Publications associées à Nucleobase

Characterizing Conical Intersections in DNA/RNA Nucleobases with Multiconfigurational Wave Functions of Varying Active Space Size

We characterize the photochemically relevant conical intersections between the lowest-lying accessible electronic excited states of the different DNA/RNA nucleobases using Cholesky decomposition-based complete active space self-consistent field (CASSCF) al ...

Amer Chemical Soc2023

Recycling of Polymerase Chain Reaction (PCR) Kits

Francesco Stellacci, Yong Zhu, Weina Liu

Polymerase chain reaction (PCR) kits have been used as common diagnosing tools during the outbreak of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) pandemic, with daily worldwide usage in the millions. It is well known that at the beginn ...

AMER CHEMICAL SOC2023

Ozonation of lake water and wastewater: Identification of carbonous and nitrogenous carbonyl-containing oxidation byproducts by non-target screening

Urs von Gunten, Joanna Maria Houska

Ozonation of drinking water and wastewater is accompanied by the formation of disinfection byproducts (DBPs) such as low molecular weight aldehydes and ketones from the reactions of ozone with dissolved organic matter (DOM). By applying a recently develope ...

PERGAMON-ELSEVIER SCIENCE LTD2023

Recombinant Full-Length TDP-43 Oligomers Retain Their Ability to Bind RNAs, Are Not Toxic, and Do Not Seed TDP-43 Aggregation in Vitro

Hilal Lashuel, Yllza Jasiqi, Lixin Yang

TAR DNA-binding protein with 43 kD (TDP-43) is a partially disordered protein that misfolds and accumulates in the brains of patients affected by several neurodegenerative diseases. TDP-43 oligomers have been reported to form due to aberrant misfolding or ...

Amer Chemical Soc2023

AMP-activated Protein Kinase (AMPK): New molecular insights and novel downstream targets

Katyayanee Neopane

AMP-activated Protein Kinase (AMPK) is a central regulator of energy homeostasis and a promising drug target for metabolic disorders. It exists as complexes of three subunits, a catalytic alpha, and two regulatory beta and gamma subunits. The regulation of ...

EPFL2022

Electronic and structural dynamics in DNA single strands

Benjamin Bauer

The absorption, conversion and transport of electronic energy in molecular aggregates is at the heart of many important natural and artificial photochemical systems, including organic solar cell materials, photosynthetic light-harvesting complexes and DNA ...

EPFL2021

Polymer or polycondensate based on peptide, linker and optionally other monomers and method for preparing the same

Li Tang, Lixia Wei, Yu Zhao

The present invention concerns a method for producing polymers suitable as carrier-free delivery system of bioactive molecules, in particular bioactive peptides. The method comprises the polycondensation of one or more different monomers, including monomer ...

2021

Functional and Computational Genomics Reveal Unprecedented Flexibility in Stage-Specific Toxoplasma Metabolism

Vassily Hatzimanikatis, Anush Chiappino-Pepe, Matteo Lunghi, Damien Lionel Nicolas, Aarti Krishnan, Dominique Soldati-Favre

To survive and proliferate in diverse host environments with varying nutrient availability, the obligate intracellular parasite Toxoplasma gondii reprograms its metabolism. We have generated and curated a genome-scale metabolic model (iTgo) for the fast-re ...

CELL PRESS2020

Shear Stress-Responsive Polymersome Nanoreactors Inspired by the Marine Bioluminescence of Dinoflagellates

Esther Amstad, Antoine Claude Jean Vian

Some marine plankton called dinoflagellates emit light in response to the movement of surrounding water, resulting in a phenomenon called milky seas or sea sparkle. The underlying concept, a shear-stress induced permeabilisation of biocatalytic reaction co ...

Wiley-VCH Verlag GmbH2021

Electronic Relaxation Dynamics of UV-Photoexcited 2-Aminopurine-Thymine Base Pairs in Watson-Crick and Hoogsteen Conformations

Rebecca Ann Ingle, Hugo Jean Baptiste Marroux

The fluorescent analogue 2-aminopurine (2AP) of the canonical nucleobase adenine (6-aminopurine) base-pairs with thymine (T) without disrupting the helical structure of DNA. It therefore finds frequent use in molecular biology for probing DNA and RNA struc ...

AMER CHEMICAL SOC2019

Quantum mechanical static dipole polarizabilities in the QM7b and AlphaML showcase databases

Michele Ceriotti, David Mark Wilkins, Andrea Grisafi, Yang Yang

While density functional theory (DFT) is often an accurate and efficient methodology for evaluating molecular properties such as energies and multipole moments, this approach often yields larger errors for response properties such as the dipole polarizabil ...

2019

Exciton dynamics in DNA oligomers studied by broadband deep-UV transient absorption spectroscopy

Majed Chergui, Malte Oppermann, Benjamin Bauer

We report broadband transient absorption measurements of adenine strands in the deep-UV (250-370 nm). By varying the strand length we resolve the interplay between inter-base stacking and exciton formation and dynamics in DNA oligomers. ...

E D P SCIENCES2019

From structure to application: studies on adenine-, pyrene- and lanthanide-based metal-organic frameworks

Andrzej Gladysiak

Metal-organic frameworks (MOFs) are coordination polymer materials in which inorganic metal ions or clusters are linked with multitopic organic ligands by means of coordination bonds. Their structural versatility allows for design of materials based on pre ...

EPFL2019

Re-assessing the Formation of N-nitrosamines during Chloramination of Various Nitrogenous Compounds using Specific and Total N-nitrosamines Analysis

Urs von Gunten, Florian Frédéric Vincent Breider, Andrea Piazzoli

N-nitrosamines (NOAs) are potent carcinogenic and mutagenic compounds that can be present in water, biological fluids, food, consumer products and cigarette smoke. Several studies have shown that the formation of NOAs in water can arise from the reactions ...

2018

First-Principles Photoemission Spectroscopy of DNA and RNA Nucleobases from Koopmans-Compliant Functionals

Nicola Marzari, Giovanni Borghi, Andrea Ferretti

The need to interpret ultraviolet photoemission data strongly motivates the refinement of first-principles techniques that are able to accurately predict spectral properties. In this work, we employ Koopmans-compliant functionals, constructed to enforce pi ...

Amer Chemical Soc2016

Effect of Very High Charge Density and Monomer Constitution on the Synthesis and Properties of Cationic Polyelectrolytes

Jutta Christine Wandrey, Ricardo Losada Mateo, Hamideh Ahmadloo

The free-radical homopolymerization of 1,3-bis(N,N,N-trimethylammonium)-2-propylmethacrylate dichloride (di-M) and 1,3-bis(N,N,N-trimethylammonium)-2-propylacrylate dichloride (di-A) in aqueous solution yields cationic polyelectrolytes (PEL) with theoretic ...

Mdpi Ag2016

[4+2]-Annulations of Aminocyclobutanes

Jérôme Waser, Florian Patrick Marie Daniel De la Barre De Nanteuil, Sophie Lucie Racine, Jérémy Vuilleumier, Daniele Perrotta

The first [4 + 2]-annulation between aminocyclobutanes and aldehydes to access tetrahydropyranyl amines is reported. With phthalimido cyclobutane dicarboxylates and aromatic aldehydes, tetrahydropyrans were obtained in 53-92% yield and 3:1-17:1 dr using sc ...

American Chemical Society2015

Photophysics and Photochemistry of a DNA–Protein Cross-Linking Model: A Synergistic Approach Combining Experiments and Theory

Ursula Röthlisberger, Ivano Tavernelli, Sara Bonella, Mohammadhassan Valadan

The photophysical and photochemical properties of 5-benzyluracil and 5,6-benzyluracil, the latter produced by photocyclization of the former through irradiation with femtosecond UV laser pulses, are investigated both experimentally and theoretically. The a ...

2014

Taming Hypervalent Bonds and Strained Rings for Catalysis and Synthesis

Jérôme Waser, Reto Frei, Florian Patrick Marie Daniel De la Barre De Nanteuil, Yifan Li, Sophie Lucie Racine, Maria Victoria Vita, Eloísa Sofía Serrano Robledo

Improving the synthesis of complex organic molecules is essential for progress in many fields such as medicine, agrochemicals or materials. Since 2007, our laboratory has been focusing on the development of non-classical bond disconnections based on the us ...

2014

Widespread Signals of Convergent Adaptation to High Altitude in Asia and America

Matthieu Foll

Living at high altitude is one of the most difficult challenges that humans had to cope with during their evolution. Whereas several genomic studies have revealed some of the genetic bases of adaptations in Tibetan, Andean, and Ethiopian populations, relat ...

Cell Press2014