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Lobeline (LOB), a naturally occurring alkaloid, has a broad spectrum of pharmacological activities and therapeutic potential, including applications in central nervous system disorders, drug misuse, multidrug resistance, smoking cessation, depression, and epilepsy. LOB represents a promising compound for developing treatments in various medical fields. However, despite extensive pharmacological profiling, the biophysical interaction between the LOB and proteins remains largely unexplored. In the current article, a range of complementary photophysical and cheminformatics methodologies were applied to study the interaction mechanism between LOB and the carrier protein HSA. Steady-state fluorescence and fluorescence lifetime experiments confirmed the static-quenching mechanisms in the HSA-LOB system. "K" (binding constant) of the HSA-LOB system was determined to be 105 M-1, with a single preferable binding site in HSA. The forces governing the HSA-LOB stable complex were analyzed by thermodynamic parameters and electrostatic contribution. The research also investigated how various metal ions affect complex binding. Site-specific binding studies depict Site I as probable binding in HSA by LOB. We conducted synchronous fluorescence, 3D fluorescence, and circular dichroism studies to explore the structural alteration occurring in the microenvironment of amino acids. To understand the robustness of the HSA-LOB complex, we used theoretical approaches, including molecular docking and MD simulations, and analyzed the principal component analysis and free energy landscape. These comprehensive studies of the structural features of biomolecules in ligand binding are of paramount importance for designing targeted drugs and delivery systems.
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Dicroismo Circular , Interacciones Hidrofóbicas e Hidrofílicas , Lobelina , Unión Proteica , Albúmina Sérica Humana , Termodinámica , Humanos , Albúmina Sérica Humana/química , Albúmina Sérica Humana/metabolismo , Lobelina/química , Lobelina/metabolismo , Sitios de Unión , Dicroismo Circular/métodos , Conformación Proteica , Espectrometría de Fluorescencia , Simulación del Acoplamiento Molecular , Simulación de Dinámica Molecular , Fármacos Neuroprotectores/farmacología , Fármacos Neuroprotectores/químicaRESUMEN
High concentrations of low-density particles may cause effects in acute inhalation toxicity studies which can be easily underestimated or misinterpreted following strictly the OECD TG 436, i.e., limited parameters as mortality and gross lesions will be evaluated only. Seven particle types (synthetic amorphous silica (SAS) HMDZ-SAS, silica gel, pyrogenic SAS, and precipitated SAS, calcium carbonate, aluminum oxide pyrogenic alumina, organic red pigment) were chosen at the highest technically feasible concentration of approximately 500â¯mg/m3 for acute inhalation studies with an expanded endpoint setup. Therefore additional parameters and a thorough histopathological evaluation of an extensive set of organs, including the respiratory tract emphasizing the nasal cavities were added. Six Crl:WI rats per study were exposed for four hours from which three animals were sacrificed after 24â¯hours and three animals after 14 days. HMDZ-SAS caused early death in all animals due to blockage of the nasal passages caused by its hydrophobicity. For all other Si-containing compounds, histology revealed minor inflammatory and reactive lesions in lungs after 24â¯hours that were still present after 14 days, except in silica gel-treated animals. After 14 days, for pyrogenic SAS, precipitated SAS, and pyrogenic alumina, granulomas formed in the BALT and lung-associated lymph nodes. In contrast, the calcium carbonate induced almost no findings, and the red pigment (also tested for the additional dose of 1000â¯mg/m3) stuck partially to the nasal mucosa without causing pathological damage and partly entered the lungs without showing any adverse effects. The results of the present study highlight the advantage of improving the rather simple study design of acute inhalation studies by implementing an extended study design.
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Chromatographers often employ fully aqueous mobile phases to retain highly polar compounds in reversed-phase liquid chromatography (RPLC). However, when the flow rate is interrupted, either accidentally or intentionally, a substantial loss in retention occurs due to the spontaneous dewetting of water from the hydrophobic surface of conventional RPLC-C18 particles. Previous studies have shown that maintaining a low C18 surface coverage (approximately 1.5 µmol/m2) can mitigate water dewetting by increasing chain disorder, facilitating the intercalation of water clusters between the C18-bonded chains, and keeping the mesopores wetted. In this research, we explore the potential and additional benefits of using two-component surface bonding materials (C8/C18 and PhenylHexyl (PhHx)/C18) at a constant and low total surface coverage of 1.51 ± 0.15 µmol/m2. We synthesized seven one- and two-component modified silica particles with a volume average particle size of 5.22 µm and an average mesopore size of 104 Å. The surface coverage was increased from 0 to 0.54, 1.00, and to 1.66 µmol2 for C8 chains and from 0 to 0.52, 0.70, and to 1.65 µmol2 for PhHx ligands. To prevent interactions between water and any unreacted silanols, all seven derivatized particles were heavily endcapped with trimethylsilane (TMS) reagent. The fraction of the surface area remaining in contact with water was determined by measuring the retention times of weakly (thiourea) and strongly (thymine) retained compounds at intervals of 1, 2, 4, 8, 16, 32, and 64 minutes following the cessation of flow. Two distinct column temperatures, 24°C and 60°C, were employed in the experiments. Retention losses were found to be minimized in the presence of a small quantity of C8 chains (less than 40% of the total surface coverage). Additionally, it is essential to consider substantial fractions of PhHx chains, as long as the presence of the PhHx ligand does not significantly impact retention and selectivity. Combining mixed RPLC bondings with a low total surface coverage of approximately 1.5 µmol/m2 emerges as a viable solution for further minimizing retention loss in standard C18-bonded RPLC columns, particularly within the surface coverage range of 2.5-3.0 µmol/m2.
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Cromatografía de Fase Inversa , Dióxido de Silicio , Cromatografía de Fase Inversa/métodos , Dióxido de Silicio/química , Cromatografía Liquida , Agua/química , Interacciones Hidrofóbicas e HidrofílicasRESUMEN
Indwelling medical catheters are frequently utilized in medical procedures, but they are highly susceptible to infection, posing a vital challenge for both health workers and patients. In this study, the superhydrophobic micro-nanostructure surface was constructed on the surface of thermoplastic polyurethane (TPU) membrane using heavy calcium carbonate (CaCO3) template. To decrease the surface free energy, hydroxyl silicone oil was grafted onto the surface, forming a super-hydrophobic surface. The water contact angle (WCA) increased from 91.1° to 143 ± 3° when the concentration of heavy calcium CaCO3 was 20% (weight-to-volume (w/v)). However, the increased WCA was unstable and tended to decrease over time. After grafting hydroxyl silicone oil, the WCA rose to 152.05 ± 1.62° and remained consistently high for a period of 30 min. Attenuated total reflection infrared spectroscopy (ATR-FTIR) analysis revealed a chemical crosslinking between silicone oil and the surface of TPU. Furthermore, Scanning electron microscope (SEM) image showed the presence of numerous nanoparticles on the micro surface. Atomic force microscope (AFM) testing indicated a significant improvement in surface roughness. This method of creating a hydrophobic surface demonstrated several advantages, including resistance to cell, bacterial, protein, and platelet adhesion and good biosecurity. Therefore, it holds promising potential for application in the development of TPU-based medical catheters with antibacterial properties.
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Interacciones Hidrofóbicas e Hidrofílicas , Poliuretanos , Aceites de Silicona , Propiedades de Superficie , Poliuretanos/química , Aceites de Silicona/química , Carbonato de Calcio/química , Animales , Materiales Biocompatibles/química , Materiales Biocompatibles/farmacología , Ratones , Agua/química , Temperatura , Staphylococcus aureus/efectos de los fármacos , Ensayo de MaterialesRESUMEN
Hydrophobic surfaces have a wide range of applications, such as water harvesting, self-cleaning, and anti-biofouling. However, traditional methods of achieving hydrophobicity often involve the use of toxic materials such as fluoropolymers. This study aims to create controllable wettability surfaces with a three-dimensional geometry using a laser base powder bed fusion (PBF) process with commercially pure titanium (CP-Ti) and silicone oil as non-toxic materials. The optimal PBF process parameters for fabricating micropillar structures, which are critical for obtaining the surface roughness necessary for achieving hydrophobic properties, were investigated experimentally. After fabricating the micropillar structures using PBF, their surface energy was reduced by treatment with silicone oil. Silicone oil provides a low-surface-energy coating that contributes to the water-repellent nature of hydrophobic surfaces. The wettability of the treated CP-Ti surfaces was evaluated based on the diameter of the pillars and the space between them. The structure with the optimal diameter and spacing of micropillars exhibited a high contact angle (156.15°). A pronounced petal effect (sliding angle of 25.9°) was achieved because of the morphology of the pillars, indicating the controllability of wetting. The micropillar diameter, spacing, and silicone oil played crucial roles in determining the water contact and sliding angle, which are key metrics for surface wettability.
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HYPOTHESIS: The solid fraction of the substrate is expected to influence the bouncing behavior of an impinging droplet, thereby affecting spreading and contact time. Hence, it should be possible to alter the velocity and pressure distribution of impacting droplet, and also affect the impact velocity for droplet penetration right upon impact. SIMULATIONS: We systematically investigate the impact dynamics of water droplets on pillared hydrophobic surfaces with different solid fractions using phase-field simulations. The velocity and pressure distributions of impacting droplets on pillared hydrophobic surfaces with varied Weber numbers and solid fractions are studied. In addition, the influences of the solid fraction on the bouncing behaviors of the impinging droplet, such as the maximum wetting spreading, the maximum impacting depth, and the contact time, are also investigated to further understand the impact event. FINDINGS: We show that a three-peak pressure profile appears on the top of the pillared hydrophobic surface during droplet impact by varying the solid fraction of the surface. The first peak is generated by the impact of the droplet itself, while the second peak arises from the droplet recoil impact associated with the dynamic properties of the jet. Moreover, we identify a hitherto unknown third pressure peak related to the hydrodynamic singularity that emerges due to the convergence of the fluid during the droplet rebound. This solid fraction-dependent impacting behavior reveals the intricate interplay between droplet dynamics and the underlying surface characteristics, providing valuable insights into the design and optimization of micro/nano structured hydrophobic surfaces for various applications.
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The processes of interaction of liquid droplets with solid surfaces have become of interest to many researchers. The achievements of world science should be used for the development of technologies for spray cooling, metal hardening, inkjet printing, anti-icing surfaces, fire extinguishing, fuel spraying, etc. Collisions of drops with surfaces significantly affect the conditions and characteristics of heat transfer. One of the main areas of research into the interaction of drops with solid surfaces is the modification of the latter. Changes in the hydrophilic and hydrophobic properties of surfaces give the materials various functional properties-increased heat transfer, resistance to corrosion and biofouling, anti-icing, etc. This review paper describes methods for obtaining hydrophilic and hydrophobic surfaces. The features of the interaction of liquid droplets with such surfaces are considered. The existing and possible applications of modified surfaces are discussed, as well as topical areas of research.
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Ultrahigh quality factor (Q) microcavities have been emerging as appealing compact photonic platforms for various applications. The Q factor plays a critical role in determining the nonlinear optical performance of a microcavity. However, a silica microcavity suffers from severe degradation of its Q value over time during storage or use in air due to the accumulating surface absorption loss, which would deteriorate their nonlinear photonic performance. Here, we report a new type of ultrahigh Q silica microcavity that effectively prevents Q degradation over time. The Q values of the devices remain unchanged over time under storage in air. Optical frequency combs are generated with sustainable ultralow threshold performance over the course of time from the devices in open air. This approach would greatly facilitate ultrahigh Q silica-based photonic devices for next generation photonic applications.
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By using molecular dynamics simulation, we investigate the wettability of a surface texturized with a periodic array of hierarchical pillars. By varying the height and spacing of the minor pillars on top of major pillars, we investigate the wetting transition from the Cassie-Baxter (CB) to Wenzel (WZ) states. We uncover the molecular structures and free energies of the transition and meta-stable states existing between the CB and WZ states. The relatively tall and dense minor pillars greatly enhance the hydrophobicity of a pillared surface, in that, the CB-to-WZ transition requires an increased activation energy and the contact angle of a water droplet on such a surface is significantly larger.
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Humectabilidad , Propiedades de Superficie , Interacciones Hidrofóbicas e Hidrofílicas , Simulación por ComputadorRESUMEN
The accurate, sensitive and portable detection of morphine is important to handle judicial cases, but remains to be a great challenge. In this work, a flexible route is presented for the accurate identification and efficient detection of trace morphine in solutions based on surface-enhanced Raman spectroscopy (SERS) and a solid substrate/chip. A gold-coated jagged silicon nanoarray (Au-JSiNA) is designed and prepared via Si-based polystyrene colloidal template-reactive ion etching and sputtering deposition of Au. Such Au-JSiNA has three-dimensional nanostructure with good structural uniformity, high SERS activity and hydrophobic surface. Adopting this Au-JSiNA as SERS chip, trace morphine in solutions could be detected and identified in both dropping and soaking ways, and the limit of detection is below 10-4 mg/mL. Importantly, such chip is especially suitable for the detection of trace morphine in aqueous solutions and even domestic sewage. The good SERS performance is attributed to the high-density nanotips and nanogaps on this chip as well as its hydrophobic surface. Additionally, the appropriate surface modification of this Au-JSiNA chip with 3-mercapto-1-propanol or 3-mercaptopropionic acid/1-(3-dimethylaminopropyl)-3-ethylcarbodiimide can further increase its SERS performances to morphine. This work provides a facile route and practical solid chip for SERS detection of trace morphine in solutions, which is significant to develop the portable and reliable instruments for on-site analysis of drugs in solutions.
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Spraying is a common way to coat solutions onto surfaces evenly. Improving spraying effectiveness can avoid wasting solutions and reduce pollution. In this study, a trace amount of natural polysaccharide, konjac glucomannan (KGM), was added into solutions to regulate the spraying performances including the breakup of liquid jets, size of produced droplets, and collision and spreading of droplets on both superhydrophobic and hydrophilic surfaces. The shear viscosity, extensive viscosity, and surface tension of the KGM solutions were tested. The results of spraying experiments showed that adding KGM inhibited the liquid jet from breaking into small droplets, avoided the breakage of droplets on superhydrophobic surfaces, and promoted the spreading of liquid films on hydrophilic surfaces. The numerical simulation showed the stretching of single macromolecules and quantified the energy stored in molecular chains in a shear-dominated flow field during the spreading of droplets on surfaces and an elongational-dominated flow field during the breakage of a liquid bridge. The storage and dissipation of energy during the stretching and relaxing of KMG macromolecules were important origins of the increase in the colloid viscosity and molecular mechanisms of the effect of the KGM additive on spraying performances. This study provided an understanding and a strategy for optimization and application of spraying additives.
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Porous surfaces of materials have shown huge potentialities for endowing materials with multifarious functions. Despite introducing gas-confined-barriers in supercritical CO2 foaming technology is effective to weaken the gas escape effect and facilitate the preparation of porous surfaces, the differences in intrinsic properties between barriers and polymers result in bottlenecks like cell structure adjustment limitation and incompletely eliminated solid skin layers. This study undertakes a preparation approach for porous surfaces by foaming at incompletely healed polystyrene/polystyrene interfaces. In contrast with employing gas-confined-barriers reported before, the porous surfaces foamed at incompletely healed polymer/polymer interfaces show a monolayer, full-open cell morphology, and wide adjustable range in cell structures including cell size (120 nmâ¼15.68 µm), cell density (3.40 × 105 cells/cm2â¼3.47 × 109 cells/cm2), and surface roughness (0.50 µmâ¼7.22 µm). Furthermore, the wettability of obtained porous surfaces depending on the cell structures is systematically discussed. Finally, a super-hydrophobic surface with hierarchical micro-nanoscale roughness, low water adhesion, and high water-impact resistance is built by depositing nanoparticles on a porous surface. Consequently, this study offers a clean and simple method to prepare porous surfaces with adjustable cell structures, which is expected to open a door to developing a new fabrication technique for micro/nano-porous surfaces.
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Activated carbon fibers (ACFs) as one of the most important porous carbon materials are widely used in many applications that involve rapid adsorption and low-pressure loss, including air purification, water treatment, and electrochemical applications. For designing such fibers for the adsorption bed in gas and aqueous phases, in-depth comprehension of the surface components is crucial. However, achieving reliable values remains a major challenge due to the high adsorption affinity of ACFs. To overcome this problem, we propose a novel approach to determine London dispersive components (γSL) of the surface free energy of ACFs by inverse gas chromatography (IGC) technique at an infinite dilution. Our data reveal the γSL values at 298 K for bare carbon fibers (CFs) and the ACFs to be 97 and 260-285 mJ·m-2, respectively, which lie in the regime of secondary bonding of physical adsorption. Our analysis indicates that these are impacted by micropores and defects on the carbon surfaces. Comparing the γSL obtained by the traditional Gray's method, our method is concluded as the most accurate and reliable value for the hydrophobic dispersive surface component of porous carbonaceous materials. As such, it could serve as a valuable tool in designing interface engineering in adsorption-related applications.
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Regenerated cellulose packaging materials can alleviate the environmental pollution and carbon emissions caused by conventional plastics and other chemicals. They require regenerated cellulose films with good barrier properties, such as strong water resistance. Herein, using an environmentally friendly solvent at room temperature, a straightforward procedure for synthesizing these regenerated cellulose (RC) films, with excellent barrier properties and doping with nano-SiO2, is presented. After the surface silanization modification, the obtained nanocomposite films exhibited a hydrophobic surface (HRC), in which the nano-SiO2 provided a high mechanical strength, whereas octadecyltrichlorosilane (OTS) provided hydrophobic long-chain alkanes. The contents of the nano-SiO2 and the concentrations of the OTS/n-hexane in regenerated cellulose composite films are crucial, as they define its morphological structure, tensile strength, UV-shielding ability, and the other performance of these composite films. When the nano-SiO2 content was 6%, the tensile stress of the composite film (RC6) increased by 41.2%, the maximum tensile stress was 77.22 MPa, and the strain-at-break was 14%. Meanwhile, the HRC films had more superior multifunctional integrations of tensile strength (73.91 MPa), hydrophobicity (HRC WCA = 143.8°), UV resistance (>95%), and oxygen barrier properties (5.41 × 10-11 mL·cm/m2·s·Pa) than the previously reported regenerated cellulose films in packaging materials. Moreover, the modified regenerated cellulose films could biodegrade entirely in soil. These results provide an experimental basis for preparing regenerated-cellulose-based nanocomposite films that exhibit a high performance in packaging applications.
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A venous retention needle, as an implanted device, is very likely to cause thrombosis. In view of the thrombosis phenomenon caused by retention needles, this paper compares the influence of different superhydrophobic surface retentions on blood flow. Compared with other superhydrophobic bulges, the fluid velocity of the four-prism bulge is the highest (0.08 m/s), and the vorticity and shear force of the hemispherical bulge are higher. A large number of vortices can inhibit thrombosis better. The tire vortices generated in the superhydrophobic convex grooves are important vortices to inhibit thrombosis. The enhancement and development of the tire vortex weakens the resistance near the wall of the needle and reduces the probability of platelet aggregation. The superhydrophobic surface structure studied in this paper can not only provide guidance for the design of venous retention needles with better performance but also provide corresponding technical support for the development of human implantation devices.
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Hemodinámica , Trombosis , Humanos , Venas , Velocidad del Flujo Sanguíneo/fisiologíaRESUMEN
In this study, we developed a one-step method for fabricating hydrophobic surfaces on copper (Cu) substrates. Cuprous oxide (Cu2O) with low free energy was successfully formed after low-fluence laser direct irradiation. The formation of Cu2O enhanced the hydrophobicity of the Cu substrate surface, and the contact angle linearly increased with the proportion of Cu2O. The Cu2O fabricated by low-fluence laser treatment showed the same crystal plane orientation as the pristine Cu substrate, implying an epitaxial growth of Cu2O on a Cu substrate.
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Plastic pollution is a major environmental concern due to its deleterious effects on various ecosystems. The limitations and shortcomings of waste management strategies has led to the over-accumulation of plastic waste, mainly comprised of single-use plastics, such as polystyrene (PS). Considering the advantages of biotransformation over the other plastic disposal methods, it has become a major focus of the modern research. Biotransformation of plastics involves its microbial hydrolysis into short chain oligomers and monomers that are eventually assimilated as carbon source by the microbes leading to the release of CO2. As fungi are known to possess multifarious and highly regulated enzyme system capable of utilizing diverse nutrient sources, the present study explored the potential of Lichtheimia ramosa AJP11 towards myco-transformation of polystyrene sulfonate (PSS), a structural analogue of polystyrene (PS). During the 30-day incubation period of L. ramosa AJP11 in minimal salt medium (MSM)+1% PSS, the fungus showed 41.6% increment in its fresh weight biomass, indicating the utilization of PSS as sole carbon source. Further analysis revealed the generation of various reaction intermediates such as alkanes and fatty acids, crucial for the continuum of fungal metabolic pathways. Moreover, detection of PS oligomers such as cyclohexane and 2,4-DTBP confirmed the myco-transformation of PSS. The extracellular fungal protein profile showed considerable overexpression of a 14.4 kDa protein, characterized to be a hydrophobic surface binding (Hsb) protein, which is hypothesized to adsorb onto the PSS to facilitate its transformation. Further, in silico analysis of Hsb protein indicated it to be an amphiphilic α-helical protein with ability to bind styrene sulfonate unit via both hydrogen and hydrophobic interactions, with a binding energy of -5.02 kcal mol-1. These findings open new avenues for over expression of Hsb under controlled reactor conditions to accelerate the PS waste disposal.
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Ecosistema , Poliestirenos , Poliestirenos/química , Plásticos , CarbonoRESUMEN
This paper presents a method for the formation of composite-polymer-containing coatings on MA8 Mg alloy by plasma electrolytic oxidation (PEO), followed by the deposition of a fluoropolymer from an aqueous suspension of superdispersed polytetrafluoroethylene. The Scanning Electron Microscope(SEM), Energy Dispersive Spectroscopy(EDS), and X-ray Diffraction(XRD) analyses established morphological features as well as elemental and phase composition of composite coatings. The fact that the pores are filled with a fluoropolymer has been experimentally confirmed. An assessment of the corrosion properties of formed composite coatings revealed a decrease in the corrosion current density by more than four orders of magnitude in comparison with the base PEO layer. The highest resistance to the damaging effects of a corrosive environment, according to the results of long-term exposure tests, was demonstrated by coatings after three treatments with polytetrafluoroethylene. The obtained polymer-containing coatings have antifriction properties, reducing the wear of the coatings by more than 27-fold in comparison with the base PEO layer. It was revealed that composite coatings have superhydrophobic properties: the value of the contact angle reaches 154°, and the hysteresis of the contact angle is less than 10°.
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Continuous real-time measurement of specific targets in complex biological samples is of great significance for early diagnosis and treatment of diseases and thus enables achievement of personalized medicine. Electrochemical aptamer-based (E-AB) sensors are good candidates to fill this role due to their high specificity, sensitivity, rapid detection, and simple preparation. However, this sensor class suffers from severe baseline drift in the complex matrix probably due to the nonspecific adsorption of components. Here, we introduce a series of self-assembled monolayers with a variety of hydrophobic functional groups into an E-AB sensor platform, achieving enhancement of the antifouling performance and thus the detection performance (e.g., stability, sensitivity, and specificity). We reveal that the antifouling performance enhanced by such hydrophobic SAMs is probably due to its instant adsorption of components onto the surface, rather than the repelling of these components by hydrophilic SAMs in previous reports.
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Aptámeros de Nucleótidos , Técnicas Biosensibles , Aptámeros de Nucleótidos/química , Técnicas ElectroquímicasRESUMEN
Polyimide membranes have excellent physiochemical properties which make them valuable materials for optical area. However, common aromatic polyimide membrane trend to show low transmittance in visible region because of the charge-transfer complex (CTC) in molecular structures. Moreover, it's trending to show high moisture uptakes because of the hydrophilic imide rings in molecular structure. In this work, a polyimide composite membrane with SiO2 antireflective membrane on both sides was prepared. High transmittance (93% within 500~800 nm) and surface hydrophobicity was realized simultaneously. The polyimide composite membrane showed great optical homogeneity. The SiO2 antireflective membranes on polyimide substrate were prepared through a simple and efficient sol-gel method. The surface roughness of polyimide membrane substrate on each side has been improved to 1.56 nm and 3.14 nm, respectively. Moreover, the excellent thermal stability and mechanical property of polyimide membrane has been preserved, which greatly improves the range of applications for the composite membrane. It is a good candidate for light weight optical system.