Multiscale Modeling for Host-Guest Chemistry of Dendrimers in Solution
نویسندگان
چکیده
منابع مشابه
Multiscale Modeling for Host-Guest Chemistry of Dendrimers in Solution
Dendrimers have been widely used as nanostructured carriers for guest species in a variety of applications in medicine, catalysis, and environmental remediation. Theory and simulation methods are an important complement to experimental approaches that are designed to develop a fundamental understanding about how dendrimers interact with guest molecules. This review focuses on computational stud...
متن کاملGuest-Host Chemistry with Dendrimers—Binding of Carboxylates in Aqueous Solution
Recognition and binding of anions in water is difficult due to the ability of water molecules to form strong hydrogen bonds and to solvate the anions. The complexation of two different carboxylates with 1-(4-carbomethoxypyrrolidone)-terminated PAMAM dendrimers was studied in aqueous solution using NMR and ITC binding models. Sodium 2-naphthoate and sodium 3-hydroxy-2-naphthoate were chosen as c...
متن کاملHost-guest chemistry of tolbutamide.
The molecular recognition features of tolbutamide with four synthetic hosts have been studied by means of NMR titrations, NOESY experiments and Monte Carlo (MC) conformational search. The interaction strength and the most probable structure reveal new insights on the recognition phenomena of this urea derivative in comparison with close related compounds.
متن کاملRole of preorganization in host-guest-chemistry
show t h a t r i n g i n v e r s i o n i s Role of preorganization in host-guest-chemistry 48 1
متن کاملMetallacycles Capabilities in Host–Guest Chemistry
Host–guest chemistry encompasses the study of highly structured molecular complexes composed of at least two entities associated by noncovalent interactions, one possessing convergent binding sites, the host, and another possessing divergent binding sites, the guest. Among other species, the host can be a crown ether, calixarene, or metallacycle, whereas the guest can be virtually any small-tom...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Polymers
سال: 2012
ISSN: 2073-4360
DOI: 10.3390/polym4010463