of our prospective study have revealed great diversity in the treatment regimens used to manage MM in real-life practice. This diversity was linked to factors such as novel agent accessibility and evolving treatment recommendations. Our results provide insight into associated clinical benefits.publishersversionPeer reviewe

Sorafenib or placebo in patients with newly diagnosed acute myeloid leukaemia: long-term follow-up of the randomized controlled SORAML trial

Abstract Early results of the randomized placebo-controlled SORAML trial showed that, in patients with newly diagnosed acute myeloid leukaemia (AML), sorafenib led to a significant improvement in event-free (EFS) and relapse-free survival (RFS). In order to describe second-line treatments and their implications on overall survival (OS), we performed a study after a median follow-up time of 78 months. Newly diagnosed fit AML patients aged ≤60 years received sorafenib (n = 134) or placebo (n = 133) in addition to standard chemotherapy and as maintenance treatment. The 5-year EFS was 41 versus 27% (HR 0.68; p = 0.011) and 5-year RFS was 53 versus 36% (HR 0.64; p = 0.035). Allogeneic stem cell transplantation (allo SCT) was performed in 88% of the relapsed patients. Four years after salvage allo SCT, the cumulative incidence of relapse was 54 versus 35%, and OS was 32 versus 50%. The 5-year OS from randomization in all study patients was 61 versus 53% (HR 0.82; p = 0.282). In conclusion, the addition of sorafenib to chemotherapy led to a significant prolongation of EFS and RFS. Although the OS benefit did not reach statistical significance, these results confirm the antileukaemic activity of sorafenib

Security and Business Situational Awareness

“Security needs to be aligned with business”. Business situational awareness is the ability to continually monitor ongoing actions and events related to business operations and estimate the immediate and close-future impact of the new information. This ability is crucial for business continuity and should encompass all associated aspects. Considering the growing dependability of businesses on IT on the one hand, and ever increasing threats on the other, IT security aspects should get adequate attention in the awareness system. We present an approach to raise business situational awareness using an advanced method of predictive security analysis at runtime. It continually observes a system’s event stream to find deviations from specified behavior and violations of security compliance rules. Operational models of the key processes are utilized to predict critical security states, evaluate possible countermeasures, and trigger corrective actions. A security information model maintains the security strategy and explains possible deviations from the originating goal. The approach is demonstrated on an industrial scenario from a European research project

Verhaltensanalyse zur Erkennung von Missbrauch mobiler Geldtransferdienste

National audienceDie fortlaufende Überwachung von Transaktionen auf Geldwäscheverdacht ist Finanzinstituten in Deutschland und anderen Ländern vorgeschrieben. Smurfing ist eine Form der Geldwäsche, bei der durch den Transfer vieler kleiner Geldbeträge auf unterschiedlichen Wegen mit der Hilfe von Strohmännern ein hoher Geldbetrag unauffällig transferiert werden soll. In dieser Arbeit betrachten wir das Smurfing-Risiko im Rahmen mobiler Geldtransferdienste. Insbesondere beschreiben wir eine Methode zur vorbeugenden Sicherheitsanalyse zur Laufzeit, welche das Prozessverhalten in einem Geldtransfer-Service in Bezug auf Transaktionen beobachtet und versucht, es mit dem erwarteten Verhalten zu vergleichen, welches durch ein Prozessmodell vorgegeben ist. Wir analysieren Abweichungen von der vorgegebenen Verhaltensspezifikation auf Anomalien, die einen möglichen Missbrauch des Finanzdienstes durch Geldwäscheaktivitäten anzeigen. Wir bewerten die Anwendbarkeit der Vorgehensweise und beschreiben Messungen der Rechen- und Erkennungsleistung eines prototypischen Werkzeugs basierend auf realen und simulierten Betriebsprotokollen. Das Ziel der Experimente ist es, basierend auf Eigenschaften des realen Finanzdienstes, Missbrauchsmuster in synthetisiertem Prozessverhalten mit eingefügten Geldwäscheaktivitäten zu erkennen

Fraud Detection in Mobile Payments Utilizing Process Behavior Analysis

International audienceGenerally, the fraud risk implies any intentional deception made for financial gain. In this paper, we consider this risk in the field of services which support transactions with electronic money. Specifically, we apply a predictive security analysis method and tool which observes the behavior with respect to the transactions within such a service and tries to match it with expected behavior given by a process model. We analyze deviations from the given behavior specification for anomalies that indicate possible misuse by money laundering activities. We evaluate the applicability of the proposed approach and the computational and detection performance of the predictive security analyzer. The aim is to detect money laundering patterns in synthetic process behavior composed of simulated logs based on properties captured from real world transaction events