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1.
Nature ; 617(7961): 499-506, 2023 05.
Artigo em Inglês | MEDLINE | ID: mdl-37198311

RESUMO

Phase segregation is ubiquitously observed in immiscible mixtures, such as oil and water, in which the mixing entropy is overcome by the segregation enthalpy1-3. In monodispersed colloidal systems, however, the colloidal-colloidal interactions are usually non-specific and short-ranged, which leads to negligible segregation enthalpy4. The recently developed photoactive colloidal particles show long-range phoretic interactions, which can be readily tuned with incident light, suggesting an ideal model for studying phase behaviour and structure evolution kinetics5,6. In this work, we design a simple spectral selective active colloidal system, in which TiO2 colloidal species were coded with spectral distinctive dyes to form a photochromic colloidal swarm. In this system, the particle-particle interactions can be programmed by combining incident light with various wavelengths and intensities to enable controllable colloidal gelation and segregation. Furthermore, by mixing the cyan, magenta and yellow colloids, a dynamic photochromic colloidal swarm is formulated. On illumination of coloured light, the colloidal swarm adapts the appearance of incident light due to layered phase segregation, presenting a facile approach towards coloured electronic paper and self-powered optical camouflage.

2.
Nano Lett ; 23(7): 3078-3084, 2023 Apr 12.
Artigo em Inglês | MEDLINE | ID: mdl-36802649

RESUMO

Polymeric nanofilms have been widely utilized in diverse cutting-edge technologies, yet accurately determining their elastic moduli remains challenging. Here we demonstrate that interfacial nanoblisters, which are produced by simply immersing substrate-supported nanofilms in water, represent natural platforms for assessing the mechanical properties of polymeric nanofilms using the sophisticated nanoindentation method. Nevertheless, high-resolution, quantitative force spectroscopy studies reveal that the indentation test must be performed on an effective freestanding region around the nanoblister apex and meanwhile under an appropriate loading force, to obtain load-independent, linear elastic deformations. The nanoblister stiffness increases with either decreasing its size or increasing its covering film thickness, and such size effects can be adequately rationalized by an energy-based theoretical model. The proposed model also enables an exceptional determination of the film elastic modulus. Given that interfacial blistering is a frequently occurring phenomenon for polymeric nanofilms, we envision that the presented methodology would stimulate broad applications in relevant fields.

3.
Dig Dis Sci ; 68(3): 824-830, 2023 03.
Artigo em Inglês | MEDLINE | ID: mdl-35761035

RESUMO

BACKGROUND: B7-H5 is an important ligand which is deeply involved in the immune response in various diseases. However, its clinical usefulness as an early indicator in acute pancreatitis (AP) remains unclear. AIMS: To determine the role of B7-H5 in severe acute pancreatitis (SAP). METHODS: Whole blood samples from patients with SAP (n = 20) and healthy donors (n = 20) were collected. Expression of soluble B7-H5 (sB7-H5) in plasma was determined by ELISA and membrane B7-H5 (mB7-H5) on the peripheral CD14+ cells was determined by flow cytometry. Peripheral blood mononuclear cells (PBMCs) were isolated from healthy donors and stimulated with serum from SAP patients, lipopolysaccharide (LPS), TNF-α, or IFN-γ, then, sB7-H5 and mB7-H5 were measured. The relationship between expression levels of mB7-H5 and clinical features of SAP patients were analyzed. RESULTS: The expression levels of sB7-H5 in plasma were increased and the expression levels of mB7-H5 on the peripheral CD14+ cells were decreased in SAP patients. These changes of B7-H5 expression pattern in cultured PBMCs could be induced by stimulation with serum from SAP patients, LPS, TNF-α, or IFN-γ. Expression levels of mB7-H5 were negatively related to levels of hematocrit, urea nitrogen, creatinine, lactic acid, RANSON scores, and APACHE II scores. CONCLUSION: Changes of B7-H5 expression pattern were involved in immune response of SAP. Innate immunity activation-induced decrease of mB7-H5 might be related to poor prognosis of SAP patients.


Assuntos
Leucócitos Mononucleares , Pancreatite , Humanos , Doença Aguda , APACHE , Leucócitos Mononucleares/metabolismo , Lipopolissacarídeos/farmacologia , Lipopolissacarídeos/metabolismo , Pancreatite/metabolismo , Prognóstico , Índice de Gravidade de Doença , Fator de Necrose Tumoral alfa/metabolismo
4.
Phys Chem Chem Phys ; 23(23): 13292-13299, 2021 Jun 16.
Artigo em Inglês | MEDLINE | ID: mdl-34095926

RESUMO

In this work, we investigate the microscopic mechanism of ion rejection phenomena during the freezing of aqueous NaCl solutions through molecular dynamics simulations. It is found that the hydration energy for the ion-water interaction is stronger than that between ions and ice, which is the fundamental reason giving rise to the phenomenon of ion rejection. The probability of ions being rejected by ice is determined by the competition between the energy barrier at the ice-water interface and the thermal effect. The ion rejection rate increases with increasing temperature. Furthermore, it is found that the rejection rate of Na+ is higher than that of Cl- because of the relatively large hydration energy difference between Na+-water and Na+-ice interactions. The role of temperature in the applications of ion rejection in freeze desalination is also discussed.

5.
Electrophoresis ; 40(6): 859-864, 2019 03.
Artigo em Inglês | MEDLINE | ID: mdl-30575055

RESUMO

In this work, we investigate pressure-driven water flows in graphene-coated copper nanochannels through molecular dynamics simulations. It is found that the flow rate in bare copper nanochannel can be significantly enhanced by a factor of 45 when the nanochannel is coated with monolayer graphene. The enhancement factor for the flow rate reaches about 90 when the nanochannel is modified with 3 or more graphene layers. The dipole relaxation time and the hydrogen bond lifetime of interfacial water molecules show that the graphene coating promotes the mobility of water molecules at the interface. The distribution of the potential of mean force and the free energy barriers also confirm that graphene coating reduces the flow resistance and 3 layers of graphene can fully screen the surface effects. The results in this work provide important information for the design of graphene-based nanofluidic systems for flow enhancement.


Assuntos
Grafite/química , Microfluídica/instrumentação , Nanoestruturas , Nanotecnologia/instrumentação , Cobre , Simulação de Dinâmica Molecular
6.
Nanotechnology ; 28(13): 135703, 2017 Mar 01.
Artigo em Inglês | MEDLINE | ID: mdl-28248644

RESUMO

Development of low energy cost membranes for separating helium from natural gas is highly desired. Using van der Waals-corrected first-principles density functional theory (DFT) calculations, we theoretically investigate the helium separation performance of divacancy-defective germanene. The 555 777 divacancy-defective germanene presents a 0.53 eV energy barrier for helium, which is slightly larger than the energy threshold value of gas molecule penetration of a membrane (0.5 eV). Thus, the 555 777 divacancy-defective germanene is difficult for helium to permeate, except under high temperature or pressure. However, the 585 divacancy-defective germanene presents a surmountable energy barrier (0.27 eV) for helium, and it shows extremely high helium selectivities relative to other studied gas molecules. Especially, the He/Ne selectivity can be as high as 1 × 104 at room temperature. Together with the acceptable permeance for helium, the 585 divacancy-defective germanene can be used for helium separation with remarkably good performance.

7.
Plant Physiol ; 168(3): 1076-90, 2015 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-25991736

RESUMO

Sodium transporters play key roles in plant tolerance to salt stress. Here, we report that a member of the High-Affinity K(+) Transporter (HKT) family, OsHKT1;1, in rice (Oryza sativa 'Nipponbare') plays an important role in reducing Na(+) accumulation in shoots to cope with salt stress. The oshkt1;1 mutant plants displayed hypersensitivity to salt stress. They contained less Na(+) in the phloem sap and accumulated more Na(+) in the shoots compared with the wild type. OsHKT1;1 was expressed mainly in the phloem of leaf blades and up-regulated in response to salt stress. Using a yeast one-hybrid approach, a novel MYB coiled-coil type transcription factor, OsMYBc, was found to bind to the OsHKT1;1 promoter. In vivo chromatin immunoprecipitation and in vitro electrophoresis mobility shift assays demonstrated that OsMYBc binds to AAANATNC(C/T) fragments within the OsHKT1;1 promoter. Mutation of the OsMYBc-binding nucleotides resulted in a decrease in promoter activity of OsHKT1;1. Knockout of OsMYBc resulted in a reduction in NaCl-induced expression of OsHKT1;1 and salt sensitivity. Taken together, these results suggest that OsHKT1;1 has a role in controlling Na(+) concentration and preventing sodium toxicity in leaf blades and is regulated by the OsMYBc transcription factor.


Assuntos
Proteínas de Transporte de Cátions/metabolismo , Oryza/fisiologia , Proteínas de Plantas/metabolismo , Potássio/metabolismo , Tolerância ao Sal , Fatores de Transcrição/metabolismo , Agrobacterium/fisiologia , Sequência de Bases , Proteínas de Transporte de Cátions/genética , Ensaio de Desvio de Mobilidade Eletroforética , Regulação da Expressão Gênica de Plantas/efeitos dos fármacos , Técnicas de Inativação de Genes , Dados de Sequência Molecular , Mutação/genética , Oryza/efeitos dos fármacos , Oryza/genética , Folhas de Planta/microbiologia , Proteínas de Plantas/genética , Brotos de Planta/efeitos dos fármacos , Brotos de Planta/genética , Brotos de Planta/metabolismo , Regiões Promotoras Genéticas/genética , Ligação Proteica , Tolerância ao Sal/efeitos dos fármacos , Tolerância ao Sal/genética , Sódio/metabolismo , Cloreto de Sódio/farmacologia , Estresse Fisiológico/efeitos dos fármacos , Nicotiana/microbiologia
8.
Phys Chem Chem Phys ; 17(5): 3441-50, 2015 Feb 07.
Artigo em Inglês | MEDLINE | ID: mdl-25531924

RESUMO

Morphology manipulation opens up a new avenue for controlling and tailoring the functional properties of graphene, enabling the exploration of graphene-based nanomaterials. Through mixing single-side-hydrogenated graphene (C4H) with fluorinated graphene (C4F) on one single sheet, the C4H/C4F-type graphene superlattices can self-scroll at room temperature. We demonstrate using molecular dynamic (MD) simulations that different proportions, sizes, directions of hydrogenation and fluorination, and geometry of graphene have a great influence on the self-scrolling of superlattices into a variety of well-defined carbon nanoscrolls (CNSs), thus providing a controllable approach to tune their structures. Based on molecular mechanics (MM) simulations, the CNSs bear more than eight times the radial pressure than that of their multiwalled carbon nanotube (MWNT) counterparts, and an excellent radial elasticity of CNSs is also shown. Compared with conventional CNSs, these novel CNSs are endowed with more ample and flexible heterogeneous structures due to the on-demand hydrogenation and fluorination. Besides, this work provides a feasible route to achieve the necessary electronic and optical changes to be applied in graphene device applications.

9.
J Plant Res ; 128(1): 211-20, 2015 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-25416933

RESUMO

A number of cyclic nucleotide gated channel (CNGC) genes have been identified in plant genomes, but their functions are mainly undefined. In this study, we identified the role of CNGC10 in the response of Arabidopsis thaliana to salt stress. The cngc10 T-DNA insertion mutant showed greater tolerance to salt than wild-type A. thaliana during seed germination and seedling growth. The cngc10 mutant accumulated less Na(+) and K(+), but not less Ca(2+), in shoots in response to salt stress. By contrast, overexpression of CNGC10 resulted in greater sensitivity to salt stress, and complementation of this gene recovered salt sensitivity. In response to salt stress, heterologous expression of CNGC10 in the Na(+) sensitive yeast mutant strain B31 inhibited growth due to accumulation of Na(+) at a rate greater than that of yeast transformed with an empty vector. Quantitative RT-PCR analysis demonstrated that CNGC10 was expressed mainly in roots and flowers. GUS analysis of a root cross section indicated that CNGC10 was expressed mainly in the endodermis and epidermis. Furthermore, the expression of CNGC10 in roots was dramatically inhibited by exposure to 200 mM NaCl for 6 h. These data suggest that CNGC10 negatively regulates salt tolerance in A. thaliana and may be involved in mediating Na(+) transport.


Assuntos
Proteínas de Arabidopsis/metabolismo , Arabidopsis/fisiologia , Canais de Cátion Regulados por Nucleotídeos Cíclicos/metabolismo , Tolerância ao Sal , Sódio/metabolismo , Arabidopsis/efeitos dos fármacos , Arabidopsis/genética , Transporte Biológico/efeitos dos fármacos , Regulação para Baixo/efeitos dos fármacos , Regulação da Expressão Gênica de Plantas/efeitos dos fármacos , Técnicas de Inativação de Genes , Teste de Complementação Genética , Íons , Mutação/genética , Fenótipo , Brotos de Planta/efeitos dos fármacos , Brotos de Planta/metabolismo , Saccharomyces cerevisiae/genética , Tolerância ao Sal/efeitos dos fármacos , Tolerância ao Sal/genética , Plântula/efeitos dos fármacos , Plântula/fisiologia , Cloreto de Sódio/farmacologia , Estresse Fisiológico/efeitos dos fármacos , Transformação Genética
10.
Sci Justice ; 63(4): 517-528, 2023 07.
Artigo em Inglês | MEDLINE | ID: mdl-37453784

RESUMO

Understanding the underlying hydrodynamics of impinging blood droplets and finding out the physical parameters determining the bloodstain characteristics are of great importance in blood related forensic investigations. In this work, the impact of non-Newtonian blood droplets on solid surfaces ranging from lyophilic to superlyophobic was systematically investigated and compared to that of Newtonian droplets with a similar dynamic shear viscosity. We show that impinging blood droplets behave as low-viscosity Newtonian droplets in the short-time spreading, which is dominated by capillary and inertial forces, but their non-Newtonian viscoelasticity would notably affect the droplet retraction and post-impact oscillation occurring in large timescales. Whereas the strong liquid-solid adhesion and the non-Newtonian elongational viscosity hinder droplet recoiling and thus alter the impact phenomena on lyophobic and superlyophobic surfaces, the shear and elongational viscosities are coupled to result in higher damping coefficients of oscillating blood droplets after deposition, in comparison to that of impinging Newtonian droplets. The size of the dried bloodstain was found to be different from both the maximum spreading radius of the droplet that can reach during impact and the final radius of the deposited droplet after oscillation, and their correlations are highly dependent on the impact velocity and surface wettability. Moreover, the morphologic characteristics of the bloodstains would also be changed by varying either the impact velocity or the surface wettability. We envision that these findings can not only find applications in the bloodstain pattern analysis, but also provide useful information for medical diagnosis based on blood droplet test.


Assuntos
Manchas de Sangue , Corantes , Humanos , Molhabilidade
11.
J Interferon Cytokine Res ; 42(5): 235-241, 2022 05.
Artigo em Inglês | MEDLINE | ID: mdl-35533007

RESUMO

The expression and clinical significance of co-stimulator B7-H4 in acute pancreatitis (AP) is still unclear. In vitro study showed that the expression of soluble B7-H4 (sB7-H4) and proportions of membrane B7-H4-positive CD14+ cells in the peripheral blood mononuclear cells were upregulated in response to stimulation with plasma from AP patients, lipopolysaccharides, or tumor necrosis factor α (TNF-α). sB7-H4 in the plasma of AP patients were positively correlated with interleukin (IL)-6, IL-10, IL-17A, TNF-α, and interferon-γ The areas under the curves (AUCs) of receiver operating characteristic (ROC) curves of plasma sB7-H4 to distinguish the AP patients from healthy donors, the mild AP (MAP) from the moderately severe acute pancreatitis (MSAP)+severe acute pancreatitis (SAP) or the SAP from the MAP+MSAP were 0.78 (P < 0.001) or 0.773 (P < 0.001) or 0.764 (P < 0.001). sB7-H4 in the plasma of patients were positively correlated with the RANSON scores, Bedside Index of Severity of Acute Pancreatitis scores, Marshall scores, and Acute Physiology And Chronic Health Evaluation II scores; and the AUCs of ROC curves of plasma sB7-H4 in the prediction of local complications was 0.726 (P = 0.001). In conclusion, the co-stimulator B7-H4 is involved in the immune response in AP.


Assuntos
Pancreatite , Doença Aguda , Humanos , Leucócitos Mononucleares/metabolismo , Pancreatite/sangue , Pancreatite/diagnóstico , Prognóstico , Índice de Gravidade de Doença , Fator de Necrose Tumoral alfa/metabolismo , Regulação para Cima , Inibidor 1 da Ativação de Células T com Domínio V-Set/biossíntese , Inibidor 1 da Ativação de Células T com Domínio V-Set/sangue
12.
J Phys Chem Lett ; 12(4): 1144-1149, 2021 Feb 04.
Artigo em Inglês | MEDLINE | ID: mdl-33476156

RESUMO

In this work, we investigate the thermoelectric properties of aqueous KCl solutions confined in graphene nanochannels through molecular dynamics simulations. The channel height H ranges from 0.7 to 7.8 nm. It is found that the Seebeck coefficient, Se, and the figure of merit, ZT, of the KCl solution are highly sensitive to H when H is small. For the nanochannel of H = 1.0 nm, Se = 30.6 mV/K and ZT = 4.6 at room temperature, which are superior to most of the solid-state thermoelectric materials. The remarkable thermoelectric properties in small channels are attributed to the flow slip at the channel walls and the mean excess enthalpy density of the solution, which is mainly from the potential energy contribution. The molecular insight promotes the applications of nanofluidic devices for thermal energy harvesting.

13.
Biomed Res Int ; 2021: 1223850, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-34660778

RESUMO

As an important ligand in T lymphocyte costimulatory pathways, B7-H5 is involved deeply in the immune response in various diseases. However, its clinical usefulness as an early indicator in acute pancreatitis (AP) remains unclear. In this study, the levels of sB7-H5 and cytokines in plasma samples of 75 AP patients, 20 abdominal pain patients without AP, and 20 healthy volunteers were determined. Then, the correlation of sB7-H5 and clinical features, cytokines, the Ranson score, APACHE II score, Marshall score, and BISAP score was analysed, and the value of sB7-H5 for diagnostic, severity, and prognosis of AP was evaluated. We found that the levels of sB7-H5 were specifically upregulated in AP patients. Receiver operating characteristic (ROC) analysis revealed that sB7-H5 can identify AP patients from healthy or abdominal pain patients with 78.9% or 86.4% sensitivity and 93.3% or 90.0% specificity. Further analysis showed that the levels of sB7-H5 were significantly correlated with WBC (p = 0.004), GLU (p = 0.008), LDH (p < 0.001), Ca2+ (p = 0.006), AST (p = 0.009), PLT (p = 0.041), IL-6 (p < 0.001), IL-10 (p < 0.001), and TNF-α (p < 0.001). And levels of sB7-H5 were gradually increased among patients with mildly acute pancreatitis (MAP), moderately severe acute pancreatitis (MSAP), and severe acute pancreatitis (SAP). It can distinguish the severity of AP with good sensitivity and specificity. Moreover, when dividing the patients into two groups according to the median level of sB7-H5, the local complication and length of stay of low levels of the sB7-H5 group were significantly less than those in high levels of the sB7-H5 group. And the levels of sB7-H5 in AP patients were significantly correlated with the Ranson score (p < 0.001), APACHE II score (p < 0.001), Marshall score (p < 0.001), and BISAP score (p < 0.001). The AUCs of assessing local complications of sB7-H5 at day 1 and day 3 were 0.704 (p = 0.0024) and 0.727 (p = 0.0373). These results showed the potential value of sB7-H5 as a diagnostic, severity, and prognosis marker of AP.


Assuntos
Antígenos B7/sangue , Biomarcadores/sangue , Citocinas/sangue , Pancreatite/diagnóstico , Linfócitos T/imunologia , Adulto , Antígenos B7/imunologia , Feminino , Humanos , Masculino , Pessoa de Meia-Idade , Pancreatite/imunologia , Pancreatite/metabolismo , Prognóstico , Curva ROC , Índice de Gravidade de Doença
14.
Adv Sci (Weinh) ; 8(16): e2101331, 2021 08.
Artigo em Inglês | MEDLINE | ID: mdl-34174164

RESUMO

High-resolution fluid dispensing techniques play a critical role in modern digital microfluidics, micro-biosensing, and advanced fabrication. Though most of existing dispensers can achieve precise and high-throughput fluid dispensing, they suffer from some inherent problems, such as specially fabricated dispensing micronozzles/microtips, large operating systems, low volume tunability, and poor performance for low surface tension liquids and liquids containing solid/liquid additives. Herein, the authors propose a facile, low-frequency micro dispensing technique based on the Rayleigh-Plateau instability of singular liquid jets, which are stimulated by the air cavity collapse arising in the impact of microliter drops on non-wetting surfaces. This novel dispensing strategy is capable to produce single microdrops of low-viscosity liquids with a tunable volume from picoliters to nanoliters, and the operational surface tension range covers most laboratory solvents. The dispensing function is implemented without using small-dimension nozzles/tips and enables handling diverse complex liquids. Moreover, the rather simple operating platform allows the integration of the whole dispensing function into a handy portable device with a low cost. Employing this microdispensing technique, the authors have controlled microchemical reactions, handled liquid samples in biological analysis, and fabricated smart materials and devices. The authors envision that this rational microdrop generator would find applications in various research areas.

15.
New Phytol ; 188(3): 762-73, 2010 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-20796215

RESUMO

• Phospholipase D (PLD) hydrolyzes phospholipids to produce phosphatidic acid (PA) and a head group, and is involved in the response to various environmental stresses, including salinity. Here, we determined the roles of PLDα and PA in the mediation of salt (NaCl)-stress signaling through the regulation of mitogen-activated protein kinase (MAPK or MPK) in Arabidopsis thaliana. • NaCl-induced changes in the content and composition of PA were quantitatively profiled by electrospray ionization-tandem mass spectrometry (ESI-MS/MS). A specific PA species (a MAPK 16:0-18:2 PA), which was increased in abundance by exposure to NaCl, bound to a MPK6, according to filter binding and ELISA. The effect of PA on MPK6 activity was tested using in-gel analysis. • 16:0-18:2 PA stimulated the activity of MPK6 immunoprecipitated from Arabidopsis leaf extracts. Treatment with NaCl induced a transient activation of MPK6 in wild-type plant, but the activation was abolished in the pldα1 plant mutant. A plasma membrane Na(+)/H(+) antiporter (SOS1) was identified as a downstream target of MPK6. MPK6 phosphorylated the C-terminal fragment of SOS1. The MPK6 phosphorylation of SOS1 was stimulated by treatment with NaCl, as well as directly by PA. • These results suggest that PA plays a critical role in coupling MAPK cascades in response to salt stress.


Assuntos
Arabidopsis/metabolismo , Proteína Quinase 6 Ativada por Mitógeno/metabolismo , Ácidos Fosfatídicos/metabolismo , Tolerância ao Sal/fisiologia , Cloreto de Sódio/metabolismo , Arabidopsis/enzimologia , Proteínas de Arabidopsis/metabolismo , Membrana Celular , Genes de Plantas , Proteína Quinase 6 Ativada por Mitógeno/genética , Mutação , Fosfolipase D/metabolismo , Fosforilação , Folhas de Planta , Transdução de Sinais/fisiologia , Trocadores de Sódio-Hidrogênio/metabolismo , Estresse Fisiológico
16.
Phys Rev E ; 102(3-1): 033112, 2020 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-33075923

RESUMO

In this work, we use molecular dynamics simulations to study the transport of ions in electromechanical flows in slit-like graphene nanochannels. The variation of ionic currents indicates a nonlinear coupling between pressure-driven and electroosmotic flows, which enhances the ionic currents for electromechanical flows compared with the linear superposition of pressure-driven and electroosmotic flows. The nonlinear coupling is attributed to the reduction of the total potential energy barrier due to the density variations of ions and water molecules in the channel. The numerical results may offer molecular insights into the design of nanofluidic devices for energy conversion.

17.
J Gen Physiol ; 149(3): 373-387, 2017 Mar 06.
Artigo em Inglês | MEDLINE | ID: mdl-28196879

RESUMO

Large conductance Ca2+-activated K+ channels (BK channels) gate open in response to both membrane voltage and intracellular Ca2+ The channel is formed by a central pore-gate domain (PGD), which spans the membrane, plus transmembrane voltage sensors and a cytoplasmic gating ring that acts as a Ca2+ sensor. How these voltage and Ca2+ sensors influence the common activation gate, and interact with each other, is unclear. A previous study showed that a BK channel core lacking the entire cytoplasmic gating ring (Core-MT) was devoid of Ca2+ activation but retained voltage sensitivity (Budelli et al. 2013. Proc. Natl. Acad. Sci. USA http://dx.doi.org/10.1073/pnas.1313433110). In this study, we measure voltage sensor activation and pore opening in this Core-MT channel over a wide range of voltages. We record gating currents and find that voltage sensor activation in this truncated channel is similar to WT but that the coupling between voltage sensor activation and gating of the pore is reduced. These results suggest that the gating ring, in addition to being the Ca2+ sensor, enhances the effective coupling between voltage sensors and the PGD. We also find that removal of the gating ring alters modulation of the channels by the BK channel's ß1 and ß2 subunits.


Assuntos
Ativação do Canal Iônico/fisiologia , Canais de Potássio Ativados por Cálcio de Condutância Alta/metabolismo , Potenciais da Membrana/fisiologia , Modelos Teóricos , Animais , Cálcio/metabolismo , Oócitos , Técnicas de Patch-Clamp , Xenopus laevis
18.
Nanoscale Res Lett ; 12(1): 413, 2017 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-28622718

RESUMO

In this work, we investigate the dynamics mechanism of oil transportation in nanochannel using molecular dynamics simulations. It is demonstrated that the interaction between oil molecules and nanochannel has a great effect on the transportation properties of oil in nanochannel. Because of different interactions between oil molecules and channel, the center of mass (COM) displacement of oil in a 6-nm channel is over 30 times larger than that in a 2-nm channel, and the diffusion coefficient of oil molecules at the center of a 6-nm channel is almost two times more than that near the channel surface. Besides, it is found that polarity of oil molecules has the effect on impeding oil transportation, because the electrostatic interaction between polar oil molecules and channel is far larger than that between nonpolar oil molecules and channel. In addition, channel component is found to play an important role in oil transportation in nanochannel, for example, the COM displacement of oil in gold channel is very few due to great interaction between oil and gold substrate. It is also found that nano-sized roughness of channel surface greatly influences the speed and flow pattern of oil. Our findings would contribute to revealing the mechanism of oil transportation in nanochannels and therefore are very important for design of oil extraction in nanochannels.

19.
Sci Rep ; 6: 26914, 2016 05 31.
Artigo em Inglês | MEDLINE | ID: mdl-27243752

RESUMO

With remarkably interesting surface activities, two-dimensional Janus materials arouse intensive interests recently in many fields. We demonstrate by molecular dynamic simulations that hydrofluorinated Janus graphene (J-GN) can self-assemble into Janus nanoscroll (J-NS) at room temperature. The van der Waals (vdW) interaction and the coupling of C-H/π/C-F interaction and π/π interaction are proven to offer the continuous driving force of self-assembly of J-GN. The results show that J-GN can self-assemble into various J-NSs structures, including arcs, multi-wall J-NS and arm-chair-like J-NS by manipulating its original geometry (size and aspect ratio). Moreover, we also investigated self-assembly of hydrofluorinated J-GN and Fe nanowires (NWs), suggesting that Fe NW is a good alternative to activate J-GN to form J-NS. Differently, the strong vdW interaction between J-GN and Fe NW provides the main driving force of the self-assembly. Finally, we studied the hydrogen sorption over the formed J-NS with a considerable interlayer spacing, which reaches the US DOE target, indicating that J-NS is a promising candidate for hydrogen storage by controlling the temperature of system. Our theoretical results firstly provide a versatile route for designing novel J-NS from 2D Janus nanomaterials, which has a great potential application in the realm of hydrogen storage/separation.

20.
ACS Appl Mater Interfaces ; 7(51): 28502-7, 2015 Dec 30.
Artigo em Inglês | MEDLINE | ID: mdl-26632974

RESUMO

Using the van-der-Waals-corrected density functional theory (DFT) and molecular dynamic (MD) simulations, we theoretically predict the H2 separation performance of a new two-dimensional sp(2) carbon allotropes-fused pentagon network. The DFT calculations demonstrate that the fused pentagon network with proper pore sizes presents a surmountable energy barrier (0.18 eV) for H2 molecule passing through. Furthermore, the fused pentagon network shows an exceptionally high selectivity for H2/gas (CO, CH4, CO2, N2, et al.) at 300 and 450 K. Besides, using MD simulations we demonstrate that the fused pentagon network exhibits a H2 permeance of 4 × 10(7) GPU at 450 K, which is much higher than the value (20 GPU) in the current industrial applications. With high selectivity and excellent permeability, the fused pentagon network should be an excellent candidate for H2 separation.

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