Fullerenes as the carriers of compounds with amide bond.

نویسندگان

  • Monika K Grudzień
  • Marcin Suskiewicz
  • Edita Ajmanovič
  • Marzena Mędrek
  • Franciszek A Pluciński
  • Aleksander P Mazurek
چکیده

Fullerenes are molecules created solely of carbon and have a highly unusual attributes. The smallest structure in the fullerene family is conformation C20, which consists of pentagonal rings only, resulting in its instability. The C60 is the first fullerene containing 12 pentagonal and 20 hexagonal rings in which pentagons do not share an edge. It results in good stability of the carbon cage. The structure of C60 is a truncated icosahedron, with two different bond lengths: the ones between two hexagons are shorter (bond CñC, length 1.44 ), then between a hexagon and a pentagon (double-bond C=C, length 1.39 ); average bond length is 1.4 (1ñ3). The attributes like structure, geometry, size and shape of carbon cages yield the possibility to use them as vehicles to carry substances with pharmacological activity to molecular target. The derivatives of fullerenes are classified into following categories according to their functionalization: endohedral fullerenes with active molecules residing inside the carbon cage, exohedral with wide variety of both inorganic and organic groups existing outside and connected to the fullerenesí exterior and heterofullerenes ñ when one or more carbon atoms that form the fullerene carbon cage are replaced by a non-carbon atom, i.e., a heteroatom.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Investigation of fullerene (C60) effects on chemical properties of Metoprolol: A DFT study

In this research at the first Metoprolol drug and its fullerene derivative were optimized. Natural bond orbital (NBO), nuclear Indepndent chemical shift (NICS) and finally IR calculations, for these compounds were carried out at the B3LYP/6-31G* quantum chemistry level. Different parameters such as energy levels, the amount of chemical shift in different atoms, the amount of HOMO/LUMO, chemical...

متن کامل

Investigation of fullerene (C60) effects on chemical properties of Metoprolol: A DFT study

In this research at the first Metoprolol drug and its fullerene derivative were optimized. Natural bond orbital (NBO), nuclear Indepndent chemical shift (NICS) and finally IR calculations, for these compounds were carried out at the B3LYP/6-31G* quantum chemistry level. Different parameters such as energy levels, the amount of chemical shift in different atoms, the amount of HOMO/LUMO, chemical...

متن کامل

Computational Investigation on the Effect of Changes in Halogenated on Afrin with Fullerene

In this research at the first Afrin drug or and its fullerene derivative were optimized. Afrin is a nasal congestion drug that acts by contraction of the blood vessels of the arteries and veins. Afrin acts directly on the nasal vessels. Eclipse of the blood vessels in your nose and the sinuses causes the water to be collected and the nasal congestion is reduced. And this medicine is used for co...

متن کامل

Investigation of Fullerene effect on reactivity of 2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoic acid with NMR parameters

In this research at the first 2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoic acid  drug and its fullerene derivative were optimized. NMR calculations for the complexes were carried out at the B3LYP/6-31G*quantum chemistry level. Different parameters such as energy levels, the amount of Chemical Shift in different atoms, the amount of HOMO/LUMO, chemical potential (µ ), chemical hardness (η)...

متن کامل

Theoretical and Structural Relationship Study of Electrochemical Properties of p- Sulfonated Calix[Slarene Macrocycles with Fullerenes as lp-Sulfonated Calliplarenesi@iCsl Supramolecular Complexes

Up to now, various empty carbon fullerenes with different magic number "n", such as C10, Cow Cm, Cso,Cis** Cm and so on. have been obtained. The calix[n]arenes are a class of chalice-like rnacrocyclicmolecules that have attracted widespread attention as complex molecules with liquid crystal behaviors.These classes of compounds are cyclic ohgomers synthessid by condensation of a para-alkylated p...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:
  • Acta poloniae pharmaceutica

دوره 71 6  شماره 

صفحات  -

تاریخ انتشار 2014