| 1. |
- Al-Hinai, Muna H., et al.
(författare)
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Antimicrobial Activity Enhancement of Poly(ether sulfone) Membranes by in Situ Growth of ZnO Nanorods
- 2017
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Ingår i: ACS Omega. - : AMER CHEMICAL SOC. - 2470-1343. ; 2:7, s. 3157-3167
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Tidskriftsartikel (refereegranskat)abstract
- Composite poly(ether sulfone) membranes integrated with ZnO nanostructures either directly blended or grown in situ have enhanced antibacterial activity with improved functionality in reducing the biofouling in water treatment applications. The pore structure and surface properties of the composite were studied to investigate the effect of the addition of ZnO nanostructures. The hydrophilicity of the blended membranes increased with a higher content of ZnO nanoparticles in the membrane (2-6%), which could be further controlled by varying the growth conditions of ZnO nanorods on the polymer surface. Improved water flux, bovine serum albumin rejection, and inhibition of Escherichia coli bacterial growth under visible light irradiation was observed for the membranes decorated with ZnO nanorods compared to those in the membranes simply blended with ZnO nanoparticles. No regrowth of E. coli was recorded even 2 days after the incubation.
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| 2. |
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| 3. |
- Andersson, Hanna, 1979, et al.
(författare)
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Assessing the Ability of Spectroscopic Methods to Determine the Difference in the Folding Propensities of Highly Similar beta-Hairpins
- 2017
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Ingår i: Acs Omega. - : American Chemical Society (ACS). - 2470-1343. ; 2:2, s. 508-516
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Tidskriftsartikel (refereegranskat)abstract
- We have evaluated the ability of nuclear magnetic resonance (NMR) and circular dichroism (CD) spectroscopies to describe the difference in the folding propensities of two structurally highly similar cyclic beta-hairpins, comparing the outcome to that of molecular dynamics simulations. NAMFIS-type NMR ensemble analysis and CD spectroscopy were observed to accurately describe the consequence of altering a single interaction site, whereas a single-site C-13 NMR chemical shift melting curve-based technique was not.
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| 4. |
- Arkell, Karolina, et al.
(författare)
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Mechanistic Modeling of Reversed-Phase Chromatography of Insulins with Potassium Chloride and Ethanol as Mobile-Phase Modulators
- 2017
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Ingår i: ACS Omega. - : American Chemical Society (ACS). - 2470-1343. ; 2, s. 136-146
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Tidskriftsartikel (refereegranskat)abstract
- The purpose of this study was to investigate the adsorption mechanism in reversed-phase chromatography (RPC) of proteins and to develop a model for the effect of dual mobile phase modulators—a salt and an organic solvent—on this process. Two different adsorption mechanisms were considered: (1) pure association of a protein molecule and one or more ligands and (2) displacement of the organic modulator, with which the adsorbent is saturated, by the protein upon association with one or more ligands. One model was then derived from each of the two considered mechanisms, combining thermodynamic theories on salting-in, RPC, and the solubility of proteins. The model was then applied to chromatographic data from an earlier report as well as supplementary data for solubility and vapor–liquid equilibria, and case-specific simplifications were made. We found that an adaptation of Kirkwood’s electrostatic theories to hydrophobic interaction chromatography describes the observed effect of KCl well. Combining chromatographic and solubility data for one of the insulins, we concluded that the variation in the activity coefficient of the insulin with respect to the concentration of ethanol alone cannot describe its effect on retention. Consequently, one or more other phenomena must affect the adsorption process. Our second model fits the retention data well, supporting the hypothesis that ethanol is directly involved in the adsorption mechanism in this case. Using additional experiments at a high-protein load, we extended the linear-range equilibrium model into a dynamic model for preparative conditions. This model shows good agreement with the high-load data for one of the insulin variants, without any additional effects of the modulator concentrations on the adsorption capacity.
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| 5. |
- Aung, Su Htike, et al.
(författare)
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2-(4-Butoxyphenyl)-N-hydroxyacetamide : An Efficient Preadsorber for Dye-Sensitized Solar Cells
- 2017
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Ingår i: ACS Omega. - : American Chemical Society (ACS). - 2470-1343. ; 2:5, s. 1820-1825
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Tidskriftsartikel (refereegranskat)abstract
- The effect of chemical modification of mesoporous TiO2 electrodes by 2-(4-butoxyphenyl)-N-hydroxyacetamide (BPHA) before dye adsorption is investigated in dye-sensitized solar cells (DSCs). Two organic dyes, LEG4 and Dyenamo blue, were used in combination with the cobalt (II/III) tris(bipyridine) redox couple. The photovoltaic performance of the DSCs is clearly enhanced by BPHA. Preadsorption of mesoporous TiO2 electrodes with BPHA lowered the amount of adsorbed dye but improved the shortcircuit current densities and the power conversion efficiencies by 10-20%, while keeping the open-circuit potential essentially unaffected. Notably, BPHA improved the LEG4 performance, whereas it has been reported for this dye that chenodeoxycholic acid as a coadsorbent lowers solar cell efficiency. Faster dye regeneration was found to be one reason for improved performance, but improved electron injection efficiency may also contribute to the favorable effect of BPHA.
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| 6. |
- Bhagavathiachari, Muthuraaman, et al.
(författare)
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Polymer-doped molten salt mixtures as a new concept for electrolyte systems in dye-sensitized solar cells
- 2017
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Ingår i: ACS Omega. - : American Chemical Society. - 2470-1343. ; 2:10, s. 6570-6575
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Tidskriftsartikel (refereegranskat)abstract
- A conceptually new polymer electrolyte for dye-sensitized solar cells is reported and investigated. The benefits of using this type of electrolyte based on ionic liquid mixtures (ILMs) and room temperature ionic liquids are highlighted. Impedance spectroscopy and transient electron measurements have been used to elucidate the background of the photovoltaic performance. Even though larger recombination losses were noted, the high ion mobility and conductivity induced in the ILMs by the added polymer result in enhanced overall conversion efficiencies.
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| 7. |
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| 8. |
- Cassimjee, Karim Engelmark, et al.
(författare)
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Streamlined Preparation of Immobilized Candida antarctica Lipase B
- 2017
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Ingår i: ACS Omega. - : American Chemical Society (ACS). - 2470-1343. ; 2:12, s. 8674-8677
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Tidskriftsartikel (refereegranskat)abstract
- Candida antarctica lipase B (CalB) was efficiently expressed (6.2 g L-1) in Escherichia coli by utilizing an N-terminal tag cassette and the XylS/Pm expression system in a fed-batch bioreactor; subsequent direct binding to EziG from crude extracts resulted in an immobilized catalyst with superior activity to Novozym 435.
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| 9. |
- Chen, Junsheng, et al.
(författare)
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Photostability of the Oleic Acid-Encapsulated Water-Soluble CdxSeyZn1-xS1-y Gradient Core-Shell Quantum Dots
- 2017
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Ingår i: ACS Omega. - : American Chemical Society (ACS). - 2470-1343. ; 2:5, s. 1922-1929
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Tidskriftsartikel (refereegranskat)abstract
- Composite systems where quantum dots (QDs) are combined with other nanomaterials (e.g., gold nanorods) in aqueous solutions have attracted broad attention - both for their potential in applications and for studies of fundamental processes. However, high-quality QDs are typically prepared in organic solvents, and the transfer of QDs to an aqueous phase is needed to create the desired QD composites. Photostability of the transferred QDs - both the steady-state and photo-induced dynamic properties - is essential for studying the processes in the composites and for their applications. We present a detailed study of the photostability of aqueous CdxSeyZn1-xS1-y gradient core-shell QDs obtained by various approaches using linker exchange and surfactant encapsulation. Beside the steady-state photoluminescence (PL) emission stability, we also study changes in the PL decay. From the variety of the studied samples, the water-soluble QDs encapsulated by a double layer of oleic acid show superior properties, that is, stable PL emission and PL decay under continuous light or pulsed-laser light irradiation. We demonstrate that the double-layer encapsulation of QDs can be used to create QDs-metal nanoparticle composites.
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| 10. |
- Gao, Chunxia, et al.
(författare)
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Analysis of Biphenyl-Type Inhibitors Targeting the Eg5 alpha 4/alpha 6 Allosteric Pocket
- 2017
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Ingår i: Acs Omega. - : American Chemical Society (ACS). - 2470-1343. ; 2:5, s. 1836-1849
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Tidskriftsartikel (refereegranskat)abstract
- Eg5 is a mitotic kinesin protein that plays an important role in the formation and maintenance of the bipolar spindle during the mitotic phase. Due to its potentially reduced side effects in cancer therapy, Eg5 is considered to be an attractive target for developing anticancer inhibitors. Herein, we report a computational modeling study involving biphenyl-type inhibitors known to interact with the a4/a6 allosteric pocket of Eg5. Compared to the well-known a2/L5/a3 allosteric inhibitors, biphenyltype inhibitors show a unique activity profile. In the Eg5-PVZB1194 (a biphenyl-type inhibitor) crystal structure, loop L11, which is located in the entrance of the alpha 4/alpha 6 allosteric-binding pocket, is missing due to crystal-packing effects. To better understand the role of this flexible loop upon biphenyl-type inhibitor-binding, MD simulations were performed to observe the L11 conformations from different states. It was demonstrated that L11 was more stabilized and showed less fluctuation when PVZB1194 was bound to Eg5. Residue Asn287 from L11 forms hydrogen bonding to the sulfone group of PVZB1194, whereby L11 moves inward to the alpha 4/alpha 6 allosteric pocket and moves away from the pocket in absence of the inhibitor. Pharmacophore, three-dimensional (3D)-QSAR, and ADME studies of biphenyl-type inhibitors of Eg5 were also performed. A best pharmacophore model, DDRRH. 6, was generated, having correlation coefficients in the 3D-QSAR study of R-2 = 0.81 and Q(2) = 0.64. Furthermore, docking studies were carried out to observe the interaction between the remaining biphenyl-type inhibitors with Eg5. In addition, on the basis of fragment docking, a structure-based pharmacophore was generated, which shares good overlap of the DHRR features of the pharmacophore model DDHRR. 6. The structure-based pharmacophore also contains extra hydrogen-bond acceptors and hydrophobic groups, features which provide possibilities in developing new or improved series of compounds.
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