Kinetics Study of the Acidic Catalyzed Polymerization of Tetraethoxysilane by 29Si NMR.

1988 ◽  
Vol 121 ◽  
Author(s):  
Jean-Claude Pouxviel ◽  
J. P. Boilot
Keyword(s):  
Significant Contribution ◽  
Hydrolysis Rate ◽  
Hydroxyl Groups ◽  
29Si Nmr ◽  
Condensation Reactions ◽  
Levels Of Detail ◽  
Degree Of Condensation ◽  
By Products ◽  
Different Levels

ABSTRACTTEOS has been hydrolysed under acidic condition with stoichiome-tric or excess amount of water. Evolution of the silicon species is followed by 29Si NMR. The data are analyzed at different levels of detail; first, analysis of the by products of polymerization reactions, second determination of the extents and overall rate constants of hydrolysis and condensation reactions and finally kinetics simulations of the evolution taking into account all the present silicon species. We have shown that the hydrolysis rate increases with the number of hydroxyl groups, and the reesterification reactions have a significant contribution. We also found that condensation reactions preferentially occur with loss of water between the more hydrolyzed monomers; their rates rapidly decrease with the degree of condensation. We compare the two compositions as a function of their water content and pH.

On-the-Fly Determination of Active Region Centers in Adaptive-Partitioning QM/MM

2020 ◽  
Author(s):  
Zenghui Yang
Keyword(s):  
Quantum Mechanics ◽  
Active Region ◽  
Molecular Mechanics ◽  
Active Regions ◽  
Available Energy ◽  
Adaptive Partitioning ◽  
Different Levels

Quantum mechanics/molecular mechanics (QM/MM) methods partition the system into active and environmental regions and treat them with different levels of theory, achieving accuracy and efficiency at the same time. Adaptive-partitioning (AP) QM/MM methods allow on-the-fly changes to the QM/MM partitioning of the system. Many of the available energy-based AP-QM/MM methods partition the system according to distances to pre-chosen centers of active regions. For such AP-QM/MM methods, I develop an adaptive-center (AC) method that allows on-the-fly determination of the centers of active regions according to general geometrical or potential-related criteria, extending the range of application of energy-based AP-QM/MM methods to systems where active regions may occur or vanish during the simulation.

Development of a Simulation-Based Process Chain – Strategy for Different Levels of Detail for the Preprocessing Definitions

2011 ◽  
Vol 21 (3-4) ◽  
pp. 135-140 ◽  
Author(s):  
Toni A. Krol ◽  
Sebastian Westhäuser ◽  
M. F. Zäh ◽  
Johannes Schilp ◽  
G. Groth
Keyword(s):  
Process Chain ◽  
Levels Of Detail ◽  
Simulation Based ◽  
Different Levels

scholarly journals Circulating bioactive sclerostin levels in an Austrian population-based cohort

2021 ◽  
Author(s):  
Katharina Kerschan-Schindl ◽  
Ursula Föger-Samwald ◽  
Andreas Gleiss ◽  
Stefan Kudlacek ◽  
Jacqueline Wallwitz ◽  
...  
Keyword(s):  
Serum Levels ◽  
Population Based ◽  
Negative Regulator ◽  
Total Serum ◽  
Mineral Density ◽  
Cross Sectional ◽  
Robust Parameter ◽  
Austrian Population ◽  
Different Levels

Summary Background Circulating serum sclerostin levels are supposed to give a good estimation of the levels of this negative regulator of bone mass within bone. Most studies evaluating total serum sclerostin found different levels in males compared to females and in older compared to younger subjects. Besides an ELISA detecting total sclerostin an ELISA determining bioactive sclerostin has been developed. The aim of this study was to investigate serum levels of bioactive sclerostin in an Austrian population-based cohort. Methods We conducted a cross-sectional observational study in 235 healthy subjects. Using the bioactive ELISA assay (Biomedica) bioactive sclerostin levels were evaluated. Results Serum levels of bioactive sclerostin were higher in men than in women (24%). The levels correlated positively with age (r = 0.47). A positive correlation could also be detected with body mass index and bone mineral density. Conclusion Using the ELISA detecting bioactive sclerostin our results are consistent with data in the literature obtained by different sclerostin assays. The determination of sclerostin concentrations in peripheral blood thus appears to be a robust parameter of bone metabolism.

scholarly journals Simultaneous determination of various platycosides in Four Platycodon grandiflorum cultivars by UPLC-QTOF/MS

2019 ◽  
Vol 62 (1) ◽  
Author(s):  
Dae Young Lee ◽  
Bo-Ram Choi ◽  
Jae Won Lee ◽  
Yurry Um ◽  
Dahye Yoon ◽  
...  
Keyword(s):  
Principal Component ◽  
Ultra Performance Liquid Chromatography ◽  
Platycodon Grandiflorum ◽  
Pentacyclic Triterpenoid ◽  
Flight Mass Spectrometry ◽  
Platycodi Radix ◽  
Isomeric Pairs ◽  
Different Levels

Abstract In Platycodi Radix (root of Platycodon grandiflorum), there are a number of platycosides that consist of a pentacyclic triterpenoid aglycone and two sugar moieties. Due to the pharmacological activities of platycosides, it is critical to assess their contents in PR, and develop an effective method to profile various platycosides is required. In this study, an analytical method based on ultra performance liquid chromatography coupled with quadrupole time-of-flight/mass spectrometry (UPLC-QTOF/MS) with an in-house library was developed and applied to profile various platycosides from four different Platycodi Radix cultivars. As a result, platycosides, including six isomeric pairs, were successfully analyzed in the PRs. In the principal component analysis, several platycosides were represented as main variables to differentiate the four Platycodi Radix cultivars. Their different levels of platycosides were also represented by relative quantification. Finally, this study indicated the proposed method based on the UPLC-QTOF/MS can be an effective tool for identifying the detail characterization of various platycosides in the Platycodi Radix.

scholarly journals Biodegradable Chitosan Films with ZnO Nanoparticles Synthesized Using Food Industry By-Products—Production and Characterization

Coatings ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 646
Author(s):  
Victor Gomes Lauriano Souza ◽  
Marta M. Alves ◽  
Catarina F. Santos ◽  
Isabel A. C. Ribeiro ◽  
Carolina Rodrigues ◽  
...  
Keyword(s):  
Zinc Oxide Nanoparticles ◽  
Food Industry ◽  
Low Cost ◽  
Young Modulus ◽  
Barrier Properties ◽  
Zno Nps ◽  
Elongation At Break ◽  
Chitosan Films ◽  
By Products ◽  
Different Levels

This work aimed to produce bionanocomposites of chitosan incorporated with zinc oxide nanoparticles (ZnO NPs) synthesized using food industry by-products and to characterize them. Such nanoparticles are highlighted due to their low cost, antimicrobial activity, accessibility, and sustainability synthesis. Four different levels of ZnO NPs (0, 0.5, 1.0, and 2.0% w/w of chitosan) were tested, and the bionanocomposites were characterized in terms of their hydrophobicity, mechanical, optical, and barrier properties. Overall, the incorporation of ZnO NPs changed the composites from brittle to ductile, with enhanced elongation at break and reduced Young Modulus and tensile strength. Thus, ZnO NPs acted as plasticizer, turning the films more flexible, due to the presence of organic compounds on the NPs. This also favored permeability of oxygen and of water vapor, but the good barrier properties were maintained. Optical properties did not change statistically with the ZnO NPs incorporation. Thus, the characterization presented in this paper may contribute to support a decision on the choice of the material’s final application.

Antimicrobial and antibiofilm activities of meropenem loaded-mesoporous silica nanoparticles against carbapenem-resistant Pseudomonas aeruginosa

2021 ◽  
pp. 088532822110038
Author(s):  
Mohammad Yousef Memar ◽  
Mina Yekani ◽  
Hadi Ghanbari ◽  
Edris Nabizadeh ◽  
Sepideh Zununi Vahed ◽  
...  
Keyword(s):  
Pseudomonas Aeruginosa ◽  
Mesoporous Silica ◽  
Silica Nanoparticles ◽  
Mesoporous Silica Nanoparticles ◽  
Carbapenem Resistant ◽  
Toxicity In Vitro ◽  
Different Levels

The aims of the present study were the determination of antimicrobial and antibiofilm effects of meropenem-loaded mesoporous silica nanoparticles (MSNs) on carbapenem resistant Pseudomonas aeruginosa ( P. aeruginosa) and cytotoxicity properties in vitro. The meropenem-loaded MSNs had shown antibacterial and biofilm inhibitory activities on all isolates at different levels lower than MICs and BICs of meropenem. The viability of HC-04 cells treated with serial concentrations as MICs and BICs of meropenem-loaded MSNs was 92–100%. According to the obtained results, meropenem-loaded MSNs display the significant antibacterial and antibiofilm effects against carbapenem resistant and biofilm forming P. aeruginosa and low cell toxicity in vitro. Then, the prepared system can be an appropriate option for the delivery of carbapenem for further evaluation in vivo assays.

Investigation of Na+ and K+ Transport in Halophytes: Functional Analysis of the HmHKT2;1 Transporter from Hordeum maritimum and Expression under Saline Conditions

2019 ◽  
Vol 60 (11) ◽  
pp. 2423-2435 ◽  
Author(s):  
Dorsaf Hmidi ◽  
Dorsaf Messedi ◽  
Claire Corratg�-Faillie ◽  
Th�o Marhuenda ◽  
C�cile Fizames ◽  
...  
Keyword(s):  
Absorption Efficiency ◽  
Extracellular Loop ◽  
Transmembrane Segment ◽  
Transport Pathway ◽  
Reverse Transcription Pcr ◽  
Encoding Gene ◽  
K Transport ◽  
Different Levels ◽  
Adaptation To Salinity

Abstract Control of K+ and Na+ transport plays a central role in plant adaptation to salinity. In the halophyte Hordeum maritimum, we have characterized a transporter gene, named HmHKT2;1, whose homolog HvHKT2;1 in cultivated barley, Hordeum vulgare, was known to give rise to increased salt tolerance when overexpressed. The encoded protein is strictly identical in two H. maritimum ecotypes, from two biotopes (Tunisian sebkhas) affected by different levels of salinity. These two ecotypes were found to display distinctive responses to salt stress in terms of biomass production, Na+ contents, K+ contents and K+ absorption efficiency. Electrophysiological analysis of HmHKT2;1 in Xenopus oocytes revealed distinctive properties when compared with HvHKT2;1 and other transporters from the same group, especially a much higher affinity for both Na+ and K+, and an Na+–K+ symporter behavior in a very broad range of Na+ and K+ concentrations, due to reduced K+ blockage of the transport pathway. Domain swapping experiments identified the region including the fifth transmembrane segment and the adjacent extracellular loop as playing a major role in the determination of the affinity for Na+ and the level of K+ blockage in these HKT2;1 transporters. The analysis (quantitative reverse transcription-PCR; qRT-PCR) of HmHKT2;1 expression in the two ecotypes submitted to saline conditions revealed that the levels of HmHKT2;1 transcripts were maintained constant in the most salt-tolerant ecotype whereas they decreased in the less tolerant one. Both the unique functional properties of HmHKT2;1 and the regulation of the expression of the encoding gene could contribute to H. maritimum adaptation to salinity.

The determination of betaine in sugar beet by-products

The Analyst ◽  
1936 ◽  
Vol 61 (729) ◽  
pp. 829 ◽  
Author(s):  
J. W. Blood ◽  
H. T. Cranfield
Keyword(s):  
Sugar Beet ◽  
By Products
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