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14 rezultatima
An approach to helical tubular self-aggregation using C2-symmetric self-complementary hydrogen-bonding cavity molecules.
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In an approach to helical self-aggregation, C2-symmetric cavity compounds based on the fusion of the bicyclo[3.3.1]nonane and indole framework and incorporating two 2-pyridone hydrogen-bonding motifs, compounds (-)-4 (pyrrole N-butyl) and (-)-5 (pyrrole N-decyl), have been synthesized. The
Nonmonotonic assembly of a deep-cavity cavitand.
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The synthesis and assembly properties of a new water-soluble deep-cavity cavitand are discussed. For a homologous series of alkanes, the host can form a range of approximately isoenergetic 1:1, 2:1, and 2:2 complexes. As a result of this 'confluence' of binding and assembly the host displays an
Identification of glucosyl transferase inhibitors from Psidium guajava against Streptococcus mutans in dental caries.
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Dental caries is a multi factorial disease that starts with microbiological shifts affected by salivary flow, composition, exposure to fluoride, consumption of dietary sugars, and preventive behaviours. The Streptococcus mutans (S. mutans) is an initiator of caries because there
Spherical versus linear anion encapsulation in the cavity of a protonated azacryptand.
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Grams scale synthesis of an octaaminocryptand L(2) with high yield is obtained in one-pot by low-temperature [2 + 3] condensation of tris(2-aminoethyl)amine with isophthalaldehyde, followed by sodium borohydride reduction. Structural aspects of octaaminocryptand L(2) x MeOH, binding of iodide
Exhaled breath and oral cavity VOCs as potential biomarkers in oral cancer patients.
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Corporal mechanisms attributed to cancer, such as oxidative stress or the action of cytochrome P450 enzymes, seem to be responsible for the generation of a variety of volatile organic compounds (VOCs) that could be used as non-invasive diagnosis biomarkers. The present work presents an attempt to
Modulation of opioid receptor affinity and efficacy via N-substitution of 9β-hydroxy-5-(3-hydroxyphenyl)morphan: Synthesis and computer simulation study.
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The enantiomers of a variety of N-alkyl-, N-aralkyl-, and N-cyclopropylalkyl-9β-hydroxy-5-(3-hydroxyphenyl)morphans were synthesized employing cyanogen bromide and K2CO3 to improve the original N-demethylation procedure. Their binding affinity to the μ-, δ-, and κ-opioid receptors (ORs) was
Structural requirements of para-alkylphenols to bind to estrogen receptor.
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Octyl- and nonylphenols in the environment have been proposed to function as estrogens. To gain insight into their structural essentials in binding to the estrogen receptor, a series of phenols with saturated alkyl groups at the para position, HO-C6H4-CnH2n+1 (n = 0-12), were examined for their
In vivo inhibition of nitric oxide synthase by bisisothiouronium and bisguanidinium salts.
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The ability of two S,S'-(alkane-1,omega-diyl) bisisothiouronium dibromides, three N,N'-(alkane-1, omega-diyl) bis guanidinium dinitrates and N,N'-bis (3-guanidinopropyl)piperazine dinitrate to inhibit constitutive (i.e. endothelial and neuronal forms) and inducible forms of nitric oxide synthases
A copper(I) oxygenation precursor in the entatic state: two isomers of a copper(I) compound of a rigid tetradentate ligand
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Oxygenation of [CuI(L1)(NC-CH3)]+ (L1 = dimethyl 2,4-bis(2-pyridinyl)-3,7-diazabicyclo-[3.3.1]-nonane-9-on-1,5-dicarboxylate) leads to a relatively stable mu-peroxo-dicopper(II) product. The stability of this type of oxygenation product has been shown before to be the result of the square pyramidal
pH-Gated Chloride Transport by a Triazine-Based Tripodal Semicage.
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Triazine-based preorganized tripodal receptors are reported as efficient transmembrane Cl- carriers. These receptors were designed based on triazine core and 3,7-diazabicyclo[3.3.1]nonane arms to facilitate preorganized cavity formation. Each bicyclic arm was further functionalized to control
Composition- and size-controlled cyclic self-assembly by solvent- and C60-responsive self-sorting.
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Synthesis, solvent-, and guest-controlled self-assembly, and self-sorting of new hydrogen-bonded chiral cavity receptors are reported. The design of the cavity is based on the cyclic self-aggregation of monomers containing the 4H-bonding ureidopyrimidinone motif fused with the bicylo[3.3.1]nonane
First-Generation Bispidine Chelators for 213 Bi III Radiopharmaceutical Applications
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Hepta- and octadentate bispidines (3,7-diazabicyclo[3.3.1]nonane, diaza-adamantane) with acetate, methyl-pyridine, and methyl-picolinate pendant groups at the amine donors of the bispidine platform have been prepared and used to investigate BiIII coordination chemistry. Crystal structure
Molecular clips based on propanediurea: exceptionally high binding affinities for resorcinol guests.
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A series of new receptor molecules derived from 2,4,6,8-tetraazabicyclo[3.3.1]nonane-3,7-dione (propanediurea) is described. These molecules possess a cavity which is defined by two nearly parallel aromatic side walls positioned on top of a bis-urea framework. The resulting "U-shaped" clip molecules
Novel bispidine ligands and their first-row transition metal complexes: trigonal bipyramidal and trigonal prismatic geometries.
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Four very rigid second generation bispidine-based ligands (bispidine = 3,7-diazabicyclo[3.3.1]nonane; tetra-, penta- and hexadentate; exclusively tertiary amine donors except for one of the pentadentate ligands, where one of the donors is a pyridyl group) and their Co(II), Ni(II), Cu(II), and Zn(II)
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