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Related publications (30)

Improving the binding affinity of in-vitro-evolved cyclic peptides by inserting atoms into the macrocycle backbone

Christian Heinis, Jonas Alfred Karl Wilbs, Simon Jan Middendorp

Cyclic peptides binding to targets of interest can be generated efficiently with powerful in vitro display techniques, such as phage display or mRNA display. The cyclic peptide libraries screened with these methods are generated by altering in a combinator ...

2016

Technical Note: Development of chemoinformatic tools to enumerate functional groups in molecules for organic aerosol characterization

Satoshi Takahama, Giulia Ruggeri

Functional groups (FGs) can be used as a reduced representation of organic aerosol composition in both ambient and controlled chamber studies, as they retain a certain chemical specificity. Furthermore, FG composition has been informative for source apport ...

Copernicus GmbH2016

Cationic Iridium(III) Complexes with Two Carbene-Based Cyclometalating Ligands: Cis Versus Trans Isomers

Michael Graetzel, Mohammad Khaja Nazeeruddin, Rosario Scopelliti

A series of cationic iridium(III) complexes with two carbene-based cyclometalating ligands and five different NN bipyridine and 1,10-phenanthroline ancillary ligands is presented. For the first time in the frame of a rarely studied class of bis(heterole ...

Amer Chemical Soc2015

Synthesis, structural determination, theoretical studies and catalytic activity of Mn(II) complex of N-isonicotinyl phosphoric triamide ligand

Kurt Schenk, Farzaneh Fadaei Tirani

synthesized and characterized by H-1, C-13, P-31 NMR and IR spectroscopies. The reaction of MnCl2 center dot 4H(2)O with L led to the formation of a new 3D system {MnL2Cl2}(n)center dot 34CH(3)OH (C-1). X-ray crystallographic data revealed that the ligand ...

Elsevier Science Sa2015

Molecular Hydrogen Messengers Can Lead to Structural Infidelity: A Cautionary Tale of Protonated Glycine

Thomas Rizzo, Antoine Louis Claude Masson, Evan Rowland Williams

The effects of tagging protonated glycine with either He or with between 1 and 14 H2 molecules on the infrared photodissociation (IRPD) spectra and the ion structure was investigated. Differences in the IR spectra with either a single He atom or H2 molecul ...

American Institute of Physics2015

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

The Ligand-Based Quintuple Bond-Shortening Concept and Some of Its Limitations

Tobias Bauer

Herein, the ligand-based concept of shortening quintuple bonds and some of its limitations are reported. In dichromium-diguanidinato complexes, the length of the quintuple bond can be influenced by the substituent at the central carbon atom of the used lig ...

Wiley-V C H Verlag Gmbh2013

Multiple Isomers and Protonation Sites of the Phenylalanine/Serine Dimer

Thomas Rizzo, Ulrich Lorenz

Our investigation of the phenylalanine/serine (Phe/Ser) protonated dimer suggests that the intermolecular interaction between the two amino acids is more complex than could have been anticipated from previous studies of similar systems. Isomer-specific inf ...

2012

Reactivity and Biological Properties of a Series of Cytotoxic PtI2(amine)(2) Complexes, Either cis or trans Configured

Angela Casini

Six diiodido-diamine platinum(II) complexes, either cis or trans configured, were prepared, differing only in the nature of the amine ligand (isopropylamine, dimethylamine, or methylamine), and their antiproliferative properties were evaluated against a pa ...

2012

Search for the largest two-dimensional aggregates of boron: An ab initio study

Zhen Zhu

We use ab initio density functional calculations to investigate the structural stability and vibrational spectra of small boron aggregates in different charge states. In search of candidates for the largest stable 2D boron aggregates, we focus on systems w ...

2011

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