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

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Combining ultra-high resolution ion-mobility spectrometry with cryogenic IR spectroscopy for the study of biomolecular ions

Thomas Rizzo, Ahmed Ben Faleh, Robert Paul Pellegrinelli, Natalia Yalovenko, Stephan Warnke

Double-resonance spectroscopic schemes in combination with cryogenic ion traps are the go-to techniques when isomer-specific high-resolution spectra are required for analysis of molecular ions. Their limitation lies in the requirement for well-resolved, is ...

2019

Rapid Structure Determination of Molecular Solids Using Chemical Shifts Directed by Unambiguous Prior Constraints

Arthur César Pinon, David Lyndon Emsley, Albert Hofstetter, Federico Maria Paruzzo, Martins Balodis

NMR-based crystallography approaches involving the combination of crystal structure prediction methods, ab initio calculated chemical shifts and solid-state NMR experiments are powerful methods for crystal structure determination of microcrystalline powder ...

2019

Small Molecule Activation by Multimetallic Uranium Complexes

Marta Falcone

The development of new processes for the selective and sustainable transformation of abundant small molecules constitutes one of the major research areas in inorganic and organometallic chemistry. These molecules as CO2, CO, N2 and H2 are abundant reservoi ...

EPFL2019

The atomic-resolution crystal structure of activated [Fe]-hydrogenase

Matthew Wodrich, Xile Hu

Hydrogenases are promising templates for constructing new H-2-based catalysts. [Fe]-hydrogenase, which features an ironguanylylpyridinol (FeGP) cofactor, catalyses a reversible hydride transfer from H-2 to methenyl-tetrahydromethanopterin (methenyl-H4MPT+, ...

NATURE PUBLISHING GROUP2019

A catalytically active [Mn]-hydrogenase incorporating a non-native metal cofactor

Matthew Wodrich, Xile Hu, Farzaneh Fadaei Tirani, Huijie Pan

Nature carefully selects specific metal ions for incorporation into the enzymes that catalyse the chemical reactions necessary for life. Hydrogenases, enzymes that activate molecular H-2, exclusively utilize Ni and Fe in [NiFe]-, [FeFe]- and [Fe]-hydrogean ...

2019

Rh-I, Ir-III ,and Co-III Complexes with Atropchiral Biaryl Cyclopentadienyl Ligands: Syntheses, Structures, and Catalytic Activities

Nicolai Cramer, Gints Smits, Coralie Danielle Annick Duchemin

Chiral cyclopentadienyl (Cp-x) group 9 metal complexes have become versatile catalysts for a variety of efficient enantioselective C-H functionalizations. Atropchiral binaphthyl-derived Cp-x ligands having tuning options at the 3,3'-positions present a rob ...

2019

Versatile coordination of acetazolamide to ruthenium(ii) p-cymene complexes and preliminary cytotoxicity studies

Paul Joseph Dyson, Lucinda Kate Batchelor

The carbonic anhydrase inhibitor acetazolamide (AcmH2) reacted with [(η6-p-cymene)RuCl(μ-Cl)]2 to afford [(η6-p-cymene)RuCl2(κN-AcmH2)], 1A, in near-quantitative yield. In methanol, 1A exists in equilibrium with 1B, being probably a coordination isomer, as ...

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

Can Mutational Analysis Be Used To Assist Structure Determination of Peptides?

Thomas Rizzo, Liudmila Voronina, Chiara Masellis, Valeriu Scutelnic

Mutational analysis is widely used to study the relationship between sequence and structure of proteins and peptides. It is often assumed that substituting a proline with another amino acid "locks" the peptide bond in the trans conformation, allowing only ...

2018

Microhydration of Dibenzo-18-Crown-6 Complexes with K+, Rb+, and Cs+ Investigated by Cold UV and IR Spectroscopy in the Gas Phase

Thomas Rizzo, Yoshiya Inokuchi

In this Article, we examine the hydration structure of dibenzo-18-crown-6 (DB18C6) complexes with K+, Rb+, and Cs+ ion in the gas phase. We measure well-resolved UV photodissociation (UVPD) spectra of K+·DB18C6·(H2O)n, Rb+·DB18C6·(H2O)n, and Cs+·DB18C6·(H2 ...

2018

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

Mapping the conformational free energy of aspartic acid in the gas phase and in aqueous solution

Michele Ceriotti, Kevin Rossi

The conformational free energy landscape of aspartic acid, a proteogenic amino acid involved in a wide variety of biological functions, was investigated as an example of the complexity that multiple rotatable bonds produce even in relatively simple molecul ...

American Institute of Physics2017

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