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1.
J Chem Phys ; 159(20)2023 Nov 28.
Artigo em Inglês | MEDLINE | ID: mdl-37991161

RESUMO

The cooperative emission of interacting nanocrystals is an exciting topic fueled by recent reports of superfluorescence and superradiance in assemblies of perovskite nanocubes. Several studies estimated that coherent coupling is localized to a small fraction of nanocrystals (10-7-10-3) within the assembly, raising questions about the origins of localization and ways to overcome it. In this work, we examine single-excitation superradiance by calculating radiative decays and the distribution of superradiant wave function in two-dimensional CsPbBr3 nanocube superlattices. The calculations reveal that the energy disorder caused by size distribution and large interparticle separations reduces radiative coupling and leads to the excitation localization, with the energy disorder being the dominant factor. The single-excitation model clearly predicts that, in the pursuit of cooperative effects, having identical nanocubes in the superlattice is more important than achieving a perfect spatial order. The monolayers of large CsPbBr3 nanocubes (LNC = 10-20 nm) are proposed as model systems for experimental tests of superradiance under conditions of non-negligible size dispersion, while small nanocubes (LNC = 5-10 nm) are preferred for realizing the Dicke state under ideal conditions.

2.
Lett Appl Microbiol ; 75(3): 616-622, 2022 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-35285051

RESUMO

Antimicrobial resistance has silently turned into one of the biggest threats to global health, marking the fall of the Golden age of antibiotics. In the search for antibiotic replacement or enhancement, plant-derived natural compounds have attracted lots of interest. Even though firmly believed, the low-resistance tendency of pathogenic bacteria against plant extracts has been scarcely demonstrated. In this study, we investigated the antibacterial activities of diethyl ether extracts from six medicinal plants grown in Viet Nam against Staphylococcus aureus and its variants, which were in vitro adapted to the same extracts. After 30 passages of S. aureus growing under sub-lethal concentrations of plant extracts or antibiotics, the bacteria slowly adapted to the extracts while rapidly resisting the antibiotics. Most of the resulting strains obtained from the adaptation to plant extracts were collaterally sensitive to antibiotics. In contrast, antibiotic-adapted strains showed cross-resistance to both antibiotics and extracts. The findings provided evidence of the low-resistance tendency of S. aureus to antimicrobial plant extracts. It is the first time a collateral antibiotic sensitivity of S. aureus adapted to natural compounds has been observed, suggesting an alternative approach to fight antibiotic resistance.


Assuntos
Anti-Infecciosos , Plantas Medicinais , Infecções Estafilocócicas , Antibacterianos/farmacologia , Antibacterianos/uso terapêutico , Anti-Infecciosos/farmacologia , Bactérias , Sensibilidade Colateral a Medicamentos , Farmacorresistência Bacteriana , Éter , Testes de Sensibilidade Microbiana , Extratos Vegetais/farmacologia , Infecções Estafilocócicas/tratamento farmacológico , Staphylococcus aureus , Vietnã
3.
Int J Mol Sci ; 23(9)2022 Apr 25.
Artigo em Inglês | MEDLINE | ID: mdl-35563107

RESUMO

MicroRNAs (miRNAs) are essential post-transcriptional gene regulators involved in various neuronal and non-neuronal cell functions and play a key role in pathological conditions. Numerous studies have demonstrated that miRNAs are dysregulated in major neurodegenerative diseases, such as Alzheimer's disease, Parkinson's disease, multiple sclerosis, amyotrophic lateral sclerosis, or Huntington's disease. Hence, in the present work, we constructed a comprehensive overview of individual microRNA alterations in various models of the above neurodegenerative diseases. We also provided evidence of miRNAs as promising biomarkers for prognostic and diagnostic approaches. In addition, we summarized data from the literature about miRNA-based therapeutic applications via inhibiting or promoting miRNA expression. We finally identified the overlapping miRNA signature across the diseases, including miR-128, miR-140-5p, miR-206, miR-326, and miR-155, associated with multiple etiological cellular mechanisms. However, it remains to be established whether and to what extent miRNA-based therapies could be safely exploited in the future as effective symptomatic or disease-modifying approaches in the different human neurodegenerative disorders.


Assuntos
Esclerose Lateral Amiotrófica , Doença de Huntington , MicroRNAs , Doenças Neurodegenerativas , Esclerose Lateral Amiotrófica/diagnóstico , Esclerose Lateral Amiotrófica/genética , Esclerose Lateral Amiotrófica/terapia , Biomarcadores , Humanos , Doença de Huntington/diagnóstico , Doença de Huntington/genética , Doença de Huntington/terapia , MicroRNAs/metabolismo , Doenças Neurodegenerativas/diagnóstico , Doenças Neurodegenerativas/genética , Doenças Neurodegenerativas/terapia
4.
Trop Anim Health Prod ; 52(1): 53-62, 2020 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-31267344

RESUMO

Commercial small-scale chicken farms managed as all-in-all-out but operating with low standards of hygiene/biosecurity are increasingly common in Vietnam. These conditions facilitate the transmission of gastrointestinal helminths. However, there are no published data on helminths in these systems. We aimed (1) to determine the prevalence/burden of gastrointestinal helminths in small-scale commercial flocks in the Mekong Delta region and (2) to investigate the association between worm burdens and birds' weight and disease status. Randomly selected chickens (n = 120) from 'normal' flocks were investigated at the end of their production cycle (~ 18 weeks), as well as 90 chickens from 'diseased' flocks with signs of respiratory and/or severe disease. The gastrointestinal tract of chickens was dissected and all visible helminths were identified and counted. A total of 54.2% and 54.4% normal and diseased chickens contained helminths. Among colonised birds, the diseased ones harboured a higher mass of helminth worms than normal (healthy) birds (3.8 ± SD 8.6 g vs. 1.9 ± SD 6.3 g, respectively). Eight species were identified, including nematodes (Ascaridia galli, Cheilospirura hamulosa and Heterakis gallinarum), cestodes (Hymenolepis, Raillietina cesticillus, Raillietina echinobothrida, Raillietina tetragona,) and one trematode (Echinostomatidae). Heterakis gallinarum was the most prevalent helminth (43.3% and 42.2% in normal and sick chickens, respectively), followed by A. galli (26.7% and 41.1%). Colonised chickens weighed 101.5 g less than non-colonised birds. Colonisation was higher during the rainy months (May-November) for both H. gallinarum and A. galli. Anthelminthic usage was not associated with reduced helminth burdens. We recommend upgrading cleaning and disinfection and limiting access to ranging areas to control helminths in small-scale chicken flocks.


Assuntos
Trato Gastrointestinal/parasitologia , Helmintíase Animal/parasitologia , Helmintos/isolamento & purificação , Doenças das Aves Domésticas/parasitologia , Animais , Anti-Helmínticos/uso terapêutico , Peso Corporal/efeitos dos fármacos , Cestoides/classificação , Cestoides/isolamento & purificação , Galinhas , Fazendas , Helmintíase Animal/tratamento farmacológico , Helmintos/classificação , Nematoides/classificação , Nematoides/isolamento & purificação , Prevalência , Trematódeos/classificação , Trematódeos/isolamento & purificação , Vietnã
5.
Water Sci Technol ; 80(6): 1011-1021, 2019 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-31799945

RESUMO

We investigated the operating conditions of a baffled membrane bioreactor (B-MBR) under which long-term stable operation can be achieved through the continuous operation of a pilot-scale B-MBR. Under appropriate operating conditions, the B-MBR was capable of achieving excellent treated water quality in terms of biochemical oxygen demand and concentration of total nitrogen. Excellent removal of total phosphorus was also achieved. In addition, the degree of membrane fouling was acceptable, indicating that stable continuous operation of a B-MBR is possible under the operating conditions adopted in the present study. Estimation of the specific energy consumption in hypothetical full-scale B-MBRs operated under the conditions recommended by the findings was also performed in this study. The results suggest that energy consumption in full-scale B-MBRs would be in the range of 0.20-0.22 kWh/m3. These results strongly suggest that energy consumption in MBR operation can be significantly reduced by applying the concept of a B-MBR.


Assuntos
Membranas Artificiais , Eliminação de Resíduos Líquidos , Reatores Biológicos , Membranas , Fósforo
6.
Water Sci Technol ; 77(11-12): 2803-2811, 2018 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-30065132

RESUMO

In this study, we investigated the effects of recirculation and separation times on removals of organic matter, nitrogen, and phosphorus in a baffled membrane bioreactor (B-MBR) treating real municipal wastewater. A pilot-scale B-MBR experimental apparatus was operated under two different sets of recirculation and separation times. The results revealed that, irrespective of operating conditions, the biochemical oxygen demand (BOD) and concentration of total nitrogen (T-N) in the treated water can be lowered to less than 3 and 5 mg/L, respectively. Although T-N was effectively removed in the two different operating conditions, increase in the fraction of recirculation time results in tiny deterioration of nitrogen removal efficiency in the B-MBR. Phosphorus removal efficiency was also slightly decreased as the fraction of recirculation time (ratio between recirculation and separation times) was increased. The results of the measurement of dissolved oxygen (DO) profiles at different points of the B-MBR apparatus indicate that the increase in DO concentration in the anoxic zone of the B-MBR becomes much more pronounced by increasing recirculation intensity. On the basis of the results obtained in this study, it can be concluded that efficient removal of BOD, T-N, and total phosphorus can be achieved by the B-MBR as long as appropriate recirculation intensity is selected.


Assuntos
Reatores Biológicos , Nitrogênio/metabolismo , Eliminação de Resíduos Líquidos/instrumentação , Eliminação de Resíduos Líquidos/métodos , Desnitrificação , Membranas Artificiais , Nitrogênio/análise , Oxigênio/metabolismo , Fósforo/metabolismo , Fatores de Tempo , Águas Residuárias/química
7.
Genet Mol Res ; 14(3): 9181-90, 2015 Aug 07.
Artigo em Inglês | MEDLINE | ID: mdl-26345851

RESUMO

Hopea chinensis (synonym: H. hongayensis) (Dipterocarpaceae) is a threatened species found so far in only two locations: Quang Ninh (Vietnam) and Guangxi (China). The species shares many morphological characteristics with H. mollissima and the two species are often confused. To overcome this problem of identification and to investigate the genetic relationships of Hopea species with other Dipterocarp species, we sequenced three candidate DNA barcodes for the chloroplast markers rbcL, trnH-psbA, and matK. These markers were used separately and in different combinations to determine whether they could establish an accurate and effective identification system for H. chinensis in Quang Ninh (Vietnam). Our analyses indicated that two of the candidate DNA barcodes, matK and rbcL, performed best. We also generated a neighbor-joining phylogenetic tree and confirmed the presence of four Hopea species (H. odorata, H. hainanensis, H. mollissima, and H. chinensis) in nature reserves and natural parks of Vietnam. These species showed a close relationship with an average genetic distance of 0.0045; both matK and rbcL separated all species, but their use in combination gave higher bootstrap values. The matK region was found to provide the most reliable barcode for the identification of the most closely related Dipterocarp species. Our study provides a means to identify rare Hopea species non-ambiguously and to support the protection of this decreasing natural genetic resource.


Assuntos
Código de Barras de DNA Taxonômico , Dipterocarpaceae/classificação , Dipterocarpaceae/genética , Sequência de Bases , DNA de Cloroplastos , DNA de Plantas , Marcadores Genéticos , Dados de Sequência Molecular , Fenótipo , Filogenia , Alinhamento de Sequência , Análise de Sequência de DNA , Vietnã
8.
Pharmacol Rep ; 75(1): 3-18, 2023 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-36624355

RESUMO

Artificial intelligence (AI) is a machine science that can mimic human behaviour like intelligent analysis of data. AI functions with specialized algorithms and integrates with deep and machine learning. Living in the digital world can generate a huge amount of medical data every day. Therefore, we need an automated and reliable evaluation tool that can make decisions more accurately and faster. Machine learning has the potential to learn, understand and analyse the data used in healthcare systems. In the last few years, AI is known to be employed in various fields in pharmaceutical science especially in pharmacological research. It helps in the analysis of preclinical (laboratory animals) and clinical (in human) trial data. AI also plays important role in various processes such as drug discovery/manufacturing, diagnosis of big data for disease identification, personalized treatment, clinical trial research, radiotherapy, surgical robotics, smart electronic health records, and epidemic outbreak prediction. Moreover, AI has been used in the evaluation of biomarkers and diseases. In this review, we explain various models and general processes of machine learning and their role in pharmacological science. Therefore, AI with deep learning and machine learning could be relevant in pharmacological research.


Assuntos
Algoritmos , Inteligência Artificial , Humanos , Aprendizado de Máquina , Descoberta de Drogas
9.
Insects ; 14(6)2023 Jun 03.
Artigo em Inglês | MEDLINE | ID: mdl-37367335

RESUMO

In this study, we investigated the effects of different diets on the development and reproduction of the predatory mite Amblyseius eharai. The results show that feeding on citrus red mite (Panonychus citri) led to the fastest life cycle completion (6.9 ± 0.22 days), the longest oviposition period (26.19 ± 0.46 days), the greatest female longevity (42.03 ± 0.43 days), and the highest total number of eggs per female (45.63 ± 0.94 eggs). Feeding on Artemia fanciscana cysts resulted in the highest oviposition rate (1.98 ± 0.04 eggs), a high total number of eggs per female (33.93 ± 0.36 eggs), and the highest intrinsic rate of increase (rm = 0.242). The hatching rate did not differ significantly among the five types of food, and the proportion of females ranged from 60% to 65% across all diets.

10.
Braz J Biol ; 84: e264369, 2022.
Artigo em Inglês | MEDLINE | ID: mdl-36287528

RESUMO

Panax vietnamensis Ha et Grushv. is a precious medicinal species native to the tropical forests of Vietnam. Due to habitat loss and over-harvesting, this species is endangered in Vietnam. To conserve the species, we investigated genetic variability and population structure using nine microsatellites for 148 individuals from seven populations across the current distribution range of P. vietnamensis in Vietnam. We determined a moderate genetic diversity within populations (HO = 0.367, HE = 0.437) and relatively low population differentiation (the Weir and Cockerham index of 0.172 and the Hedrick index of 0.254) and showed significant differentiation (P < 0.05), which suggested fragmented habitats, over-utilization and over-harvesting of P. vietnamensis. Different clustering methods revealed that individuals were grouped into two major clusters, which were associated with gene flow across the geographical range of P. vietnamensis. This study also detected that ginseng populations can have undergone a recent bottleneck. We recommend measures in future P. vietnamensis conservation and breeding programs.


Assuntos
Panax , Humanos , Panax/genética , Panax/química , Vietnã , Melhoramento Vegetal , Repetições de Microssatélites/genética , Povo Asiático , Variação Genética/genética
11.
Viruses ; 14(10)2022 10 17.
Artigo em Inglês | MEDLINE | ID: mdl-36298836

RESUMO

Severe fever with thrombocytopenia syndrome (SFTS), an emerging tick-borne viral disease, is prevalent in East Asia and has also been reported in Southeast Asia since 2019. SFTS patients in Vietnam were first reported in 2019. However, the seroprevalence of severe fever with thrombocytopenia syndrome virus (SFTSV) in Vietnam has not been reported. To investigate the seroprevalence of SFTSV in Vietnam, we collected serum samples from 714 healthy residents in Thua Thien Hue and Quang Nam Province, Vietnam, and the seroprevalence of SFTSV was assessed using immunofluorescence antibody assay (IFA), Enzyme-Linked Immunosorbent Assays (ELISAs) and the 50% focus reduction neutralization test (FRNT50) assay. The seroprevalence of anti-SFTSV IgM or IgG was observed to be 3.64% (26/714), high IgM positivity was >80 (0.28%, 2/714) and the titer of neutralizing antibodies against SFTSV ranged from 15.5 to 55.9. In Pakistan, SFTSV infection confirmed using a microneutralization test (MNT) assay (prevalence is 2.5%) and ELISAs showed a high seroprevalence (46.7%) of SFTSV. Hence, the seroprevalence rate in Vietnam is similar to that in Pakistan and the number of SFTS patients could increase in Vietnam.


Assuntos
Infecções por Bunyaviridae , Phlebovirus , Febre Grave com Síndrome de Trombocitopenia , Doenças Transmitidas por Carrapatos , Humanos , Estudos Soroepidemiológicos , Vietnã/epidemiologia , Anticorpos Antivirais , Anticorpos Neutralizantes , Imunoglobulina M , Imunoglobulina G
12.
Bull Soc Pathol Exot ; 104(4): 313-20, 2011 Oct.
Artigo em Francês | MEDLINE | ID: mdl-21643648

RESUMO

Dengue has emerged in Vietnam 50 years ago and since has become endemo-epidemic throughout the whole country. Each year, major epidemics of dengue fever (DF) and dengue hemorrhagic fever (DHF) hit South Vietnam during the rainy season, causing significant morbidity and mortality, especially among young children. The only preventive measure is vector control, but it is often implemented too late or indiscriminately. The aim of this study was to investigate, in the pre-epidemic stage, the existence of significant changes in vector indices, which will predict DF/DHF outbreaks. We conducted a descriptive transversal study, repeated once a month for four months (March to June) in the village of Locthuan (province Ben Tre) in the Mekong's delta. Adult mosquitoes were caught in 30 houses, and larvae were collected in water holding containers of 50 houses. The houses were randomly selected. Vector densities were calculated according to the indices recommended by WHO. Virological analysis was carried out on lots of female Aedes and larvae in order to determine viral infection rates. Catches of adult mosquitoes collected 496 specimens including 329 Aedes, 139 Culex and 28 Anopheles. Aedes aegypti was present in 63% of visited homes that is an average density of 1.8 mosquitoes per house. The increase in imaginal indices during the 4 months was not significant. The survey of breeding sites of Ae. aegypti identified 1292 water containers in which 71,569 larval specimens were collected. The values of house index, container index [CI] and Breteau index [BI] increased each month, the latter from 166 to 442. This increase was significant for CI and BI. Breeding sites were mostly intra-home, mainly consisting of large and small ceramic jars. Larval density of Ae. aegypti in the containers also increased significantly over the 4 months. It was correlated with the lack of cover and predators such as Mesocyclops spp., Micronecta spp. and larvivorous fishes. Cultivation of 15 pools of 10 adult females and 29 pools of larvae (ie 1088 specimens) of Ae. aegypti failed to isolate dengue virus. The high Stegomyia indices measured in this South Vietnamese village and their increase before the rainy season reflect a situation at high risk of epidemics but cannot predict the occurrence of an outbreak in the absence of virus isolation from mosquitoes. They justify conducting an integrated vector control throughout the year.


Assuntos
Dengue/epidemiologia , Dengue/transmissão , Insetos Vetores , Controle de Mosquitos/métodos , Aedes/virologia , Animais , Culex/virologia , Dengue/prevenção & controle , Vírus da Dengue/isolamento & purificação , Feminino , Humanos , Larva/virologia , Densidade Demográfica , Chuva , Estações do Ano , Vietnã/epidemiologia
13.
Br J Pharmacol ; 178(18): 3747-3764, 2021 09.
Artigo em Inglês | MEDLINE | ID: mdl-33931856

RESUMO

BACKGROUND AND PURPOSE: The pathogenesis of amyotrophic lateral sclerosis (ALS) is not fully clarified, although excessive glutamate (Glu) transmission and the downstream cytotoxic cascades are major mechanisms for motor neuron death. Two metabotropic glutamate receptors (mGlu1 and mGlu5 ) are overexpressed in ALS and regulate cellular disease processes. Expression and function of mGlu5 receptors are altered at early symptomatic stages in the SOD1G93A mouse model of ALS and knockdown of mGlu5 receptors in SOD1G93A mice improved disease progression. EXPERIMENTAL APPROACH: We treated male and female SOD1G93A mice with 2-chloro-4-((2,5-dimethyl-1-(4-(trifluoromethoxy)phenyl)-1H-imidazol-4-yl)ethynyl)pyridine (CTEP), an orally available mGlu5 receptor negative allosteric modulator (NAM), using doses of 2 mg·kg-1 per 48 h or 4 mg·kg-1 per 24 h from Day 90, an early symptomatic disease stage. Disease progression was studied by behavioural and histological approaches. KEY RESULTS: CTEP dose-dependently ameliorated clinical features in SOD1G93A mice. The lower dose increased survival and improved motor skills in female mice, with barely positive effects in male mice. Higher doses significantly ameliorated disease symptoms and survival in both males and females, females being more responsive. CTEP also reduced motor neuron death, astrocyte and microglia activation, and abnormal glutamate release in the spinal cord, with equal effects in male and female mice. No differences were also observed in CTEP access to the brain. CONCLUSION AND IMPLICATIONS: Our results suggest that mGlu5 receptors are promising targets for the treatment of ALS and highlight mGlu5 receptor NAMs as effective pharmacological tools with translational potential.


Assuntos
Esclerose Lateral Amiotrófica , Esclerose Lateral Amiotrófica/tratamento farmacológico , Animais , Modelos Animais de Doenças , Progressão da Doença , Feminino , Ácido Glutâmico , Masculino , Camundongos , Camundongos Transgênicos , Receptor de Glutamato Metabotrópico 5 , Medula Espinal , Superóxido Dismutase , Superóxido Dismutase-1/genética
15.
Rev Pneumol Clin ; 65(5): 297-9, 2009 Oct.
Artigo em Francês | MEDLINE | ID: mdl-19878804

RESUMO

Tracheal or bronchial aspergillar locations are rare. They are mainly found in patients with general or localised immune deficiency. The authors report the case of a 53-year-old Vietnamese immunocompetent patient without any factors of risk who suddenly came down with a perforation syndrome indicating a tracheo-oesophageal fistula. The bronchial samples helped identify Aspergillus niger as the agent incriminated. Surgical treatment associated with an antifungal treatment provided a cure without any recurrence for 3 years.


Assuntos
Aspergillus niger/isolamento & purificação , Imunocompetência , Aspergilose Pulmonar/diagnóstico , Fístula Traqueoesofágica/diagnóstico , Fístula Traqueoesofágica/microbiologia , Antifúngicos/uso terapêutico , Humanos , Itraconazol/uso terapêutico , Masculino , Pessoa de Meia-Idade , Aspergilose Pulmonar/tratamento farmacológico , Aspergilose Pulmonar/cirurgia , Fístula Traqueoesofágica/tratamento farmacológico , Fístula Traqueoesofágica/cirurgia , Resultado do Tratamento
16.
Rev Sci Instrum ; 90(11): 114901, 2019 Nov 01.
Artigo em Inglês | MEDLINE | ID: mdl-31779385

RESUMO

We present a procedure dedicated to the calibration of a scanning thermal microscopy probe operated in an active mode and a modulated regime especially for the measurement of solid material thermal conductivities. The probe used is a microthermocouple wire mounted on a quartz tuning fork. Measurements on reference samples are performed successively in vacuum and ambient air conditions revealing a clear difference in the dependence of the thermal interaction between the probe and the sample on the sample properties. Analytical modeling based on the resolution of the heat equation in the wire probe and a description of the thermal interaction using a network of thermal conductances are used to fit experimental data and analyze this difference. We have experimentally verified that the effective thermal contact radius of the probe tip depends on the sample thermal conductivity in ambient conditions, whereas it remains constant in vacuum. We have defined the measurement range of the technique based on the decrease in the probe sensitivity at high thermal conductivities. Considering the experimental noise of our electrical device, it is shown that the maximum measurable value of thermal conductivity is near 23 W m-1 K-1 in vacuum and 37 W m-1 K-1 in ambient air conditions. Moreover, the lowest uncertainties are obtained for thermal conductivities below 5 W m-1 K-1 typically.

17.
Opt Express ; 15(18): 11364-9, 2007 Sep 03.
Artigo em Inglês | MEDLINE | ID: mdl-19547494

RESUMO

A ridge-waveguide InGaAs/GaAsP laser, emitting up to 250 mW in a single lateral and longitudinal mode at a wavelength of 894 nm, is presented. The distributed feedback is provided by a second order grating, formed into an InGaP/GaAs/InGaP multilayer structure. Owing to the stable lasing frequency, the large side mode suppression ratio (> 40 dB) and small spectral line width (< 200 kHz) the diode laser is well suited for caesium D1 spectroscopy. This was verified by the measurement of the hyperfine structure of the D1 line.

18.
J Phys Chem B ; 110(3): 1141-50, 2006 Jan 26.
Artigo em Inglês | MEDLINE | ID: mdl-16471656

RESUMO

We present a detailed optoelectronic and vibrational study devoted to the transformation from neutral to doped PPV-ether copolymer in both powder and thin film states. The full geometries were optimized with the density functional theory (DFT) for neutral and doped states, where a comparative geometric study was established. The lowest singlet excited-state geometries have been investigated by using the configuration interaction single (CIS/3-21G(d)) method. The absorption spectra are then calculated respectively on the basis of the ground- and excited-state geometries. Our calculation results are in close agreement with those available from experiments. The charge distribution and excitation energies of singly charged PPV-ether are calculated, where two subgap absorption features are found to dominate the optical spectrum correlated with the polaron picture. These theoretical results are compared to experimental optical data illustrated by iodine-doped PPV-ether. Next, we have performed a simulation to model the conformations and the electronic structure modifications of interface formation of PPV-ether copolymer thin film with calcium (Ca), magnesium (Mg), and aluminum (Al) metal as a cathode and indium tin oxide (ITO) as anode in polymer LEDs. By providing the optical parameter obtained and the chemical reaction at the interface, we present the energetic diagram near the interface and the energy position of the lowest occupied molecular orbital with respect to the electrode Fermi level.

19.
Lab Chip ; 16(17): 3251-9, 2016 08 16.
Artigo em Inglês | MEDLINE | ID: mdl-27412355

RESUMO

Here, we introduce a simple and fast method for bonding a poly(dimethylsiloxane) (PDMS) silicone elastomer to different plastics. In this technique, surface modification and subsequent bonding processes are performed at room temperature. Furthermore, only one chemical is needed, and no surface oxidation step is necessary prior to bonding. This bonding method is particularly suitable for encapsulating biomolecules that are sensitive to external stimuli, such as heat or plasma treatment, and for embedding fracturable materials prior to the bonding step. Microchannel-fabricated PDMS was first oxidized by plasma treatment and reacted with aminosilane by forming strong siloxane bonds (Si-O-Si) at room temperature. Without the surface oxidation of the amine-terminated PDMS and plastic, the two heterogeneous substrates were brought into intimate physical contact and left at room temperature. Subsequently, aminolysis occurred, leading to the generation of a permanent seal via the formation of robust urethane bonds after only 5 min of assembling. Using this method, large-area (10 × 10 cm) bonding was successfully realized. The surface was characterized by contact angle measurements and X-ray photoelectron spectroscopy (XPS) analyses, and the bonding strength was analyzed by performing peel, delamination, leak, and burst tests. The bond strength of the PDMS-polycarbonate (PC) assembly was approximately 409 ± 6.6 kPa, and the assembly withstood the injection of a tremendous amount of liquid with the per-minute injection volume exceeding 2000 times its total internal volume. The thermal stability of the bonded microdevice was confirmed by performing a chamber-type multiplex polymerase chain reaction (PCR) of two major foodborne pathogens - Escherichia coli O157:H7 and Salmonella typhimurium - and assessing the possibility for on-site direct detection of PCR amplicons. This bonding method demonstrated high potential for the stable construction of closed microfluidic systems socketed with biomolecule-immobilized surfaces such as DNA, antibody, enzyme, peptide, and protein microarrays.


Assuntos
Técnicas de Tipagem Bacteriana/instrumentação , Materiais Biomiméticos/química , Dimetilpolisiloxanos/química , Inspeção de Alimentos/instrumentação , Microquímica/instrumentação , Tipagem Molecular/instrumentação , Plásticos/química , Escherichia coli O157/classificação , Escherichia coli O157/isolamento & purificação , Estudos de Viabilidade , Humanos , Teste de Materiais , Oxirredução , Cimento de Policarboxilato/química , Resinas Sintéticas/química , Salmonella typhimurium/classificação , Salmonella typhimurium/isolamento & purificação , Propriedades de Superfície , Temperatura
20.
J Gen Physiol ; 111(6): 703-15, 1998 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-9607932

RESUMO

The D4/S4-5 interhelical region plays a role in sodium channel fast inactivation. Examination of S4-5 primary structure in all domains suggests a possible amphipathic helical conformation in which a conserved group of small hydrophobic residues occupies one contiguous surface with a more variable complement of nonpolar and polar residues on the opposite face. We evaluated this potential structure by replacing each residue in D4/S4-5 of the rat SkM1 skeletal muscle sodium channel with substitutions having different side chain properties. Of the 63 mutations analyzed, 44 produced functional channels. P1473 was intolerant of substitutions. Nonpolar substitutions in the conserved hydrophobic region were functionally similar to wild type, while charged mutations in this region before P1473 were nonfunctional. Charged mutations at F1466, M1469, M1470, and A1474, located on the opposite surface of the predicted helix, produced functional channels with pronounced slowing of inactivation, shifted voltage dependence of steady-state inactivation, and increased rate of recovery from inactivation. The substituted-cysteine-accessibility method was used to probe accessibility at each position. Residues L1465, F1466, A1467, M1469, M1470, L1472, A1474, and F1476C were easily accessible for modification by sulfhydryl reagents; L1464, L1468, S1471, and L1475 were not accessible within the time frame of our measurements. Molecular dynamics simulations of residues A1458 to N1477 were then used to explore energetically favorable local structures. Based on mutagenesis, substituted-cysteine-accessibility method, and modeling results, we suggest a secondary structure for the D4/S4-5 region in which the peptide chain is alpha-helical proximal to P1473, bends at this residue, and may continue beyond this point as a random coil. In this configuration, the entire resultant loop is amphipathic; four residues on one surface could form part of the binding site for the inactivation particle.


Assuntos
Canais de Sódio/metabolismo , Animais , Células Cultivadas , Cisteína/metabolismo , Estimulação Elétrica , Eletrofisiologia , Cinética , Potenciais da Membrana/fisiologia , Modelos Estruturais , Mutagênese Sítio-Dirigida , Mutação/fisiologia , Técnicas de Patch-Clamp , Ratos , Bloqueadores dos Canais de Sódio , Canais de Sódio/genética , Reagentes de Sulfidrila
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