Novel inhibitors of kallikrein proteases and uses thereof

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This paper describes the synthesis of supramolecular polymer brushes via surface-initiated polymerization from adamantane-functionalized initiators that are noncovalently bound to beta-cyclodextrin- or cucurbit[7]uril-modified substrates. Surface-initiated ...

In this paper, we quantify weak protein-protein interactions in solution using cross-interaction chromatography (CIC) and surface plasmon resonance (SPR) and demonstrate that they can be modulated by the addition of millimolar concentrations of free amino ...

Ought to their bioinert properties and facile synthesis, poly[(oligoethylene glycol)methacrylate]s (POEGMAs) have been raised as attractive alternatives to poly(ethylene glycols) (PEGs) in an array of (bio)material applications, especially when they are ap ...

Activation of the dinitrogen triple bond is a crucial step in the overall fixation of atmospheric nitrogen into usable forms for industrial and biological applications. Current synthetic catalysts incorporate metal ions to facilitate the activation and cle ...

We present a first-principles investigation of the structural, electronic, and magnetic properties of the pristine and Fe-doped alpha-MnO2 using density-functional theory with extended Hubbard functionals. The onsite U and intersite V Hubbard parameters ar ...

Nitrogen-containing compounds are an important class of molecules in medicinal chemistry, chemical biology, biochemistry, material sciences or environmental sciences. Organic nitrogen occurs in many forms, ranging from small building blocks such as urea, a ...

Organic radicals are highly active species that can undergo various transformations. Electrochemistry and photochemistry are efficient methods for the generation of these species of high energy, through single electron transfer processes under mild conditi ...

Described is a compound having the structure (I), (II) or (V), Formulae(I), (II), (V), wherein R1 is -H, -CH2OH or -CH(OH)CH2OH; R2 is -H, -OH, or -CH2OH; R3 is -H, -OH, or -CH2OH; n is 0 or 1; p is 0 or 1; R10 is hydrogen or a hydrocarbon moiety with 1 to ...

Organic semiconductors are important components for applications in different fields of technology, as their advantages include the possibility of low-temperature processing as well as low-cost, large-area manufacturing based on solution-based processes, c ...

In this contribution, recent advances in the construction of MOF-polymer composites and their corresponding applications are briefly reviewed. The appearance of such architectures is becoming prominent in recent literature, due to the fact that the union o ...

The synthesis and reactivity of uranium compounds supported by the tris-tert-butoxysiloxide ligand is surveyed. The multiple binding modes of the tert-butoxysiloxide ligand have proven very well suited to stabilize highly reactive homo- and heteropolymetal ...

Predictive computational methods have the potential to significantly accelerate the discovery of new materials with targeted properties by guiding the choice of candidate materials for synthesis. Recently, a planar pyrrole-based azaphenacene molecule (pyri ...

Nowadays, the development of cell therapy relies mainly on the advances made toward cell microencapsulation which allows to evade the need for immunosuppression during cell transplantation. Among the materials considered for cell encapsulation, hydrogels d ...

The intrinsic structures of biomolecules in the gas phase may not reflect their native solution geometries. Microsolvation of the molecules bridges the two environments, enabling a tracking of molecular structural changes upon hydration at the atomistic le ...

The present work is part of a series of papers aiming at a thorough understanding of the thermodynamics of metabolism over a broad range of external conditions. The focus here is on the systematic study of solvation/hydration of a variety of fluids via an ...

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 ...

Studying solvation of a large molecule on an atomic level is challenging because of the transient character and inhomogeneity of hydrogen bonding in liquid water. We studied water clusters of a protonated macrocyclic decapeptide, gramicidin S, which were p ...

A series of lanthanide complexes [LnClx(bpy)y(H2O)z]Cl3-x(H2O)n(EtOH)m (Ln ) Eu, Gd, Tb; x ) 1, 2; y ) 1, 2; z ) 2-4) with different numbers of 2,2′-bipyridine (bpy), chloride ions, and water molecules in the inner coordination sphere were synthesized and ...

In the framework of this thesis self-assembled supramolecular architectures of several molecular species on crystal metal surfaces are characterized. These investigations combine results obtained by means of scanning tunneling microscopy (STM), scanning tu ...

Although labile protons that are exchanging rapidly with those of the solvent cannot be observed directly, their exchange rate constants can be determined by indirect detection of scalar-coupled neighboring nuclei. We have used heteronuclear NMR spectrosco ...

Novel inhibitors of kallikrein proteases and uses thereof

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Supramolecular Polymer Brushes Grafted via Atom Transfer Radical Polymerization from Surfaces Presenting Non-covalent, Host-Guest Complex-Based Initiators

Modulating Weak Protein-Protein Cross-Interactions by the Addition of Free Amino Acids at Millimolar Concentrations

The Structural Dispersity of Oligoethylene Glycol-Containing Polymer Brushes Determines Their Interfacial Properties

Computational investigation of functionalized carbenes on dinitrogen activation

Pivotal Role of Intersite Hubbard Interactions in Fe-Doped alpha-MnO2

Ring-Opening Reactions of Aminocyclopropanes and Aminocyclobutanes

Copper-catalyzed transformations of carboradicals generated by electrochemical and photochemical methods: oxidative amination and polyfluoroarylation

Renewable monomer and polymer thereof

Hydrogen-Bonded Small Molecules and Polymers in Organic Electronics

Enhancing MOF performance through the introduction of polymer guests

Small molecule activation by multimetallic uranium complexes supported by siloxide ligands

Large-Scale Computational Screening of Molecular Organic Semiconductors Using Crystal Structure Prediction

Development of functionalized alginate-based hydrogels to reduce fibrosis in the transplantation of microencapsulated cells

A Decapeptide Hydrated by Two Waters: Conformers Determined by Theory and Validated by Cold Ion Spectroscopy

Molecular thermodynamics of metabolism: hydration quantities and the equation-of-state approach

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

Interplay of Intra- and Intermolecular H-Bonding in a Progressively Solvated Macrocyclic Peptide

Intermolecular Interactions as Actors in Energy-Transfer Processes in Lanthanide Complexes with 2,2′-Bipyridine

Growth and characterization of specific self-assembled supramolecular architectures at crystal surfaces

Exchange Rate Constants of Invisible Protons in Proteins Determined by NMR Spectroscopy