Search results for "affinity"
showing 10 items of 313 documents
Nanomaterials and new biorecognition molecules based surface plasmon resonance biosensors for mycotoxin detection
2019
Mycotoxins are highly toxic secondary metabolites, which may contaminate many types of food and feeds. These toxins have serious health risks for both human and animals. One of the effective ways to prevent food contamination and protect people against mycotoxins is based on timely detection. Several methods like enzyme-linked immunosorbent assay and affinity chromatography are commercially available for this purpose. Nevertheless, sensitive, fast, simple, low-cost, and portable devices are absolutely required for a fast point-of care information and making decisions. Application of biosensors appears to be a possible technique to meet this need for mycotoxins analyze. The present study has…
A G2 study of H3BXHn (X=N, O, F, P, S, and Cl) donor–acceptor complexes
1999
Abstract Complexation energies of H3BXHn complexes (X=N, O, F, P, S, and Cl; n=1, 2, 3) have been computed at the G2 level of theory. G2 results show that the H3BXH3 (X=N, P) complexes are more stable than H3BXH2 (X=O, S) and H3BXH (X=F, Cl) ones. This stability was related completely either to the nature of donor compounds, and to the pyramidalization of the monoborane. Two linear correlations were established. The first one is between experimental proton affinity of the XHn donor compounds, and complexation energies of the H3BXHn complexes. The second correlation is between the ∠HBH bond angles and the complexation energies of the H3BXHn complexes calculated at the G2 level of theory.
Specific recognition of fluoride anion using a metallamacrocycle incorporating a uranyl-salen unit
2008
The design and synthesis of a novel fluoride receptor that uses a salen-complexed Lewis acidic uranyl center as the sole binding site is reported here. This receptor binds fluoride anions in DMSO with a high affinity constant (K > 106 M-1) and exhibits a negligible affinity (K < 10 M-1) towards otherwise effective competitors, such as acetate, phosphate and cyanide anions.
Theoretical Determination of the Singlet → Singlet and Singlet → Triplet Electronic Spectra, Lowest Ionization Potentials, and Electron Affinity of C…
2003
The singlet → singlet and singlet → triplet electronic spectra of cycloocta-1,3,5,7-tetraene are studied using multiconfigurational second-order perturbation theory (CASPT2) and extended atomic natural orbitals (ANOs) basis sets. The observed dipole-allowed features at 4.43, 6.02, and 6.42 eV and the spin-forbidden singlet → triplet bands with maxima at 3.05, 4.05, and 4.84 eV (Frueholz, R. P.; Kuppermann, A. J. Chem. Phys. 1978, 69, 3614) are assigned as the transitions 1 1 A 1 → 1 1 A 2 , 1 1 A 1 → 2 1 B 2 (3p z ), 1 1 A 1 → 3 1 E, and 1 1 A 1 - 1 3 A 2 , 1 1 A 1 → 1 3 E, 1 1 A 1 → 1 3 B 1 , respectively. The lowest (3s) Rydberg singlet and triplet states are placed at 5.58 (2 1 A 1 ) and…
Cytotoxic effects of antibodies to proteinase 3 (C-ANCA) on human endothelial cells.
1994
SUMMARY Autoantibodies directed against cytoplasmic antigens of neutrophils (ANCA), especially those with specificity for proteinase 3 (PR-3) and myeloperoxidase, are valuable markers for differential diagnosis and monitoring of disease activity in Wegener's granulomatosis (WG) and other vasculitides. Till now, several concepts concerning a direct role of antibodies against PR-3 in the pathogenesis of WG have been discussed. Recently we were able to show that these antibodies recognize PR-3 translocated into the membrane of human endothelial cells. The aim of this study was to investigate putative cytotoxic effects of antibodies to PR-3 on human endothelial cells. Antibodies were obtained b…
Key Disulfide Bonds in an Insect Hormone Binding Protein: cDNA Cloning of a Juvenile Hormone Binding Protein of Heliothis virescens and Ligand Bindin…
1995
The hemolymph juvenile hormone binding protein (JHBP) from the early fifth instar larvae of Heliothis virescens (Lepidoptera, Noctuidae) has been purified, and three cDNA clones for this protein have been isolated from a fat body cDNA library constructed in bacteriophage λZAP XR. The deduced amino acid sequence of the full-length clone predicts a mature protein consisting of 224 residues, a molecular mass of 24 976 Da, and a p/ of 5.29. Comparison of the amino acid sequence to that of the previously described JHBP from Manduca sexta shows 51 % overall identity with highly conserved N- and C-terminal regions. One of the three clones bound photoactivatable analogs of juvenile hormones with mu…
Novel σ1 antagonists designed for tumor therapy: Structure – activity relationships of aminoethyl substituted cyclohexanes
2021
Abstract Depending on the substitution pattern and stereochemistry, 1,3-dioxanes 1 with an aminoethyl moiety in 4-position represent potent σ1 receptor antagonists. In order to increase the stability, a cyclohexane ring first replaced the acetalic 1, 3-dioxane ring of 1. A large set of aminoethyl substituted cyclohexane derivatives was prepared in a six-step synthesis. All enantiomers and diastereomers were separated by chiral HPLC at the stage of the primary alcohol 7, and their absolute configuration was determined by CD spectroscopy. Neither the relative nor the absolute configuration had a large impact on the σ1 affinity. The highest σ1 affinity was found for cis-configured benzylamines…
Structure of SNX9 SH3 in complex with a viral ligand reveals the molecular basis of its unique specificity for alanine-containing class I SH3 motifs
2021
Class I SH3 domain-binding motifs generally comply with the consensus sequence [R/K]x0PxxP, the hydrophobic residue 0 being proline or leucine. We have studied the unusual 0 = Ala-specificity of SNX9 SH3 by determining its complex structure with a peptide present in eastern equine encephalitis virus (EEEV) nsP3. The structure revealed the length and composition of the n-Src loop as important factors determining specificity. We also compared the affinities of EEEV nsP3 peptide, its mutants, and cellular ligands to SNX9 SH3. These data suggest that nsP3 has evolved to minimize reduction of conformational entropy upon binding, hence acquiring stronger affinity, enabling takeover of SNX9. The R…
Impact of a Three Amino Acid Deletion in the CH2 Domain of Murine IgG1 on Fc-Associated Effector Functions
2008
Abstract Four murine IgG subclasses display markedly different Fc-associated effector functions because of their differential binding to three activating IgG Fc receptors (FcγRI, FcγRIII, and FcγRIV) and C1q. Previous analysis of IgG subclass switch variants of 34-3C anti-RBC monoclonal autoantibodies revealed that the IgG1 subclass, which binds only to FcγRIII and fails to activate complement, displayed the poorest pathogenic potential. This could be related to the presence of a three amino acid deletion at positions 233–235 in the CH2 domain uniquely found in this subclass. To address this question, IgG1 insertion and IgG2b deletion mutants at positions 233–235 of 34-3C anti-RBC Abs were …
Key Drivers of Mobile Commerce Adoption. An Exploratory Study of Spanish Mobile Users
2007
Despite dramatic differences between non-store shoppers were discovered, very limited research has been conducted to examine them. This paper analyses the background of M-commerce and key drivers of future Mcommerce decision among Spanish mobile users. Our objective is two-fold: (1) to determine the influence of relations with the Mobile (frequency of Mobile use, length of Mobile use and Mobile affinity), demographics, non-store shopping previous experience (mail, catalogue, Television and Internet) and attitude to M-commerce and its influence on the M-commerce decision and (2) to identify key drivers of future M-commerce intention. We examined data from 606 personal interviews given to Spa…