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1.
ACS Omega ; 7(45): 40844-40852, 2022 Nov 15.
Artigo em Inglês | MEDLINE | ID: mdl-36406489

RESUMO

The increasing demand for solar energy has led researchers worldwide to develop new photovoltaic technologies. Among these, perovskite materials are one of the most promising candidates, with a performance evolution unparalleled in the photovoltaic field. However, this thin-film technology is not yet available at a commercial level, mainly due to upscaling issues. This work studied the best design options for upscaling single cells into modules by minimizing electrical losses in the device substrates. The software LAOSS was used to test and optimize different substrate sizes and designs and to predict several performance outcomes from experimentally fabricated single cells. The results showed that it is possible to retain most of the energy production when upscaling from a single cell to a module if the appropriate design for an efficient monolithic device is used. The width of the interconnection zone also plays an important role in device performance and must be carefully optimized during module design. It then demonstrates the importance of having precise laser tools, which are essential for narrow and smooth scribes, and how useful simulation software can be, which, combined with experimental developments, will facilitate efficient module fabrication, aiming to establish it as a feasible and marketable resource.

2.
Org Biomol Chem ; 14(10): 2930-7, 2016 Mar 14.
Artigo em Inglês | MEDLINE | ID: mdl-26871309

RESUMO

Different electron-rich dienophiles were combined with the imine obtained from 2,4-O-benzylidene-d-erythrose and p-anisidine furnishing enantiomerically pure tetrahydroquinolines, by inverse electron-demand [4π + 2π] cycloaddition. The imine was also reacted with 2-substituted electron-rich 1,3-butadienes giving the diastereomeric pure product, resulting from the normal electron demand cycloaddition. The facial selectivity of both processes is proposed on the basis of a 1,4-relationship between the hydroxyl group and the nitrogen atom in the chiral N-(p-methoxyphenyl)imine derivative.


Assuntos
Reação de Cicloadição , Iminas/química , Quinolinas/química , Modelos Moleculares , Espectrometria de Massas por Ionização por Electrospray
3.
Bioorg Chem ; 57: 148-154, 2014 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-25462991

RESUMO

A range of novel pyridine 2,4,6-tricarbohydrazide derivatives (4a-4h) were synthesized and its biological inhibition towards α- and ß-glucosidases was studied. Most of the compounds demonstrate to be active against α-glucosidase, and quite inactive/completely inactive against ß-glucosidase. A number of compounds were found to be more active against α-glucosidase than the reference compound acarbose (IC50 38.25±0.12µM); being compound 4d with the p-hydroxy phenyl motive the most active (IC50 20.24±0.72µM). Molecular modeling studies show the interactions of compound 4d with the active site of target α-glucosidase kinase.


Assuntos
Inibidores de Glicosídeo Hidrolases/química , Inibidores de Glicosídeo Hidrolases/farmacologia , Piridinas/química , Piridinas/farmacologia , Humanos , Prunus/enzimologia , Saccharomyces cerevisiae/enzimologia , alfa-Glucosidases/química , alfa-Glucosidases/metabolismo , beta-Glucosidase/antagonistas & inibidores , beta-Glucosidase/química , beta-Glucosidase/metabolismo
5.
J Org Chem ; 76(23): 9584-92, 2011 Dec 02.
Artigo em Inglês | MEDLINE | ID: mdl-22017265

RESUMO

A new expeditious preparation of homochiral (-)-1-azafagomine and (+)-5-epi-1-azafagomine has been devised. Stoodley's diastereoselective cycloaddition of dienes bearing a 2,3,4,6-tetraacetyl glucosyl chiral auxiliary to 4-phenyl-1,2,4-triazole-3,5-dione was merged with Bols's protocol for functionalizing alkenes into molecules bearing a glucosyl framework. Homochiral (+)-5-epi-1-azafagomine was synthetized for the first time. Partial reductive cleavage of the phenyltriazolidinone moiety afforded new homochiral 1-N-phenyl carboxamide derivatives of 1-azafagomine. Both enantiomers of these derivatives were synthetized and tested, displaying a very good enzymatic inhibition toward baker's yeast α-glucosidase. The molecular recognition mechanism of the 1-N-phenyl carboxamide derivative of 1-azafagomine by α-glucosidase from baker's yeast was studied by molecular modeling. The efficient packing of the aromatic ring of the 1-N-phenyl carboxamide moiety into a hydrophobic subsite (pocket) in the enzyme's active site seems to be responsible for the improved binding affinity in relation to underivatized (-)-1-azafagomine and (+)-1-azafagomine.


Assuntos
Amidas/química , Inibidores Enzimáticos/síntese química , Indolizinas/síntese química , Sítios de Ligação/efeitos dos fármacos , Cristalografia por Raios X , Ciclização , Inibidores Enzimáticos/química , Inibidores Enzimáticos/farmacologia , Glicosídeo Hidrolases/antagonistas & inibidores , Indolizinas/química , Indolizinas/farmacologia , Modelos Moleculares , Conformação Molecular , Estereoisomerismo , Relação Estrutura-Atividade
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