The present work revealed the presence of the molecule-ion interaction between ethylenediaminetetraacetic acid disodium salt (Na(2)H(2)EDTA) and β-cyclodextrin (CD) on the basis of observable changes in crystal patterns and thermal behaviors before and after interaction. Results from electric conductivity measurements confirmed this presence and showed that the extent of the molecule-ion interaction was associated with the concentration of β-CD. More importantly, the molecule-ion interaction led to a decreased coordination interaction of Na(2)H(2)EDTA and copper chloride, and this decrease exhibited a concentration dependence of β-CD. Similar phenomena were also observed in the case of several analogs of Na(2)H(2)EDTA by UV-vis spectroscopy. A possible explanation was proposed on the basis of the hypothesis that there was a competitive relationship between the molecule-ion interaction and the coordination interaction. Further, nuclear magnetic resonance measurements provided important information on the difference in interaction modes of β-CD with H(2)EDTA(2-) and [Cu(EDTA)](2-). We are of the opinion that the results would provide a significant bridge between coordination chemistry and supramolecular chemistry and help us further understand factors related to different interactions in multicomponent systems.
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http://dx.doi.org/10.1021/ic101873w | DOI Listing |
Front Pharmacol
June 2024
Department of Physiology and Membrane Biology, University of California, Davis, Davis, CA, United States.
Ion channels are critical drug targets for a range of pathologies, such as epilepsy, pain, itch, autoimmunity, and cardiac arrhythmias. To develop effective and safe therapeutics, it is necessary to design small molecules with high potency and selectivity for specific ion channel subtypes. There has been increasing implementation of structure-guided drug design for the development of small molecules targeting ion channels.
View Article and Find Full Text PDFJ Chem Theory Comput
July 2022
Institute of New Energy Material Chemistry, School of Materials Science and Engineering, Nankai University, Tianjin 300350, P. R. China.
We propose a unified approach to fit simultaneously a set of atomic partial charges and polarizabilities of the polarizable model against the electrostatic potential (ESP) and polarizability. The polarizable model is represented with interactive atomic dipoles with distance-dependent attenuation. For the polarizable model employed in this study, the internal electric field on the polarization sites is fully turned on, and thus allows self-induced dipoles, which persist even for an isolated molecule/ion.
View Article and Find Full Text PDFNat Commun
July 2021
Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY, USA.
Adsorption plays vital roles in many processes including catalysis, sensing, and nanomaterials design. However, quantifying molecular adsorption, especially at the nanoscale, is challenging, hindering the exploration of its utilization on nanomaterials that possess heterogeneity across different length scales. Here we map the adsorption of nonfluorescent small molecule/ion and polymer ligands on gold nanoparticles of various morphologies in situ under ambient solution conditions, in which these ligands are critical for the particles' physiochemical properties.
View Article and Find Full Text PDFEnviron Sci Technol
December 2020
Key Laboratory of Industrial Ecology and Environmental Engineering (Ministry of Education, MOE), School of Environmental Science and Technology, Dalian University of Technology, Dalian 116024, China.
It remains challenging for graphene oxide (GO) membranes to achieve highly efficient performance and sufficient stability for aqueous molecule/ion precise separations. Herein, a molecular-level rational structure design protocol was proposed to develop ceramic-based graphene oxide framework (GOF) membranes with significantly enhanced sieving performance and stability for efficient removal of salts and micropollutants. Via a molecular cross-linking strategy, interlayered nanochannels between GO nanosheets can be rationally designed, featuring precisely tailorable channel size, promising surface chemistries and remarkably robust stability suitable for aqueous separation.
View Article and Find Full Text PDFTalanta
August 2020
Sivas Cumhuriyet University, Health Services Vocational School, Department of Pharmacy, TR 58140, Sivas, Turkey.
This research article proposes a simple, quick, green and cheap approach for the determination of total selenium in food samples using alcohol-DES based vortex-assisted homogenous liquid-liquid microextraction (alcohol-DES-VA-HLLME) combination with hydride generation atomic absorption spectrometry (HG AAS). Analyte, complexing agent and working pH were Se(IV), Sudan-II and pH 4.0, respectively.
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