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1.
Adv Mater ; 31(52): e1905210, 2019 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-31714630

RESUMO

Chalcopyrite compound CuGaTe2 is the focus of much research interest due to its high power factor. However, its high intrinsic lattice thermal conductivity seriously impedes the promotion of its thermoelectric performance. Here, it is shown that through alloying of isoelectronic elements In and Ag in CuGaTe2 , a quinary alloy compound system Cu1- x Agx Ga0.4 In0.6 Te2 (0 ≤ x ≤ 0.4) with complex nanosized strain domain structure is prepared. Due to strong phonon scattering mainly by this domain structure, thermal conductivity (at 300 K) drops from 6.1 W m-1 K-1 for the host compound to 1.5 W m-1 K-1 for the sample with x = 0.4. As a result, the optimized chalcopyrite sample Cu0.7 Ag0.3 Ga0.4 In0.6 Te2 presents an outstanding performance, with record-high figure of merit (ZT) reaching 1.64 (at 873 K) and average ZT reaching 0.73 (between ≈300 and 873 K), which are ≈37 and ≈35% larger than the corresponding values for pristine CuGaTe2 , respectively, demonstrating that such domain structure arising from isoelectronic multielement alloying in chalcopyrite compound can effectively suppress its thermal conductivity and elevate its thermoelectric performance remarkably.

2.
Biol Pharm Bull ; 42(6): 1013-1018, 2019.
Artigo em Inglês | MEDLINE | ID: mdl-31155575

RESUMO

A novel series of 4-aryl-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one derivatives were designed as a phosphoinositide 3-kinase α (PI3Kα) inhibitor by scaffold hopping. The target compounds, characterized by 1H-NMR, 13C-NMR and high resolution (HR)-MS, were synthesized from diethyl malonate and ethyl chloroacetate by nucleophilic substitution, ring-closure, chlorination and Suzuki reaction, etc. The biological activities were evaluated with cytotoxic activity in vitro on Uppsala 87 Malignant Glioma (U87MG) and prostate cancer-3 (PC-3) by Cell Counting Kit-8 (CCK-8). The results showed that compound 9c displayed the higher inhibition than the positive control PI-103, and high PI3Kα inhibitory activity with IC50 of 113 ± 9 nM in the same order of magnitude as BEZ235. In addition, the Log Kow values and molecular docking studies were performed to further investigate the drug-like properties of target compounds and interactions between 9c and PI3Kα.


Assuntos
Pirimidinonas/química , Pirimidinonas/farmacologia , Linhagem Celular Tumoral , Sobrevivência Celular/efeitos dos fármacos , Desenho de Drogas , Humanos , Simulação de Acoplamento Molecular
3.
Sci Rep ; 5: 17803, 2015 Dec 15.
Artigo em Inglês | MEDLINE | ID: mdl-26666813

RESUMO

It is a major challenge to elevate the thermoelectric figure of merit ZT of materials through enhancing their power factor (PF) and reducing the thermal conductivity at the same time. Experience has shown that engineering of the electronic density of states (eDOS) and the energy filtering mechanism (EFM) are two different effective approaches to improve the PF. However, the successful combination of these two methods is elusive. Here we show that the PF of ß-Zn4Sb3 can greatly benefit from both effects. Simultaneous resonant distortion in eDOS via Pb-doping and energy filtering via introduction of interface potentials result in a ~40% increase of PF and an approximately twofold reduction of the lattice thermal conductivity due to interface scattering. Accordingly, the ZT of ß-Pb0.02Zn3.98Sb3 with 3 vol.% of Cu3SbSe4 nanoinclusions reaches a value of 1.4 at 648 K. The combination of eDOS engineering and EFM would potentially facilitate the development of high-performance thermoelectric materials.

4.
Biol Pharm Bull ; 37(5): 840-6, 2014.
Artigo em Inglês | MEDLINE | ID: mdl-24790006

RESUMO

The inhibition of 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD1) has demonstrated potential for the treatment of various components of metabolic syndrome. In this study, a series of 1,4-diaryl-1,4-dihydropyrazines were designed as inhibitors of 11ß-HSD1 based on the structure-activity relationship of known 11ß-HSD1 inhibitors through docking simulations. The docking simulation results supported the initial pharmacophore hypothesis: the docking results of the known inhibitors with 11ß-HSD1 suggested a similar interaction of 1,4-diaryl-1,4-dihydropyrazines with the catalytic site of 11ß-HSD1. Twelve of these compounds were synthesized through the cyclization of N,N-dialkylanilines with anilines, and their structures were determined by (1)H-NMR, (13)C-NMR, high resolution (HR)-MS, and single-crystal X-ray diffraction. The inhibitory activities of these compounds against human 11ß-HSD1 were investigated in vitro through a scintillation proximity assay using microsomes containing 11ß-HSD1.


Assuntos
11-beta-Hidroxiesteroide Desidrogenase Tipo 1/antagonistas & inibidores , Desenho de Drogas , Inibidores Enzimáticos/síntese química , Inibidores Enzimáticos/farmacologia , Pirazinas/síntese química , Pirazinas/farmacologia , Células HEK293 , Humanos , Microssomos/efeitos dos fármacos , Microssomos/enzimologia , Modelos Moleculares , Relação Estrutura-Atividade
5.
Dalton Trans ; 43(4): 1888-96, 2014 Jan 28.
Artigo em Inglês | MEDLINE | ID: mdl-24264386

RESUMO

Large-scale fabrication of nanostructured Cu3SbSe4 and its Sn-doped sample Cu3Sb0.98Sn0.02Se4 through a low-temperature co-precipitation route is reported. The effects of hot-pressing temperatures, time and Sn doping on the thermoelectric properties of Cu3SbSe4 are explored. The maximum figure of merit ZTmax obtained here reaches 0.62 for the un-doped Cu3SbSe4, which is three times as large as that of Cu3SbSe4 synthesized by the fusion method. Due to the ameliorated power factor by optimized carrier concentration and the reduced lattice thermal conductivity by enhanced phonon scattering at grain interfaces, Sn doping leads to an improvement of thermoelectric performance as compared to Cu3SbSe4. The maximum ZT for Cu3Sb0.98Sn0.02Se4 is 1.05 in this work, which is 50% larger than the largest value reported.

6.
Org Biomol Chem ; 11(27): 4546-50, 2013 Jul 21.
Artigo em Inglês | MEDLINE | ID: mdl-23733168

RESUMO

4H-1,4-oxazines were designed as transthyretin (TTR) amyloid fibril inhibitors based on an analysis of the interactions between known small molecule inhibitors and TTR by molecular docking. A series of 2,4,6-triaryl-4H-1,4-oxazines was synthesized by the cyclization of N,N-bis(phenacyl)anilines with POCl3 in pyridine. Inhibition of TTR amyloid fibril was evaluated by a fibril formation assay. The results indicate that 4H-1,4-oxazines significantly inhibit TTR amyloid fibril at a concentration of 7.2 µM.


Assuntos
Amiloide/antagonistas & inibidores , Amiloide/metabolismo , Oxazinas/química , Oxazinas/farmacologia , Pré-Albumina/metabolismo , Humanos , Simulação de Acoplamento Molecular , Oxazinas/síntese química , Pré-Albumina/química
7.
Ultrason Sonochem ; 18(1): 466-9, 2011 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-20797893

RESUMO

An ultrasound-assisted preparation of 1,4-diazabutadienes via smooth condensation of diketones with amines under solvent-free conditions is described. The generality of this method was examined by the synthesized N,N'-diaryl- and N,N'-dialkyl-1,4-diazabutadiene derivatives. In addition to experimental simplicity, the main advantages of the procedure are mild conditions, short reaction time (2-15 min) and high yields (71-98%).


Assuntos
Iminas/síntese química , Putrescina/síntese química , Ultrassom , Aminas/química , Iminas/química , Cetonas/química , Putrescina/química
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