Publications related to Staggered conformation

Ru(II)-Arene Complexes of Curcumin and Bisdesmethoxycurcumin Metabolites

Paul Joseph Dyson, Farzaneh Fadaei Tirani, Mouna Hadiji

Curcuminoids and their complexes continue to attract attention in medicinal chemistry, but little attention has been given to their metabolic derivatives. Here, the first examples of (arene)Ru(II) complexes with curcuminoid metabolites, tetrahydrocurcumin ...

Amer Chemical Soc2024

Membrane specificity of the human cholesterol transfer protein STARD4

Charlotte Julie Caroline Gehin

STARD4 regulates cholesterol homeostasis by transferring cholesterol between the plasma membrane and endoplasmic reticulum. The STARD4 structure features a helix-grip fold surrounding a large hydrophobic cavity holding the sterol. Its access is controlled ...

Academic Press Ltd- Elsevier Science Ltd2024

Is a Single Conformer Sufficient to Describe the Reorganization Energy of Amorphous Organic Transport Materials?

Anne-Clémence Corminboeuf, Iwona Swiderska, Kun-Han Lin, Raimon Fabregat I De Aguilar-Amat, Jacob Terence Blaskovits, Hélène Wu

The reorganization energy (lambda), which quantifies the structural rearrangement of a molecule when accommodating a charge, is a key parameter in the evaluation of charge mobility in molecular solids. However, it is unclear how lambda is influenced by con ...

AMER CHEMICAL SOC2021

Combining Ion Mobility and Cryogenic Spectroscopy for Structural and Analytical Studies of Biomolecular Ions

Thomas Rizzo, Michael Zachary Kamrath

Ion mobility spectrometry (IMS) has become a valuable tool in biophysical and bioanalytical chemistry because of its ability to separate and characterize the structure of gas-phase biomolecular ions on the basis of their collisional cross section (CCS). It ...

2018

Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold

Kai Johnsson, Alberto Schena

Attempts to create novel ligand-binding proteins often focus on formation of a binding pocket with shape complementarity against the desired ligand (particularly for compounds that lack distinct polar moieties). Although designed proteins often exhibit bin ...

OXFORD UNIV PRESS2018

Semiaromatic Polyamides and Copolyamides Comprising Kinked Repeating Units

Julien Philippe Cretenoud

The replacement of metals with polymer-based materials is considered to be key to reducing weight, cost, and cycle times in different technological applications, including the automotive and aerospace industries. Semiaromatic polyamides are particularly at ...

EPFL2018

Potent Prearranged Positive Allosteric Modulators of the Glucagon-like Peptide-1 Receptor

Rosario Scopelliti, Johannes Broichhagen

Drugs that allosterically modulate G protein-coupled receptor (GPCR) activity display higher specificity and may improve disease treatment. However, the rational design of compounds that target the allosteric site is difficult, as conformations required fo ...

Wiley-V C H Verlag Gmbh2017

Toward an Effective Control of DNA's Submolecular Conformation on a Surface

Giovanni Dietler, Dusan Vobornik, Aleksandre Japaridze, Andrea Cerreta, Ewelina Wioletta Lipiec

DNA adopts different conformations based on its environment. We reveal conditions that either preserve the DNA's physiological B-conformation, even upon its placement in UHV, or lead to a partial B-form to A-form reorganization upon DNA's deposition on a s ...

American Chemical Society2016

IR-induced conformational isomerization of a helical peptide in a cold ion trap

Thomas Rizzo, Aleksandra Zabuga, Caroline Seaiby, Annette Svendsen

In this work we use laser-induced population transfer techniques to study the conformational isomerization of a helical peptide, Ac-Phe-(Ala)5-LysH+, in a cold ion trap. In one scheme, called IR-UV hole-filling spectroscopy, a single conformation is select ...

American Institute of Physics2016

Dinuclear DOTA-Based Gd-III Chelates - Revisiting a Straightforward Strategy for Relaxivity Improvement

Lothar Helm, Shima Karimi

The need for magnetic resonance imaging (MRI) contrast agents with improved relaxivity maintains the development of new Gd-III chelates as an intensive and demanding field of research. In this work, we introduce the new dimeric chelators bis{1,4,7,10-tetra ...

Wiley-Blackwell2015

Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(II) organometallics

Paul Joseph Dyson, Rosario Scopelliti, Laure Menin, Benjamin Samuel Murray

Dinuclear metal complexes have emerged as a promising class of biologically active compounds which possess unique anticancer activity. Here, we describe a novel series of arene-linked dinuclear organometallic Ru(II) complexes, where the relative conformati ...

2014

Direct Evaluation of the Hyperconjugative Interactions in 1,1,1-Trihaloethane (CH3CX3, X = F, Cl, and Br)

Anne-Clémence Corminboeuf, Zhenhua Chen

Following the computational strategy proposed by Mulliken in 1939 (J. Chem. Phys. 1939, 7 (5), 339-352), when the concept of hyperconjugation was coined, we evaluated the hyperconjugative stabilization energy in 1,1,1-trihaloethane using the block-localize ...

Amer Chemical Soc2014

Increasing the Efficiency of Ligands for FK506-Binding Protein 51 by Conformational Control

Ranganath Gopalakrishnan

The design of efficient ligands remains a key challenge in drug discovery. In the quest for lead-like ligands for the FK506-binding protein 51 (FKBP51), we designed two new classes of bicyclic sulfonamides to probe the contribution of conformational energy ...

Amer Chemical Soc2013

Semisynthetic Fluorescent Sensor Proteins Based on Self-Labeling Protein Tags

Matthias Albert Brun

Genetically encoded fluorescent sensor proteins offer the possibility to probe the concentration of key metabolites in living cells. The approaches currently used to generate such fluorescent sensor proteins lack generality, as they require a protein that ...

EPFL2011

Characterization of the Flow Generated in an Annular Test Facility

Peter Ott, Elia Colombo, Dominique Charbonnier, Cécile Deslot

Annular cascades are particularly useful to study the three dimensional phenomena encountered in turbomachines. The Non-Rotating Annular Test Facility of the Swiss Federal Institute of Technology in Lausanne (EPFL) consists in a radial-axial inlet nozzle a ...

2011

Semisynthetic fluorescent sensor proteins based on self-labeling protein tags

Kai Johnsson, Marlon Hinner, Matthias Albert Brun, Kui Thong Tan

Genetically encoded fluorescent sensor proteins offer the possibility to probe the concentration of key metabolites in living cells. The approaches currently used to generate Such fluorescent sensor proteins lack. generality, as they require a protein that ...

2009

Spectroscopic studies of cold, gas-phase biomolecular ions

Thomas Rizzo, Oleg Boyarkine

While the marriage of mass spectrometry and laser spectroscopy is not new, developments over the last few years in this relationship have opened up new horizons for the spectroscopic study of biological molecules. The combination of electrospray ionization ...

2009

Multiple-resonance spectroscopy of high vibrational levels in water and methanol

Pavlo Maksyutenko

We have measured the rovibrational levels in the electronic ground state of the water molecule at the previously inaccessible energies above 26000 cm-1. The use of laser double-resonance overtone excitation combined with laser-induced fluorescence (LIF) ph ...

EPFL2008

State-specific studies of internal mixing in a prototypical flexible bichromophore: Diphenylmethane

Laser-induced fluorescence, resonant two-photon ionization, UV-UV hole burning, UV depletion, and single vibronic level fluorescence (SVLF) spectra of jet-cooled diphenylmethane (DPM) have been recorded over the 37 300 - 38 400 cm(-1) region that encompass ...

2008

Conformational dependence of intramolecular vibrational redistribution in methanol

Thomas Rizzo, Oleg Boyarkine, Pavlo Maksyutenko

Previous state-selected spectra of methanol in the 5ν1 OH stretch overtone region [O. V. Boyarkin, T. R. Rizzo, and D. S. Perry, J. Chem. Phys. 110 (23), 11346 (1999)] revealed structure indicating intramolecular vibrational redistribution (IVR) on three t ...

2007