Search Results - "Merle, S."
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Perspectives in Dye Chemistry: A Rational Approach toward Functional Materials by Understanding the Aggregate State
Published in Journal of the American Chemical Society (31-03-2021)“…The past 20 years have witnessed a renaissance of dye chemistry, moving from traditional colorant research toward functional materials. Different from…”
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Complement System Part II: Role in Immunity
Published in Frontiers in immunology (26-05-2015)“…The complement system has been considered for a long time as a simple lytic cascade, aimed to kill bacteria infecting the host organism. Nowadays, this vision…”
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Configuration Interaction in Frontier Molecular Orbital Basis for Screening the Spin-Correlated, Spatially Separated Triplet Pair State 1(T···T) Formation
Published in Journal of chemical theory and computation (08-10-2024)“…In the theoretical screening of Singlet Fission rates in molecular aggregates, often the frontier molecular orbital model for dimers is employed. However, the…”
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Steering the multiexciton generation in slip-stacked perylene dye array via exciton coupling
Published in Nature communications (02-08-2022)“…Dye arrays from dimers up to larger oligomers constitute the functional units of natural light harvesting systems as well as organic photonic and photovoltaic…”
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P-selectin drives complement attack on endothelium during intravascular hemolysis in TLR-4/heme-dependent manner
Published in Proceedings of the National Academy of Sciences - PNAS (26-03-2019)“…Hemolytic diseases are frequently linked to multiorgan failure subsequent to vascular damage. Deciphering the mechanisms leading to organ injury upon hemolytic…”
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A Four-Month Gatifloxacin-Containing Regimen for Treating Tuberculosis
Published in The New England journal of medicine (23-10-2014)“…Shortening treatment regimens for tuberculosis may help control the disease. In this trial, patients with tuberculosis in sub-Saharan Africa received either a…”
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Tuning phenoxyl-substituted diketopyrrolopyrroles from quinoidal to biradical ground states through (hetero-)aromatic linkers
Published in Chemical science (Cambridge) (11-11-2020)“…Strongly fluorescent halochromic 2,6-di- tert -butyl-phenol-functionalised phenyl-, thienyl- and furyl-substituted diketopyrrolopyrrole (DPP) dyes were…”
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Editorial: Complement and COVID-19 Disease
Published in Frontiers in immunology (01-07-2022)Get full text
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Exciton Dynamics from Strong to Weak Coupling Limit Illustrated on a Series of Squaraine Dimers
Published in Journal of physical chemistry. C (19-04-2018)“…We present a joint theoretical and experimental study on the light-induced exciton relaxation dynamics in a series of three squaraine dimers spanning the range…”
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metaFALCON: A Program Package for Automatic Sampling of Conical Intersection Seams Using Multistate Metadynamics
Published in Journal of chemical theory and computation (11-06-2019)“…The multistate metadynamics for automatic exploration of conical intersection seams and systematic location of minimum energy crossing points in molecular…”
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Editorial: Expert opinions and perspectives in complement: 2022
Published in Frontiers in immunology (12-07-2023)Get full text
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Photocontrolled Reversible Amyloid Fibril Formation of Parathyroid Hormone-Derived Peptides
Published in Bioconjugate chemistry (17-07-2024)“…Peptide fibrillization is crucial in biological processes such as amyloid-related diseases and hormone storage, involving complex transitions between folded,…”
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New theoretical methods for the exploration of functional landscapes
Published in International journal of quantum chemistry (15-12-2021)“…Molecular functionality can be often directly attributed to given properties of the electronic wavefunction. Analogous to the potential energy surface, these…”
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Site-dependence of van der Waals interaction explains exciton spectra of double-walled tubular J-aggregates
Published in Physical chemistry chemical physics : PCCP (14-03-2015)“…The simulation of the optical properties of supramolecular aggregates requires the development of methods, which are able to treat a large number of coupled…”
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Endohedral Hydrogen Bonding Templates the Formation of a Highly Strained Covalent Organic Cage Compound
Published in Chemistry : a European journal (01-04-2021)“…A highly strained covalent organic cage compound was synthesized from hexahydroxy tribenzotriquinacene (TBTQ) and a meta‐terphenyl‐based diboronic acid with an…”
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Intravascular hemolysis activates complement via cell-free heme and heme-loaded microvesicles
Published in JCI insight (21-06-2018)“…In hemolytic diseases, such as sickle cell disease (SCD), intravascular hemolysis results in the release of hemoglobin, heme, and heme-loaded membrane…”
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Impact of substituents on molecular properties and catalytic activities of trinuclear Ru macrocycles in water oxidation
Published in Chemical science (Cambridge) (07-08-2020)“…Herein we report a broad series of new trinuclear supramolecular Ru(bda) macrocycles bearing different substituents at the axial or equatorial ligands which…”
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Voluminous eruption from a zoned magma body after an increase in supply rate at Axial Seamount
Published in Geophysical research letters (16-12-2016)“…Axial Seamount is the best monitored submarine volcano in the world, providing an exceptional window into the dynamic interactions between magma storage,…”
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Energy Transfer Between Squaraine Polymer Sections: From Helix to Zigzag and All the Way Back
Published in Journal of the American Chemical Society (24-06-2015)“…We provide a joint experimental and theoretical study of squaraine polymers in solution. The absorption spectra show evidence that two different conformations…”
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Diffuse reflectance spectroscopy of the spine: improved breach detection with angulated fibers
Published in Biomedical optics express (01-02-2023)“…Accuracy in spinal fusion varies greatly depending on the experience of the physician. Real-time tissue feedback with diffuse reflectance spectroscopy has been…”
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