AI Article Synopsis
- Three imine cages with tetrahedral geometry were tested for their ability to encapsulate different tetra-alkylammonium salts in various solvents.
- In dichloromethane, the cage with the smallest window only captures NEt but not NMe, while larger cages accommodate both ions.
- Kinetic experiments and molecular simulations were conducted to understand uptake mechanisms, and additional NMR studies were performed to explore the complexation of pharmaceutical compounds like acetylcholine and muscarine.
Article Abstract
Three shape-persistent [4+4] imine cages with truncated tetrahedral geometry with different window sizes were studied as hosts for the encapsulation of tetra--alkylammonium salts of various bulkiness. In various solvents the cages behave differently. For instance, in dichloromethane the cage with smallest window size takes up NEt but not NMe which is in contrast to the two cages with larger windows hosting both ions. To find out the reason for this, kinetic experiments were carried out to determine the velocity of uptake but also to deduce the activation barriers for these processes. To support the experimental results, calculations for the guest uptakes have been performed by molecular mechanics' simulations. Finally, the complexation of pharmaceutical interested compounds, such as acetylcholine, muscarine or denatonium have been determined by NMR experiments.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6996569 | PMC |
| http://dx.doi.org/10.1002/open.201900357 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
A Hollowed-Out Heterometallic Cluster for Catalytic Knoevenagel Condensation.
Angew Chem Int Ed Engl
November 2024
Department of Chemistry and Key University Laboratory of Rare Earth Chemistry of Guangdong, Southern University of Science and Technology, Shenzhen, 518055, China.
Lanthanide-containing clusters are synthetically challenging and with significant chemical and materials applications. Herein, two isostructural heterometallic clusters of the formula (NO)@[LnNi(OH)(IDA)(CHCOO)(NO)(HO)]Cl⋅xHO⋅yCHOH (IDA=iminodiacetate; Ln=Gd 1, x=110, y=0; Ln=Eu 2, x=95, y=40) were obtained via co-hydrolysis of Ln (Gd or Eu) and Ni in the presence of iminodiacetate (IDA). Crystallographic studies show that each features a truncated tetrahedral core of LnNi within which a void of 1.
View Article and Find Full Text PDFCoherent Phonon Dynamics in Plasmonic Gold Tetrahedral Nanoparticle Ensembles.
J Phys Chem Lett
September 2024
Department of Chemistry, Northwestern University, Evanston, Illinois 60208, United States.
Coherent phonon modes supported by plasmonic nanoparticles offer prospective applications in chemical and biological sensing. Whereas the characterization of these phonon modes often requires single-particle measurements, synthetic routes to narrow size distributions of nanoparticles permit ensemble investigations. Recently, the synthesis of highly monodisperse gold tetrahedral nanoparticles with tunable edge lengths and corner sharpnesses has been developed.
View Article and Find Full Text PDFHeterometallic-Organic Cages with Customized Cavities: Constructed by Bottom-Up Step-Wise Coordination-Driven Self-Assembly.
Chemistry
November 2024
Department of Organic and Polymer Chemistry, Hunan Key Laboratory of Micro & Nano Materials Interface Science, College of Chemistry and Chemical Engineering, Central South University, Changsha, Hunan, 410083, China.
Accurately synthesizing coordination-driven metal-organic cages with customized shape and cavity remains a great challenge for chemists. In this work, a bottom-up step-wise coordination-driven self-assembly approach was put forward. Employing this strategy, three terpyridyl heterometallic-organic truncated tetrahedral cages with different sizes and cavity were precisely synthesized.
View Article and Find Full Text PDFTargeted delivery of CEBPA-saRNA for the treatment of pancreatic ductal adenocarcinoma by transferrin receptor aptamer decorated tetrahedral framework nucleic acid.
J Nanobiotechnology
July 2024
Department of Gastroenterology and Hepatology, Zhongshan Hospital, Fudan University, Shanghai, China.
Pancreatic cancer, predominantly pancreatic ductal adenocarcinoma (PDAC), remains a highly lethal malignancy with limited therapeutic options and a dismal prognosis. By targeting the underlying molecular abnormalities responsible for PDAC development and progression, gene therapy offers a promising strategy to overcome the challenges posed by conventional radiotherapy and chemotherapy. This study sought to explore the therapeutic potential of small activating RNAs (saRNAs) specifically targeting the CCAAT/enhancer-binding protein alpha (CEBPA) gene in PDAC.
View Article and Find Full Text PDFDecarboxylation Mechanism of -Orotate Decarboxylase Revisited.
J Chem Theory Comput
May 2024
MOE Key Laboratory of Green Chemistry & Technology, College of Chemistry, Sichuan University, Chengdu, Sichuan 610064, P. R. China.
-Orotate decarboxylase (IDCase), which is involved in the thymidine salvage pathway, has attracted considerable interest owing to its chemical similarity to a hypothetical DNA decarboxylase in mammals. Although valuable insights into the active DNA demethylation of 5-methyl-cytosine can be obtained from the decarboxylation mechanism of 5-carboxyl-uracil (5caU) catalyzed by IDCase, this mechanism remains under debate. In this study, the catalytic mechanism of 5caU decarboxylation by IDCase was studied using hybrid quantum mechanics/molecular mechanics (QM/MM) methodologies and density functional theory (DFT) calculations with a truncated model.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!