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1.
J Chem Phys ; 134(9): 094702, 2011 Mar 07.
Artículo en Inglés | MEDLINE | ID: mdl-21384992

RESUMEN

Using the first-principles calculations, we have investigated the stability and the electronic structure of two types of recently synthesized one-dimensional nanoribbons, i.e., double-stranded zinc(II) porphyrin ladder polymer (LADDER) arrays. First, electronic structure calculations were used to show that the LADDER is a semiconductor. Most importantly, the application of a transverse electric field significantly reduces the band gap of the LADDER, ultimately converting the LADDER to a metal at a field strength of 0.1 V∕Å. The giant Stark effect in this case is almost as strong as that in boron nitride nanotubes and nanoribbons. In the presence of an electric field, hole conduction and electronic conduction will occur entirely through spatially separated strands, rendering these materials useful for nanoelectronic devices. Second, the substitution of hydrogen atoms in the porphyrin units or that of zinc ions with other kinds of chemical species is found to increase the binding strength of the LADDER and reduce the band gap.


Asunto(s)
Metaloporfirinas/química , Polímeros/química , Zinc/química , Electrones , Modelos Moleculares , Estructura Molecular , Nanoestructuras/química , Teoría Cuántica
2.
Mol Med Rep ; 8(1): 255-9, 2013 Jul.
Artículo en Inglés | MEDLINE | ID: mdl-23652412

RESUMEN

Essential oils are concentrated hydrophobic liquids containing volatile aromatic compounds from plants. In the present study, the essential oil of Chamaecyparis obtusa (C. obtusa), which is commercially used in soap, toothpaste and cosmetics, was extracted. Essential oil extracted from C. obtusa contains several types of terpenes, which have been shown to have anti-oxidative and anti-inflammatory effects. In the present study, we examined the anti-inflammatory effects of C. obtusa essential oil in vivo and in vitro following the induction of inflammation by lipopolysaccharides (LPS) in rats. While LPS induced an inflammatory response through the production of prostaglandin E2 (PGE2) in the blood and peripheral blood mononuclear cells (PMNCs), these levels were reduced when essential oil was pre-administered. Additionally, the mechanism of action underlying the anti-inflammatory effects of C. obtusa essential oil was investigated by measuring the mRNA expression of inflammation­associated genes. LPS treatment significantly induced the expression of transforming growth factor α (TNFα) and cyclooxygenase-2 (COX-2) in rats, while C. obtusa essential oil inhibited this effect. Taken together, our results demonstrate that C. obtusa essential oil exerts anti­inflammatory effects by regulating the production of PGE2 and TNFα gene expression through the COX-2 pathway. These findings suggest that C. obtusa essential oil may constitute a novel source of anti-inflammatory drugs.


Asunto(s)
Antiinflamatorios/farmacología , Chamaecyparis/química , Inhibidores de la Ciclooxigenasa 2/farmacología , Ciclooxigenasa 2/metabolismo , Aceites Volátiles/farmacología , Transducción de Señal/efectos de los fármacos , Animales , Ciclooxigenasa 2/genética , Dinoprostona/sangre , Inflamación/genética , Inflamación/metabolismo , Lipopolisacáridos/inmunología , Pulmón/efectos de los fármacos , Pulmón/metabolismo , Masculino , Ratas , Factor de Necrosis Tumoral alfa/genética , Factor de Necrosis Tumoral alfa/metabolismo
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