Drug delivery via α-Cyclodextrin: A Statistical-Nucleus Independent Chemical Shifts (S-NICS) study
نویسندگان
چکیده
منابع مشابه
Nucleus-independent chemical shift (NICS) profiles in a series of monocyclic planar inorganic compounds
A series of monocyclic planar inorganic compounds have been optimized at the B3LYP/6-311+G* level. GIAO-B3LYP nucleus-independent chemical shifts (NICS) profiles calculated in the perpendicular direction of each ring show that the series of analyzed compounds can be classified in three groups according to their aromatic, non-aromatic or antiaromatic character. Our results suggest exercising cau...
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Cyclodextrins (CDs) are a family of cyclic oligosaccharides composed ofα-(1, 4) linked glucopyranose subunits. CDs have been found as potential candidates because of their ability to alter physical, chemical and biological properties of guest molecules through the formation of inclusion complexes. Pure cyclodextrins that were suitable for pharmaceutical applications did not come available until...
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Using the bidirectional NICS scan method in conjunction with two-photon absorption (TPA) measurements, it has proved possible to determine the relationship between pi-conjugation and aromaticity in two structurally related expanded porphyrin systems, sapphyrin and inverted sapphyrin, and establish that differences in these defining factors depend on the presence or absence of a key sp3 hybrid m...
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Tianjin Key Laboratory of Pulp and Pa Technology, Tianjin 300457, China. E-m 60602226; Tel: +86-22-60602226 State Key Laboratory of Tree Genetics and Chinese Academy of Forestry, Beijing 10009 Jiangsu Province Biomass Energy and Ma Industry of Forest Products, CAF, Nanjing 2 State Key Laboratory of Pulp and Paper Technology, Guangzhou 510640, China † Electronic supplementary informa 10.1039/c6r...
متن کاملCan the current density map topology be extracted from the nucleus independent chemical shifts?
Aromatic compounds are characterised by the presence of a ring current when in a magnetic field. As a consequence, current density maps are used to assess (the degree of) aromaticity of a compound. However, often a more discrete set of so-called Nucleus Independent Chemical Shift (NICS) values is used that is derived from the current density. It is shown here that there is no simple one-to-one ...
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ژورنال
عنوان ژورنال: Revista de la Universidad del Zulia
سال: 2020
ISSN: 0041-8811
DOI: 10.46925/rdluz.29.07