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1.
Sci Rep ; 14(1): 13799, 2024 06 14.
Artigo em Inglês | MEDLINE | ID: mdl-38877048

RESUMO

Cardiovascular diseases (CVDs), mainly caused by thrombosis complications, are the leading cause of mortality worldwide, making the development of alternative treatments highly desirable. In this study, the thrombolytic potential of green kiwifruit (Actinidia deliciosa cultivar Hayward) was assessed using in-vitro and in-silico approaches. The crude green kiwifruit extract demonstrated the ability to reduce blood clots significantly by 73.0 ± 1.12% (P < 0.01) within 6 h, with rapid degradation of Aα and Bß fibrin chains followed by the γ chain in fibrinolytic assays. Molecular docking revealed six favorable conformations for the kiwifruit enzyme actinidin (ADHact) and fibrin chains, supported by spontaneous binding energies and distances. Moreover, molecular dynamics simulation confirmed the binding stability of the complexes of these conformations, as indicated by the stable binding affinity, high number of hydrogen bonds, and consistent distances between the catalytic residue Cys25 of ADHact and the peptide bond. The better overall binding affinity of ADHact to fibrin chains Aα and Bß may contribute to their faster degradation, supporting the fibrinolytic results. In conclusion, this study demonstrated the thrombolytic potential of the green kiwifruit-derived enzyme and highlighted its potential role as a natural plant-based prophylactic and therapeutic agent for CVDs.


Assuntos
Actinidia , Fibrinolíticos , Simulação de Acoplamento Molecular , Simulação de Dinâmica Molecular , Actinidia/química , Fibrinolíticos/química , Fibrinolíticos/farmacologia , Extratos Vegetais/química , Extratos Vegetais/farmacologia , Frutas/química , Fibrina/metabolismo , Fibrina/química , Animais , Humanos , Simulação por Computador , Cisteína Endopeptidases/química , Cisteína Endopeptidases/metabolismo
2.
Insects ; 13(10)2022 Oct 08.
Artigo em Inglês | MEDLINE | ID: mdl-36292861

RESUMO

The domestic silkworm or mulberry silk moth, B. mori L., provides more than 99% of the world's silk. Silk, as a sericulture product, was first introduced in Indonesia through a trade mechanism and began to develop in 1953. Several factors (economic, ecological, market, and cultural) support sericulture and make it become one of the non-timber forest product priorities. However, the competitive advantages alone have not encouraged the development of prospective sericulture industry in Indonesia yet. This paper is a review of tropical sericulture development in Indonesia. The literature on the development of sericulture in Indonesia between 1989 and 2022 is used to describe conditions related to mulberry cultivation (moriculture), and silkworm rearing (sericulture), as well as the state of socio-economic development, culture, and institutions. Moriculture and sericulture techniques, socio-economic aspects, institutional arrangements, and community motivations are intertwined, creating a challenging atmosphere for sericulture development. There are potential resources, such as exploring quality mulberry production and quality silkworm production through research and development, valuable cultural aspects, and potential stakeholders to build network engagement. Commitment, cooperation, and action from all stakeholders are needed to enhance the development of sericulture in Indonesia. In this context, the central government can play an important role in facilitating multi-stakeholder partnerships in the development of integrated sericulture in Indonesia.

3.
J Am Chem Soc ; 139(6): 2180-2183, 2017 02 15.
Artigo em Inglês | MEDLINE | ID: mdl-28140576

RESUMO

Benzoquino-bis-1,2,3-dithiazole 5 is a closed shell, antiaromatic 16π-electron zwitterion with a small HOMO-LUMO gap. Its crystal structure consists of planar ribbon-like molecular arrays packed into offset layers to generate a "brick-wall" motif with strong 2D interlayer electronic interactions. The spread of the valence and conduction bands, coupled with the narrow HOMO-LUMO gap, affords a small band gap semiconductor with σRT = 1 × 10-3 S cm-1 and Eact = 0.14 eV for transport within the brick-wall arrays. Closure of the band gap to form an all-organic molecular metal with σRT > 101 S cm-1 can be achieved by the application of pressure to 8 GPa.

4.
J Am Chem Soc ; 139(4): 1625-1635, 2017 02 01.
Artigo em Inglês | MEDLINE | ID: mdl-28117984

RESUMO

A critical feature of the electronic structure of oxobenzene-bridged bisdithiazolyl radicals 2 is the presence of a low-lying LUMO which, in the solid state, improves charge transport by providing additional degrees of freedom for electron transfer. The magnitude of this multiorbital effect can be fine-tuned by variations in the π-electron releasing/accepting nature of the basal ligand. Here we demonstrate that incorporation of a nitro group significantly stabilizes the LUMO, and hence lowers Ueff, the effective Coulombic barrier to charge transfer. The effect is echoed, at the molecular level, in the observed trend in Ecell, the electrochemical cell potential for 2 with R = F, H and NO2. The crystal structures of the MeCN and EtCN solvates of 2 with R = NO2 have been determined. In the EtCN solvate the radicals are dimerized, but in the MeCN solvate the radicals form superimposed and evenly spaced π-stacked arrays. This highly 1D material displays Pauli-like temperature independent paramagnetic behavior, with χTIP = 6 × 10-4 emu mol-1, but its charge transport behavior, with σRT near 0.04 S cm-1 and Eact = 0.05 eV, is more consistent with a Mott insulating ground state. High pressure crystallographic measurements confirm uniform compression of the π-stacked architecture with no phase change apparent up to 8 GPa. High pressure conductivity measurements indicate that the charge gap between the Mott insulator and metallic states can be closed near 6 GPa. These results are discussed in the light of DFT band structure calculations.

5.
Angew Chem Int Ed Engl ; 54(3): 823-7, 2015 Jan 12.
Artigo em Inglês | MEDLINE | ID: mdl-25417937

RESUMO

Co-crystallization of a cationic Fe(II) complex with a partially charged TCNQ(.δ-) (7,7',8,8'-tetracyanoquinodimethane) radical anion has afforded molecular materials that behave as narrow band-gap semiconductors, [Fe(tpma)(xbim)](X)(TCNQ)(1.5)⋅DMF (X=ClO4(-) or BF4(-); tpma=tris(2-pyridylmethyl)amine, xbim=1,1'-(α,α'-o-xylyl)-2,2'-bisimidazole). Remarkably, these complexes also exhibit temperature-and light-driven spin crossover at the Fe(II) center, and are thus the first structurally defined magnetically bistable semiconductors assembled with the TCNQ(.δ-) radical anion. Transport measurements reveal the conductivity of 0.2 S cm(-1) at 300 K, with the low activation energy of 0.11 eV.

6.
Nat Commun ; 4: 2435, 2013.
Artigo em Inglês | MEDLINE | ID: mdl-24022336

RESUMO

Understanding the compatibility between spider silk and conducting materials is essential to advance the use of spider silk in electronic applications. Spider silk is tough, but becomes soft when exposed to water. Here we report a strong affinity of amine-functionalised multi-walled carbon nanotubes for spider silk, with coating assisted by a water and mechanical shear method. The nanotubes adhere uniformly and bond to the silk fibre surface to produce tough, custom-shaped, flexible and electrically conducting fibres after drying and contraction. The conductivity of coated silk fibres is reversibly sensitive to strain and humidity, leading to proof-of-concept sensor and actuator demonstrations.


Assuntos
Nanotubos de Carbono/química , Seda/química , Aranhas/química , Alicerces Teciduais/química , Animais , Condutividade Elétrica , Eletrodos , Nanotubos de Carbono/ultraestrutura , Espectroscopia de Infravermelho com Transformada de Fourier , Análise Espectral Raman , Estresse Mecânico , Temperatura , Resistência à Tração , Água/química
7.
Sci Technol Adv Mater ; 12(5): 055002, 2011 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-27877440

RESUMO

This work explores functional, fundamental and applied aspects of naturally harvested spider silk fibers. Natural silk is a protein polymer where different amino acids control the physical properties of fibroin bundles, producing, for example, combinations of ß-sheet (crystalline) and amorphous (helical) structural regions. This complexity presents opportunities for functional modification to obtain new types of material properties. Electrical conductivity is the starting point of this investigation, where the insulating nature of neat silk under ambient conditions is described first. Modification of the conductivity by humidity, exposure to polar solvents, iodine doping, pyrolization and deposition of a thin metallic film are explored next. The conductivity increases exponentially with relative humidity and/or solvent, whereas only an incremental increase occurs after iodine doping. In contrast, iodine doping, optimal at 70 °C, has a strong effect on the morphology of silk bundles (increasing their size), on the process of pyrolization (suppressing mass loss rates) and on the resulting carbonized fiber structure (that becomes more robust against bending and strain). The effects of iodine doping and other functional parameters (vacuum and thin film coating) motivated an investigation with magic angle spinning nuclear magnetic resonance (MAS-NMR) to monitor doping-induced changes in the amino acid-protein backbone signature. MAS-NMR revealed a moderate effect of iodine on the helical and ß-sheet structures, and a lesser effect of gold sputtering. The effects of iodine doping were further probed by Fourier transform infrared (FTIR) spectroscopy, revealing a partial transformation of ß-sheet-to-amorphous constituency. A model is proposed, based on the findings from the MAS-NMR and FTIR, which involves iodine-induced changes in the silk fibroin bundle environment that can account for the altered physical properties. Finally, proof-of-concept applications of functionalized spider silk are presented for thermoelectric (Seebeck) effects and incandescence in iodine-doped pyrolized silk fibers, and metallic conductivity and flexibility of micron-sized gold-sputtered silk fibers. In the latter case, we demonstrate the application of gold-sputtered neat spider silk to make four-terminal, flexible, ohmic contacts to organic superconductor samples.

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