“…This could explain the obtained moisture adsorption capacity was higher over 50PEI/DHMS than 20PEI/DHMS. Actually, this type of interaction had broad application in selective adsorption and separation [ 32 – 34 ]. Fig.…”
Moisture control is an important part of effective maintenance program for gas-insulated switchgear (GIS). Herein, hexagonal mesoporous silica (HMS) materials were synthesized by adopting dodecylamine as a structure directing agent, which was then employed as a host for supporting polyethylenimine (PEI) without further calcinations or extraction treatment. The physicochemical properties of the silica support and composites were characterized, and the moisture adsorption capacity of these composites was determined. The reserved template agents resulted in a dramatic improvement in moisture adsorption amount. Among them, 50PEI/DHMS showed the highest adsorption value. The enhanced adsorption could be attributed to the generated hydrogen bonding between amino groups and H2O molecules and the improved diffusion of moisture into the bulk networks of PEI polymers due to its better spatial dispersion imposed by the long alkyl chains of template agents, which was confirmed by thermogravimetry results and hydrogen efficiency analysis. Moreover, the maintained terminal amino groups of templates could also function as active sites for moisture adsorption. The results herein imply that the PEI/DHMS composites could be appealing materials for capturing moisture in GIS.
“…This could explain the obtained moisture adsorption capacity was higher over 50PEI/DHMS than 20PEI/DHMS. Actually, this type of interaction had broad application in selective adsorption and separation [ 32 – 34 ]. Fig.…”
Moisture control is an important part of effective maintenance program for gas-insulated switchgear (GIS). Herein, hexagonal mesoporous silica (HMS) materials were synthesized by adopting dodecylamine as a structure directing agent, which was then employed as a host for supporting polyethylenimine (PEI) without further calcinations or extraction treatment. The physicochemical properties of the silica support and composites were characterized, and the moisture adsorption capacity of these composites was determined. The reserved template agents resulted in a dramatic improvement in moisture adsorption amount. Among them, 50PEI/DHMS showed the highest adsorption value. The enhanced adsorption could be attributed to the generated hydrogen bonding between amino groups and H2O molecules and the improved diffusion of moisture into the bulk networks of PEI polymers due to its better spatial dispersion imposed by the long alkyl chains of template agents, which was confirmed by thermogravimetry results and hydrogen efficiency analysis. Moreover, the maintained terminal amino groups of templates could also function as active sites for moisture adsorption. The results herein imply that the PEI/DHMS composites could be appealing materials for capturing moisture in GIS.
“…[26][27][28] Through MD simulations, in addition to protein-surface interactions, protein adsorption mechanisms, surface-induced conformational changes, and the effect of other factors on protein adsorption can be thoroughly investigated. 26,27,[29][30][31][32] According to the literature, some of the factors identified as affecting the adsorption of peptides or proteins on a surface include surface chemistry, pH 33 , ionic strength 31,32 , and structural topography 34,35 . The effect of all these parameters on the adsorption of HMGB1 to the implant surface has not been systematically investigated, or only limited work has been done.…”
Section: Introductionmentioning
confidence: 99%
“…Therefore, in this study we sought to understand the mechanistic details of such interactions using molecular dynamics (MD) computer simulation. MD can be considered as one of the most direct approaches to elucidate the adsorption mechanism of proteins on biomaterials and to understand the atomic details that occur at the protein–adsorbent interface. , Through MD simulations, in addition to protein–surface interactions, protein adsorption mechanisms, surface-induced conformational changes, and the effect of other factors on protein adsorption can be thoroughly investigated. ,− According to the literature, some of the factors identified as affecting the adsorption of peptides or proteins on a surface include surface chemistry, pH, ionic strength, , and structural topography. , The effect of all of these parameters on the adsorption of HMGB1 to the implant surface has not been systematically investigated, or only limited work has been done. Therefore, in this study, to advance our understanding of the interactions between HMGB1 and TiO 2 implant surfaces, we performed molecular dynamics computer simulations.…”
Due to its excellent chemical and mechanical properties, titanium has become the material of choice for orthopedic and dental implants to promote rehabilitation via bone anchorage and osseointegration. Titanium osseointegration is partially related to its capability to form a TiO 2 surface layer and its ability to interact with key endogenous proteins immediately upon implantation, establishing the first bone−biomaterial interface. Surgical trauma caused by implantation results in the release of high-mobility group box 1 (HMGB1) protein, which is a prototypic DAMP (damage-associated molecular pattern) with multiple roles in inflammation and tissue healing. To develop different surface strategies that improve the clinical outcome of titanium-based implants by controlling their biological activity, a molecular-scale understanding of HMGB1−surface interactions is desired. Here, we use molecular dynamics (MD) computer simulations to provide direct insight into the HMGB1 interactions and the possible molecular arrangements of HMGB1 on fully hydroxylated and nonhydroxylated rutile (110) TiO 2 surfaces. The results establish that HMGB1 is most likely to be adsorbed directly onto the surface regardless of surface hydroxylation, which is undesirable because it could affect its biological activity by causing structural changes to the protein. The hydroxylated TiO 2 surface shows a greater affinity for HMGB1 than the nonhydroxylated surface. The water layer on the nonhydroxylated TiO 2 surface prevents ions and the protein from directly contacting the surface. However, it was observed that if the ionic strength increases, the total number of ions adsorbed on the two surfaces increases and the protein's direct adsorption ability decreases. These findings will help to understand the HMGB1− TiO 2 interactions upon implantation as well as the development of different surface strategies by introducing ions or ionic materials to the titanium implant surface to modulate its interactions with HMGB1 to preserve biological function.
“…Particles were incubated with protein for 24 hours at 4ºC, at which point an equilibrium was assumed for BSA on the nanoparticle surface, although this does not account for multi-layer protein adsorption. The literature values for BSA adsorption onto similar silica or TiO2 nanoparticles are usually on the order of 10 11 molecules BSA/cm 2 nanoparticle surface [82,124,138,139]. In these studies, surface coverage was also on the order of 10 11 molecules (Table 3-2), with the adsorption to the TiO2 surface at pH 7.4 being the greatest and on the order of 10 12 .…”
Section: Quantification Of Protein Adsorption Onto the Nanoparticle Smentioning
confidence: 90%
“…The literature cites both the isoelectric point of the substrate and the protein as important values that mediate adsorption [50,123,138,141]. With these data, it is clear that pH plays a role in adsorption at other pH values as well.…”
support and guidance throughout this project. The knowledge that I gained from working with them is invaluable and I hope to continue practicing what I learned during my time with them. I would also like to thank my thesis committee, Drs. Julie Jessop, Sarah Larsen, and Aliasger Salem for their guidance with this project. I would also like to thank my mentors, Drs. Charles Stanier,
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