We report on self-assembly of guanosines with aromatic esters at their 5'-position. Depending on the basicity of the 5'-ester either discrete octamers G8·K(+)I(-) or hexadecamers G16·3K(+)3I(-) are formed. The thermodynamic and kinetic stabilities of the G-quadruplex can be controlled by interlayer hydrogen-bonding and by dispersion interactions on the assembly's periphery.
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http://dx.doi.org/10.1039/c6cc06271g | DOI Listing |
J Chem Phys
June 2024
ETH Zurich, Department of Chemistry and Applied Biosciences, Vladimir-Prelog-Weg 2, 8093 Zurich, Switzerland.
The software for chemical interaction networks (SCINE) project aims at pushing the frontier of quantum chemical calculations on molecular structures to a new level. While calculations on individual structures as well as on simple relations between them have become routine in chemistry, new developments have pushed the frontier in the field to high-throughput calculations. Chemical relations may be created by a search for specific molecular properties in a molecular design attempt, or they can be defined by a set of elementary reaction steps that form a chemical reaction network.
View Article and Find Full Text PDFInt J Biol Macromol
October 2023
Faculty of Chemical Engineering, Urmia University of Technology, Urmia, Iran.
The primary function of the drug delivery system is to transfer various drugs to certain parts of the body. The drug is transferred reliably in the molecularity imprinted system, based on adjusting the drug release mechanism to control the drug amount and treatment duration. Molecular Imprinting Technology can provide an efficient polymer system to detect bioactive molecules and has high adsorption capacity as drug delivery carriers.
View Article and Find Full Text PDFCells
December 2021
Group of Molecular Cell Biology, Institute of Biochemistry of the Romanian Academy, 060031 Bucharest, Romania.
Cutaneous melanoma accounts for only about 7% of skin cancers but is causing almost 90% of deaths. Melanoma cells have a distinct repertoire of mutations from other cancers, a high plasticity and degree of mimicry toward vascular phenotype, stemness markers, versatility in evading and suppress host immune control. They exert a significant influence on immune, endothelial and various stromal cells which form tumor microenvironment.
View Article and Find Full Text PDFAnal Chem
April 2021
Department of Chemistry, University of Miami, Coral Gables, Florida 33146, United States.
CH-hydrogen bonding provides access to new building blocks for making macrocyclic ionophores with high degrees of preorganization and selective anion recognition. In this study, an anion-binding ionophore in the shape of a clamshell (ClS) was employed that is composed of two cyanostar (CNstar) macrocycles with preorganized cavities linked with a 12-carbon chain. This ionophore allows for anion complexation by CH-hydrogen bonding.
View Article and Find Full Text PDFProtein Sci
December 2020
Center for Interdisciplinary Biosciences, Technology and Innovation Park P.J. Šafárik University, Košice, Slovakia.
Protein aggregation is one of the most critical processes affecting protein solubility in various contexts-from protein therapeutics formulation to protein diseases. In general, time-dependent changes in protein solubility are complex kinetically driven processes that often involve a triggering event that consists of a protein unfolding/misfolding followed by the assembling of aggregation-competent protein species. In this study, we have examined the relation between stability and time-dependent solubility of the recombinant human antibody light chain, hLC, which was found to form renal tubular casts in the multiple myeloma patient.
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