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1.
Proc Natl Acad Sci U S A ; 119(11): e2119417119, 2022 03 15.
Artigo em Inglês | MEDLINE | ID: mdl-35263219

RESUMO

Colistin is considered the last-line antimicrobial for the treatment of multidrug-resistant gram-negative bacterial infections. The emergence and spread of superbugs carrying the mobile colistin resistance gene (mcr) have become the most serious and urgent threat to healthcare. Here, we discover that silver (Ag+), including silver nanoparticles, could restore colistin efficacy against mcr-positive bacteria. We show that Ag+ inhibits the activity of the MCR-1 enzyme via substitution of Zn2+ in the active site. Unexpectedly, a tetra-silver center was found in the active-site pocket of MCR-1 as revealed by the X-ray structure of the Ag-bound MCR-1, resulting in the prevention of substrate binding. Moreover, Ag+effectively slows down the development of higher-level resistance and reduces mutation frequency. Importantly, the combined use of Ag+ at a low concentration with colistin could relieve dermonecrotic lesions and reduce the bacterial load of mice infected with mcr-1­carrying pathogens. This study depicts a mechanism of Ag+ inhibition of MCR enzymes and demonstrates the potentials of Ag+ as broad-spectrum inhibitors for the treatment of mcr-positive bacterial infection in combination with colistin.


Assuntos
Antibacterianos , Colistina , Farmacorresistência Bacteriana Múltipla , Proteínas de Escherichia coli , Escherichia coli , Prata , Antibacterianos/farmacologia , Colistina/farmacologia , Farmacorresistência Bacteriana Múltipla/efeitos dos fármacos , Farmacorresistência Bacteriana Múltipla/genética , Escherichia coli/efeitos dos fármacos , Escherichia coli/enzimologia , Escherichia coli/genética , Proteínas de Escherichia coli/antagonistas & inibidores , Proteínas de Escherichia coli/genética , Testes de Sensibilidade Microbiana , Plasmídeos/genética , Prata/farmacologia
2.
Nano Lett ; 24(5): 1660-1666, 2024 Feb 07.
Artigo em Inglês | MEDLINE | ID: mdl-38266180

RESUMO

Scalable and addressable integrated manipulation of qubits is crucial for practical quantum information applications. Different waveguides have been used to transport the optical and electrical driving pulses, which are usually required for qubit manipulation. However, the separated multifields may limit the compactness and efficiency of manipulation and introduce unwanted perturbation. Here, we develop a tapered fiber-nanowire-electrode hybrid structure to realize integrated optical and microwave manipulation of solid-state spins at nanoscale. Visible light and microwave driving pulses are simultaneously transported and concentrated along an Ag nanowire. Studied with spin defects in diamond, the results show that the different driving fields are aligned with high accuracy. The spatially selective spin manipulation is realized. And the frequency-scanning optically detected magnetic resonance (ODMR) of spin qubits is measured, illustrating the potential for portable quantum sensing. Our work provides a new scheme for developing compact, miniaturized quantum sensors and quantum information processing devices.

3.
Nano Lett ; 24(1): 458-465, 2024 Jan 10.
Artigo em Inglês | MEDLINE | ID: mdl-38148139

RESUMO

The subvalent silver kernel represents the nascent state of silver cluster formation, yet the growth mechanism has long been elusive. Herein, two silver nanoclusters (Ag30 and Ag34) coprotected by TC4A4- (H4TC4A = p-tert-butylthiacalix[4]arene) and TBPMT- (TBPMTH = 4-tert-butylbenzenemethanethiol) containing 6e and 4e silver kernels are synthesized and characterized. The trimer of the 2e superatom Ag14 kernel in Ag30 is built from a central Ag6 octahedron sandwiched by two orthogonally oriented Ag5 trigonal bipyramids through sharing vertexes, whereas a double-octahedral Ag10 kernel in Ag34 is a dimer of 2e superatoms. They manifest disparate polyhedron fusion growth patterns at the beginning of the silver cluster formation. Their excellent solution stabilities are contributed by the multisite and multidentate coordination fashion of TC4A4- and the special valence electron structures. This work demonstrates the precise control of silver kernel growth by the solvent strategy and lays a foundation for silver nanocluster application in photothermal conversion.

4.
Nano Lett ; 24(12): 3737-3743, 2024 Mar 27.
Artigo em Inglês | MEDLINE | ID: mdl-38498412

RESUMO

Employing a plasmonic decoupling mechanism, we report the design of a colorimetric pressure sensor that can respond to applied pressure with instant color changes. The sensor consists of a thin film of stacked uniform resorcinol-formaldehyde nanoshells with their inner surfaces functionalized with silver nanoparticles. Upon compression, the flexible polymer nanoshells expand laterally, inducing plasmonic decoupling between neighboring silver nanoparticles and a subsequent blue-shift. The initial color of the sensor is determined by the extent of plasmonic coupling, which can be controlled by tuning the interparticle distance through a seeded growth process. The sensing range can be conveniently customized by controlling the polymer shell thickness or incorporating hybrid nanoshells into various polymer matrices. The new colorimetric pressure sensors are easy to fabricate and highly versatile, allow for convenient tuning of the sensing range, and feature significant color shifts, holding great promise for a wide range of practical applications.

5.
Nano Lett ; 24(19): 5904-5912, 2024 May 15.
Artigo em Inglês | MEDLINE | ID: mdl-38700588

RESUMO

Stretchable electroluminescent devices represent an emerging optoelectronic technology for future wearables. However, their typical construction on sub-millimeter-thick elastomers has limited moisture permeability, leading to discomfort during long-term skin attachment. Although breathable textile displays may partially address this issue, they often have distinct visual appearances with discrete emissions from fibers or fiber junctions. This study introduces a convenient procedure to create stretchable, permeable displays with continuous luminous patterns. The design utilizes ultrathin nanocomposite devices embedded in a porous elastomeric microfoam to achieve high moisture permeability. These displays also exhibit excellent deformability, low-voltage operation, and excellent durability. Additionally, the device is decorated with fluorinated silica nanoparticles to achieve self-cleaning and washable capabilities. The practical implementation of these nanocomposite devices is demonstrated by creating an epidermal counter display that allows intimate integration with the human body. These developments provide an effective design of stretchable and breathable displays for comfortable wearing.

6.
Nano Lett ; 24(4): 1309-1315, 2024 Jan 31.
Artigo em Inglês | MEDLINE | ID: mdl-38258741

RESUMO

Electrically percolating nanowire networks are among the most promising candidates for next-generation transparent electrodes. Scientific interest in these materials stems from their intrinsic current distribution heterogeneity, leading to phenomena like percolating pathway rerouting and localized self-heating, which can cause irreversible damage. Without an experimental technique to resolve the current distribution and an underpinning nonlinear percolation model, one relies on empirical rules and safety factors to engineer materials. We introduce Bose-Einstein condensate microscopy to address the longstanding problem of imaging active current flow in 2D materials. We report on performance improvement of this technique whereby observation of dynamic redistribution of current pathways becomes feasible. We show how this, combined with existing thermal imaging methods, eliminates the need for assumptions between electrical and thermal properties. This will enable testing and modeling individual junction behavior and hot-spot formation. Investigating both reversible and irreversible mechanisms will contribute to improved performance and reliability of devices.

7.
Nano Lett ; 24(10): 3021-3027, 2024 Mar 13.
Artigo em Inglês | MEDLINE | ID: mdl-38252876

RESUMO

The effects on the lattice structure and electronic properties of different polymorphs of silver halide, AgX (X = Cl, Br, and I), induced by laser irradiation (LI) and electron irradiation (EI) are investigated using a first-principles approach, based on the electronic temperature (Te) within a two-temperature model (TTM) and by increasing the total number of electrons (Ne), respectively. Ab initio molecular dynamics (AIMD) simulations provide a clear visualization of how Te and Ne induce a structural and electronic transformation process during LI/EI. Our results reveal the diffusion processes of Ag and X ions, the amorphization of the AgX lattices, and a straightforward interpretation of the time evolution for the formation of Ag and X nanoclusters under high values of Te and Ne. Overall, the present work provides fine details of the underlying mechanism of LI/EI and promises to be a powerful toolbox for further cross-scale modeling of other semiconductors.

8.
BMC Bioinformatics ; 25(1): 66, 2024 Feb 12.
Artigo em Inglês | MEDLINE | ID: mdl-38347515

RESUMO

BACKGROUND: DNA methylation is one of the most stable and well-characterized epigenetic alterations in humans. Accordingly, it has already found clinical utility as a molecular biomarker in a variety of disease contexts. Existing methods for clinical diagnosis of methylation-related disorders focus on outlier detection in a small number of CpG sites using standardized cutoffs which differentiate healthy from abnormal methylation levels. The standardized cutoff values used in these methods do not take into account methylation patterns which are known to differ between the sexes and with age. RESULTS: Here we profile genome-wide DNA methylation from blood samples drawn from within a cohort composed of healthy controls of different age and sex alongside patients with Prader-Willi syndrome (PWS), Beckwith-Wiedemann syndrome, Fragile-X syndrome, Angelman syndrome, and Silver-Russell syndrome. We propose a Generalized Additive Model to perform age and sex adjusted outlier analysis of around 700,000 CpG sites throughout the human genome. Utilizing z-scores among the cohort for each site, we deployed an ensemble based machine learning pipeline and achieved a combined prediction accuracy of 0.96 (Binomial 95% Confidence Interval 0.868[Formula: see text]0.995). CONCLUSION: We demonstrate a method for age and sex adjusted outlier detection of differentially methylated loci based on a large cohort of healthy individuals. We present a custom machine learning pipeline utilizing this outlier analysis to classify samples for potential methylation associated congenital disorders. These methods are able to achieve high accuracy when used with machine learning methods to classify abnormal methylation patterns.


Assuntos
Síndrome de Beckwith-Wiedemann , Síndrome de Silver-Russell , Humanos , Impressão Genômica , Metilação de DNA , Síndrome de Beckwith-Wiedemann/diagnóstico , Síndrome de Beckwith-Wiedemann/genética , Síndrome de Silver-Russell/diagnóstico , Síndrome de Silver-Russell/genética , Aprendizado de Máquina Supervisionado
9.
J Biol Chem ; 299(11): 105331, 2023 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-37820867

RESUMO

The periplasmic chaperone SilF has been identified as part of an Ag(I) detoxification system in Gram-negative bacteria. Sil proteins also bind Cu(I) but with reported weaker affinity, therefore leading to the designation of a specific detoxification system for Ag(I). Using isothermal titration calorimetry, we show that binding of both ions is not only tighter than previously thought but of very similar affinities. We investigated the structural origins of ion binding using molecular dynamics and QM/MM simulations underpinned by structural and biophysical experiments. The results of this analysis showed that the binding site adapts to accommodate either ion, with key interactions with the solvent in the case of Cu(I). The implications of this are that Gram-negative bacteria do not appear to have evolved a specific Ag(I) efflux system but take advantage of the existing Cu(I) detoxification system. Therefore, there are consequences for how we define a particular metal resistance mechanism and understand its evolution in the environment.


Assuntos
Cobre , Escherichia coli , Sítios de Ligação , Cobre/metabolismo , Escherichia coli/metabolismo , Íons/metabolismo , Chaperonas Moleculares/genética , Chaperonas Moleculares/metabolismo , Prata/metabolismo , Proteínas de Escherichia coli/genética , Proteínas de Escherichia coli/metabolismo
10.
Am Nat ; 204(1): 73-95, 2024 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-38857346

RESUMO

AbstractDevelopmental plasticity allows organisms to increase the fit between their phenotype and their early-life environment. The extent to which such plasticity also enhances adult fitness is not well understood, however, particularly when early-life and adult environments differ substantially. Using a cross-factorial design that manipulated diet at two life stages, we examined predictions of major hypotheses-silver spoon, environmental matching, and thrifty phenotype-concerning the joint impacts of early-life and adult diets on adult morphology/display traits, survival, and reproductive allocation. Overall, results aligned with the silver spoon hypothesis, which makes several predictions based on the premise that development in poor-quality environments constrains adult performance. Males reared and bred on a low-protein diet had lower adult survivorship than other male treatment groups; females' survivorship was higher than males' and not impacted by early diet. Measures of allocation to reproduction primarily reflected breeding diet, but where natal diet impacted reproduction, results supported the silver spoon. Both sexes showed reduced expression of display traits when reared on a low-protein diet. Results accord with other studies in supporting the relevance of the silver spoon hypothesis to birds and point to significant ramifications of sex differences in early-life viability selection on the applicability/strength of silver spoon effects.


Assuntos
Tentilhões , Reprodução , Animais , Masculino , Feminino , Tentilhões/fisiologia , Longevidade , Dieta/veterinária , Fenótipo , Dieta com Restrição de Proteínas
11.
BMC Biotechnol ; 24(1): 8, 2024 02 06.
Artigo em Inglês | MEDLINE | ID: mdl-38321442

RESUMO

Silver nanoparticles (Ag-NPs) have a unique mode of action as antibacterial agents in addition to their anticancer and antioxidant properties. In this study, microbial nanotechnology is employed to synthesize Ag-NPs using the cell filtrate of Streptomyces enissocaesilis BS1. The synthesized Ag-NPs are confirmed by ultraviolet-visible (UV-Vis), Fourier transform infrared (FT-IR), X-ray diffraction (XRD), energy dispersive X-ray spectroscopy (EDX), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). Also, the effects of different factors on Ag-NPs synthesis were evaluated to set the optimum synthesis conditions. Also, the antibacterial, antibiofilm, and anticancer activity of Ag-NPs was assessed. The X-ray diffraction (XRD) analysis confirmed the crystalline nature of the sample and validated that the crystal structure under consideration is a face-centered cubic (FCC) pattern. The TEM examination displayed the spherical particles of the Ag-NPs and their average size, which is 32.2 nm. Fourier transform infrared spectroscopy (FTIR) revealed significant changes in functionality after silver nanoparticle dispersion, which could be attributed to the potency of the cell filtrate of Streptomyces enissocaesilis BS1 to act as both a reducing agent and a capping agent. The bioactivity tests showed that our synthesized Ag-NPs exhibited remarkable antibacterial activity against different pathogenic strains. Also, when the preformed biofilms of Pseudomonas aeruginosa ATCC 9027, Salmonella typhi ATCC 12023, Escherichia coli ATCC 8739, and Staphylococcus aureus ATCC 6598 were exposed to Ag NPs 50 mg/ml for 24 hours, the biofilm biomass was reduced by 10.7, 34.6, 34.75, and 39.08%, respectively. Furthermore, the Ag-NPs showed in vitro cancer-specific sensitivity against human breast cancer MCF-7 cell lines and colon cancer cell line Caco-2, and the IC50 was 0.160 mg/mL and 0.156 mg/mL, respectively. The results of this study prove the ease and efficiency of the synthesis of Ag-NPs using actinomycetes and demonstrate the significant potential of these Ag-NPs as anticancer and antibacterial agents.


Assuntos
Nanopartículas Metálicas , Prata , Streptomyces , Humanos , Prata/química , Nanopartículas Metálicas/química , Espectroscopia de Infravermelho com Transformada de Fourier , Células CACO-2 , Antibacterianos/farmacologia , Escherichia coli , Extratos Vegetais/farmacologia , Biofilmes , Testes de Sensibilidade Microbiana
12.
BMC Plant Biol ; 24(1): 597, 2024 Jun 25.
Artigo em Inglês | MEDLINE | ID: mdl-38914943

RESUMO

Bacterial canker disease caused by Clavibacter michiganensis is a substantial threat to the cultivation of tomatoes, leading to considerable economic losses and global food insecurity. Infection is characterized by white raised lesions on leaves, stem, and fruits with yellow to tan patches between veins, and marginal necrosis. Several agrochemical substances have been reported in previous studies to manage this disease but these were not ecofriendly. Thus present study was designed to control the bacterial canker disease in tomato using green fabricated silver nanoparticles (AgNps). Nanosilver particles (AgNPs) were synthesized utilizing Moringa oleifera leaf extract as a reducing and stabilizing agent. Synthesized AgNPs were characterized using UV-visible spectroscopy, scanning electron microscopy (SEM), X-ray diffraction (XRD), energy-dispersive X-ray (EDX), and Fourier transform infrared spectrometry (FTIR). FTIR showed presence of bioactive compounds in green fabricated AgNPs and UV-visible spectroscopy confirmed the surface plasmon resonance (SPR) band in the range of 350 nm to 355 nm. SEM showed the rectangular segments fused together, and XRD confirmed the crystalline nature of the synthesized AgNPs. The presence of metallic silver ions was confirmed by an EDX detector. Different concentrations (10, 20, 30, and 40 ppm) of the green fabricated AgNPs were exogenously applied on tomato before applying an inoculum of Clavibacter michigensis to record the bacterial canker disease incidence at different day intervals. The optimal concentration of AgNPs was found to be 30 µg/mg that exhibited the most favorable impact on morphological (shoot length, root length, plant fresh and dry weights, root fresh and dry weights) and physiological parameters (chlorophyll contents, membrane stability index, and relative water content) as well as biochemical parameters (proline, total soluble sugar and catalase activity). These findings indicated a noteworthy reduction in biotic stress through the increase of both enzymatic and non-enzymatic activities by the green fabricated AgNPs. This study marks a first biocompatible approach in assessing the potential of green fabricated AgNPs in enhancing the well-being of tomato plants that affected with bacterial canker and establishing an effective management strategy against Clavibacter michiganensis. This is the first study suggests that low concentration of green fabricated nanosilvers (AgNPs) from leaf extract of Moringa oleifera against Clavibacter michiganensis is a promisingly efficient and eco-friendly alternative approach for management of bacterial canker disease in tomato crop.


Assuntos
Nanopartículas Metálicas , Doenças das Plantas , Prata , Solanum lycopersicum , Solanum lycopersicum/microbiologia , Prata/farmacologia , Nanopartículas Metálicas/química , Doenças das Plantas/microbiologia , Clavibacter , Moringa oleifera/química , Extratos Vegetais/química , Extratos Vegetais/farmacologia , Química Verde , Folhas de Planta/microbiologia
13.
BMC Plant Biol ; 24(1): 695, 2024 Jul 23.
Artigo em Inglês | MEDLINE | ID: mdl-39044125

RESUMO

The bacterial blight of wheat is an important global disease causing a significant decline in crop yield. Nanotechnology offers a potential solution for managing plant diseases. Therefore, this research aimed to investigate the effectiveness of silver nanoparticles (AgNPs) in controlling bacterial blight in 27 locally grown wheat cultivars. The study examined the impact of AgNPs at three distinct time points: 1, 3, and 5 days after the onset of the disease. Biochemical assay revealed that one day after applying the disease stress, the Inia cultivar had the highest amount of soluble protein (55.60 µg.g-1FW) content in the treatment without AgNPs. The Azadi cultivar, without AgNPs treatment, had the lowest amount of soluble protein content (15.71 µg.g-1FW). The Tabasi cultivar had the highest activity of the superoxide dismutase (SOD) (61.62 mM.g-1FW) with the combination treatment of AgNPs. On the other hand, the Karchia cultivar had the lowest SOD activity (0.6 mM.g-1FW) in the treatment of disease without AgNPs. Furthermore, three days after the application of stress, the Mahdavi cultivar had the highest amount of soluble protein content (54.16 µg.g-1FW) in the treatment of disease without AgNPs. The Niknejad cultivar had the highest activity of the SOD (74.15 mM.g-1FW) with the combined treatment of the disease without AgNPs. The Kavir cultivar had the lowest SOD activity (1.95 mM.g-1FW) and the lowest peroxidase (POX) activity (0.241 mM g-1FW min-1) in the treatment of the disease with AgNPs. Five days after exposure to stress, the Mahooti cultivar had the highest SOD activity (88.12 mM.g-1FW) with the combined treatment of the disease with AgNPs, and the Karchia cultivar had the lowest SOD activity (2.39 mM.g-1FW) in the treatment of the disease with AgNPs. Further, the results indicated that exposure to AgNPs could improve the antioxidant properties of wheat seeds in blight-infected and disease-free conditions in some cultivars.


Assuntos
Nanopartículas Metálicas , Doenças das Plantas , Prata , Triticum , Triticum/microbiologia , Triticum/efeitos dos fármacos , Prata/farmacologia , Doenças das Plantas/microbiologia , Superóxido Dismutase/metabolismo , Proteínas de Plantas/metabolismo
14.
BMC Plant Biol ; 24(1): 92, 2024 Feb 06.
Artigo em Inglês | MEDLINE | ID: mdl-38321391

RESUMO

BACKGROUND: The biochemical and growth changes resulting from exposure of basil (Ocimum basilicum L.) seedlings to silver nanoparticles and silver were investigated. Over a two-week period, seedlings were exposed to different concentrations (0, 40, and 80 ppm) of silver nanoparticles and silver. RESULTS: Our findings revealed that at concentrations of 40 and 80 ppm, both silver nanoparticles and silver nitrate led to decreased weight, root and shoot length, as well as chlorophyll a and b content. Conversely, these treatments triggered an increase in key biochemical properties, such as total phenols, carotenoids and anthocyanins, with silver nanoparticles showing a more pronounced effect compared to silver nitrate. Moreover, the levels of malondialdehyde (MDA) and hydrogen peroxide (H2O2) rose proportionally with treatment concentration, with the nanoparticle treatment exhibiting a more substantial increase. Silver content showed a significant upswing in both roots and leaves as treatment concentrations increased. CONCLUSIONS: Application of varying concentrations of silver nanoparticles and silver nitrate on basil plants resulted in reduced growth and lower chlorophyll content, while simultaneously boosting the production of antioxidant compounds. Notably, anthocyanin, carotenoid, and total phenol increased significantly. However, despite this increase in antioxidant activity, the plant remained unable to fully mitigate the oxidative stress induced by silver and silver nanoparticles.


Assuntos
Nanopartículas Metálicas , Ocimum basilicum , Clorofila A , Nitrato de Prata/farmacologia , Antocianinas , Peróxido de Hidrogênio/farmacologia , Prata , Antioxidantes/farmacologia , Carotenoides , Folhas de Planta
15.
BMC Plant Biol ; 24(1): 302, 2024 Apr 19.
Artigo em Inglês | MEDLINE | ID: mdl-38637784

RESUMO

BACKGROUND: Early blight (EB) of Tomatoes, caused by Alternaria solani, is a serious fungal disease that adversely affects tomato production. Infection is characterized by dark lesions on leaves, stems, and fruits. Several agrochemicals can be used to control infection, these chemicals may disrupt environmental equilibrium. An alternative technology is needed to address this significant fungal threat. This study was designed to control the growth of EB in tomatoes caused by A. solani, using green-fabricated silver nanoparticles (Ag-NPs). RESULTS: Ag-NPs were synthesized through an environmentally friendly and cost-effective approach using leaf extract of Quercus incana Roxb. (Fagaceae). The physico-chemical characterization of the Ag-NPs was conducted through UV-visible spectroscopy, scanning electron microscopy, X-ray diffraction analysis, and Fourier transform infrared spectrometry. The Ag-NPs produced were round with a mean diameter of 27 nm. The antifungal activity of these Ag-NPs was assessed through in vitro Petri plate and in vitro leaflet assays against A. solani. The green fabricated Ag-NPs exhibited excellent antifungal activity in vitro at a concentration of 100 mg/l against A. solani, inhibiting growth by 98.27 ± 1.58% and 92.79 ± 1.33% during Petri plate and leaflet assays, respectively. CONCLUSION: In conclusion, this study suggests the practical application of green-fabricated Ag-NPs from Q. incana leaf extract against A. solani to effectively control EB disease in tomatoes.


Assuntos
Alternaria , Nanopartículas Metálicas , Quercus , Solanum lycopersicum , Prata/química , Nanopartículas Metálicas/química , Antifúngicos , Espectroscopia de Infravermelho com Transformada de Fourier , Extratos Vegetais/farmacologia , Extratos Vegetais/química , Difração de Raios X , Antibacterianos
16.
J Comput Chem ; 45(17): 1434-1443, 2024 Jun 30.
Artigo em Inglês | MEDLINE | ID: mdl-38459681

RESUMO

In this article, density functional theory computations at the PBE0-D3/def2-TZVP level are reported to unveil the type of bonding between ß-D-glucopyranose-silver ion (1:1) complex ([Ag(C6H12O6)]+) and seven gas molecules, namely, H2, C2H2, C2H4, CO, N2, NO and O2. Moreover, the relative preference of trapping among these molecules within the sight of Ag metal ion in the complex is explored. The nature of interaction of these small molecules with the [Ag(C6H12O6)]+ ion is studied. Exergonic nature of binding is noted with the metal center for all the chosen small molecules except O2. Thermochemical data reveals the binding preference of C2H4 > C2H2 > CO > NO > N2 > H2. Natural bond orbital analysis, contour plot of the Laplacian of electron density, electron density descriptors, and gradient isosurface help in understanding the nature of interactions. Maximum bond formation is noted between the Ag-complex and CO molecule. Assessed energy decomposition analysis discloses the nature of interaction as mainly orbital between the bound small gas molecules and the Ag-complex. Frontier molecular orbital pictures further help in understanding the type of interaction as orbital. To disclose the kinetic stability of the gas molecule bound Ag complexes an ab initio molecular dynamics study is done at different temperatures up to 2 ps. These studies help in understanding the type of adsorption. Calculated conceptual density functional theory (CDFT) based reactivity descriptors corroborate well with results. ß-D-glucopyranose-silver ion (1:1) complex may be used as small gas molecule scavenger.

17.
Small ; : e2400306, 2024 Jun 27.
Artigo em Inglês | MEDLINE | ID: mdl-38934325

RESUMO

This paper describes how macroscopic stirring of a reaction mixture can be used to produce nanostructures exhibiting properties not readily achievable via other protocols. In particular, it is shown that by simply adjusting the stirring rate, a standard glutathione-based method-to date, used to produce only marginally stable fluorescent silver nanoclusters, Ag NCs-can be boosted to yield nanoclusters retaining fluorescence for unprecedented periods of over 2 years. This enhancement derives not simply from increased homogenization of the reaction mixture but mainly from an appropriately timed delivery of oxygen from above the reaction mixture. In effect, oxygen serves as a reagent that dictates size, structure, stability, and functional properties of the growing nanoobjects.

18.
Small ; 20(29): e2309863, 2024 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-38368256

RESUMO

Research on flexible thermoelectric (TE) materials has typically focused on conducting polymers and conducting polymer-based composites. However, achieving TE properties comparable in magnitude to those exhibited by their inorganic counterparts remains a formidable challenge. This study focuses on the synthesis of silver selenide (Ag2Se) nanomaterials using solvothermal methods and demonstrates a significant enhancement in their TE properties through the synergistic dual doping of sulfur and copper. Flexible TE thin films demonstrating excellent flexibility are successfully fabricated using vacuum filtration and hot-pressing techniques. The resulting thin films also exhibited outstanding TE performance, with a high Seebeck coefficient (S = -138.5 µV K-1) and electrical conductivity (σ = 1.19 × 105 S m-1). The record power factor of 2296.8 µW m-1 K-2 at room temperature is primarily attributed to enhanced carrier transport and interfacial energy filtration effects in the composite material. Capitalizing on these excellent TE properties, the maximum power output of flexible TE devices reached 1.13 µW with a temperature difference of 28.6 K. This study demonstrates the potential of Ag2Se-based TE materials for flexible and efficient energy-harvesting applications.

19.
Small ; 20(13): e2306793, 2024 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-37967352

RESUMO

MicroRNAs (miRNAs) are small RNA molecules, typically 21‒22 nucleotides in size, which play a crucial role in regulating gene expression in most eukaryotes. Their significance in various biological processes and disease pathogenesis has led to considerable interest in their potential as biomarkers for diagnosis and therapeutic applications. In this study, a novel method for sensing target miRNAs using Tailed-Hoogsteen triplex DNA-encapsulated Silver Nanoclusters (DNA/AgNCs) is introduced. Upon hybridization of a miRNA with the tail, the Tailed-Hoogsteen triplex DNA/AgNCs exhibit a pronounced red fluorescence, effectively turning on the signal. It is successfully demonstrated that this miRNA sensor not only recognized target miRNAs in total RNA extracted from cells but also visualized target miRNAs when introduced into live cells, highlighting the advantages of the turn-on mechanism. Furthermore, through gel-fluorescence assays and small-angle X-ray scattering (SAXS) analysis, the turn-on mechanism is elucidated, revealing that the Tailed-Hoogsteen triplex DNA/AgNCs undergo a structural transition from a monomer to a dimer upon sensing the target miRNA. Overall, the findings suggest that Tailed-Hoogsteen triplex DNA/AgNCs hold great promise as practical sensors for small RNAs in both in vitro and cell imaging applications.


Assuntos
Nanopartículas Metálicas , MicroRNAs , MicroRNAs/genética , MicroRNAs/análise , Prata/química , Espalhamento a Baixo Ângulo , Difração de Raios X , DNA/química , Espectrometria de Fluorescência/métodos , Nanopartículas Metálicas/química
20.
Small ; 20(8): e2307220, 2024 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-37828643

RESUMO

Systematic management of infected wounds requires simultaneous antiinfection and wound healing, which has become the current treatment dilemma. Recently, a multifunctional silver nanoclusters (AgNCs)-based hydrogel dressing to meet these demands is developed. Here a diblock DNA with a cytosine-rich fragment (as AgNCs template) and a guanine-rich fragment (to form G-quadruplex/hemin DNAzyme, termed G4/hemin) is designed, for G4/hemin functionalization of AgNCs. Inside bacteria, G4/hemin can not only accelerate the oxidative release of Ag+ from AgNCs but also generate reactive oxygen species (ROS) via catalase- and peroxidase-mimic activities, which enhance the antibacterial effect. On the other hand, the AgNCs exhibit robust anti-inflammatory and antioxidative activities to switch M1 macrophages into M2 phenotype, which promotes wound healing. Moreover, the hemin is released to upregulate the heme oxygenase-1, an intracellular enzyme that can relieve oxidative stress, which significantly alleviates the cytotoxicity of silver. As a result, such silver-based dressing achieves potent therapeutic efficacy on infected wounds with excellent biosafety.


Assuntos
DNA Catalítico , Nanopartículas Metálicas , Prata , Hemina , DNA , Antibacterianos/farmacologia , Antibacterianos/uso terapêutico , Hidrogéis
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