Publications related to Aromatic ring current

A Simple, Transition Metal Catalyst-Free Method for the Design of Complex Organic Building Blocks Used to Construct Porous Metal-Organic Frameworks

Wendy Lee Queen, Jordi Espin Marti, Till Marian Schertenleib, Nazanin Taheri, Ilia Kochetygov, Anita Justin, Jocelyn Richard Roth, Sophia Alessandra Pache

The design of metal-organic frameworks (MOFs) having large pore sizes and volumes often requires the use of complex organic ligands, currently synthesized using costly and time-consuming palladium-catalyzed coupling chemistry. Thus, in the present work, a ...

Wiley-VCH Verlag GmbH2023

Incorporation of Lignin in Bio-Based Resins for Potential Application in Fiber-Polymer Composites

Mário Alexandre De Jesus Garrido, Mateus De Assunção Hofmann

Bio-based resins, obtained from renewable raw materials, are a more sustainable alternative to oil-based resins for fiber-reinforced polymer (FRP) composites. The incorporation of lignin in those resins has the potential to enhance their performance. This ...

MDPI2023

Identification of Isomeric Lipids by UV Spectroscopy of Noncovalent Complexes with Aromatic Molecules

Oleg Boyarkine, Ruslan Yamaletdinov

The tremendous structural and isomeric diversity of lipids enables a wide range of their functions in nature but makes the identification of these biomolecules challenging. We distinguish and quantify isomeric lipids using cold ion UV fragmentation spectro ...

AMER CHEMICAL SOC2021

Diformylxylose as a new polar aprotic solvent produced from renewable biomass

Jeremy Luterbacher, Anastasiia Komarova, Graham Reid Dick

Lignin is a promising candidate for the replacement of fossil-based materials, due to its natural abundance and aromatic structure. This same structure poses major challenges to lignin's exploitation for material development. The harsh conditions generally ...

2021

Constraining the response factors of an extractive electrospray ionization mass spectrometer for near-molecular aerosol speciation

Julia Schmale, Imad El Haddad, Yandong Tong

Online characterization of aerosol composition at the near-molecular level is key to understanding chemical reaction mechanisms, kinetics, and sources under various atmospheric conditions. The recently developed extractive electrospray ionization time-of-f ...

2021

Structural and analytical identifications of biomolecules by cold ion spectroscopy of non-covalent complexes

Erik Saparbayev

Non-covalent interactions are ubiquitous in nature. The diversity and functionality of these interactions are employed by nature as a universal tool for building the molecular mechanism of life. Although weak, these interactions play a key role in both for ...

EPFL2021

Valorization of biomass derivatives through the conversion of phenol over silica-supported Mo-Re oxide catalysts

Ricardo Javier Serpell Carriquiry

Liquid-phase hydrodeoxygenation of phenol over silica-supported MoOx-ReOx catalysts was investigated at 300 degrees C and 5 MPa of H-2. Mixed-oxides catalysts with similar surface metal density (2.3 atoms of metal per nm(2) of SiO2) but different relative ...

2020

Catalyst design for C-O bond hydrogenolysis of renewable materials

Antoine Philippe Van Muyden

Anthropogenic carbon dioxide emissions leading to climate change require to use of renewable carbon sources such as CO2 and biomass which differ from fossil resources by having a higher number of oxygen atoms. Therefore, catalytic C-O bond cleavage will pl ...

EPFL2020

Azide Radical Initiated Ring Opening of Cyclopropenes Leading to Alkenyl Nitriles and Polycyclic Aromatic Compounds

Jérôme Waser, Bastian Antoine Rodolphe Claude Muriel

We report herein a radical‐mediated amination of cyclopropenes. The transformation proceeds through a cleavage of the three‐membered ring after the addition of an azide radical on the strained double bond and leads to tetrasubstituted alkenyl nitrile deriv ...

Wiley-VCH Verlag GmbH2020

Even-odd conductance effect in graphene nanoribbons induced by edge functionalization with aromatic molecules: basis for novel chemosensors

Oleg Yazyev, Michele Pizzochero, Kristians Cernevics

We theoretically investigate the electron transport in armchair and zigzag graphene nanoribbons (GNRs) chemically functionalized withp-polyphenyl and polyacene groups of increasing length. Our nearest-neighbor tight-binding calculations indicate that, depe ...

2020

Lignin Functionalization for the Production of Novel Materials

Jeremy Luterbacher, Stefania Bertella

Lignin, a major constituent of lignocellulosic biomass, is the largest natural source of aromatic molecules and thus is an attractive feedstock for renewable chemical production. Direct incorporation of isolated lignin into materials has long been research ...

2020

Preventing Lignin Condensation to Facilitate Aromatic Monomer Production

Jeremy Luterbacher, Wu Lan

Lignin is the most abundant aromatic polymer in nature and as such is an attractive source of aromatic molecules. Efficient lignin utilization will also likely play a key role in the economic success and sustainability of biomass valorization schemes. Howe ...

2019

Production and characterization of stabilized lignin

Masoud Talebi Amiri

Lignocellulosic biomass is a sustainable source of renewable carbon, and it is the most abundant form of terrestrial biomass. The three main constituents of lignocellulosic biomass are cellulose, hemicellulose, and lignin. The monomers from these biopolyme ...

EPFL2019

Interplay of H-Bonds with Aromatics in Isolated Complexes Identifies Isomeric Carbohydrates

Oleg Boyarkine, Ruslan Yamaletdinov, Vladimir Kopysov, Aleksandr Pereverzev

The tremendous isomeric diversity of carbohydrates enables a wide range of their biological functions but makes the identification and study of these molecules difficult. We investigated the ability of intermolecular interactions to communicate structural ...

Wiley-VCH Verlag GmbH2019

Selective Catalytic Reduction of NOx

Oliver Kröcher

The deactivation pathways of sulfonated carbon catalysts prepared from different carbons were studied during the aqueous‐phase hydrolysis of cellobiose under continuous‐flow conditions. The sulfonation of carbon materials with a low degree of graphitizatio ...

2018

Deactivation and Regeneration of Sulfonated Carbon Catalysts in Hydrothermal Reaction Environments

Oliver Kröcher, Frédéric Vogel

The deactivation pathways of sulfonated carbon catalysts prepared from different carbons were studied during the aqueous‐phase hydrolysis of cellobiose under continuous‐flow conditions. The sulfonation of carbon materials with a low degree of graphitizatio ...

2018

Developing Reactions of Strained Rings : Enantioselective Desymmetrization of meso-Diaminocyclopropanes and Annulation of Donor-Acceptor Aminocyclobutanes

Daniele Perrotta

Carbo- and heterocyclic structures containing nitrogen-substituted stereocenters are recurrent structural motifs in natural and bioactive compounds, therefore constituting a privileged class of synthetic targets. In this regard, substituted three- and four ...

EPFL2018

Functional hole transport materials for optoelectronic and/or electrochemical devices

Michael Graetzel, Mohammad Khaja Nazeeruddin, Michael Saliba

The present invention relates to a compound of formula (I) based on a structure comprising functionalized spirofluorene and fused aromatics or non-aromatic rings with at least one heteroatom, and used as hole transporting material in a optoelectronic and/o ...

2016

Resonance Energy Transfer Relates the Gas-Phase Structure and Pharmacological Activity of Opioid Peptides

Oleg Boyarkine, Vladimir Kopysov

Enkephalins are efficient pain-relief drugs that bind to transmembrane opioid receptors. One key structural param- eter that governs the pharmacological activity of these opioid peptides and is typically determined from condensed-phase structures is the di ...

Wiley-Blackwell2016

Development of prediction models for the reactivity of organic compounds with ozone in aqueous solution by quantum chemical calculations: Role of delocalized and localized molecular orbitals

Urs von Gunten, Minju Lee, Jeremy Samuel Arey, Saskia Gisela Zimmermann-Steffens, Kathrin Fenner

Second-order rate constants (k(O3)) for the reaction of ozone with micropollutants are essential parameters for the assessment of micropollutant elimination efficiency during ozonation in water and wastewater treatment. Prediction models for k(O3) were dev ...

Amer Chemical Soc2015