| 1. |
- Abitbol, Tiffany, et al.
(författare)
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Isolation of Mixed Compositions of Cellulose Nanocrystals, Microcrystalline Cellulose, and Lignin Nanoparticles from Wood Pulps
- 2023
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Ingår i: ACS Omega. - : American Chemical Society (ACS). - 2470-1343. ; 8:24, s. 21474-21484
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Tidskriftsartikel (refereegranskat)abstract
- From a circular economyperspective, one-pot strategies for theisolation of cellulose nanomaterials at a high yield and with multifunctionalproperties are attractive. Here, the effects of lignin content (bleachedvs unbleached softwood kraft pulp) and sulfuric acid concentrationon the properties of crystalline lignocellulose isolates and theirfilms are explored. Hydrolysis at 58 wt % sulfuric acid resulted inboth cellulose nanocrystals (CNCs) and microcrystalline celluloseat a relatively high yield (>55%), whereas hydrolysis at 64 wt% gaveCNCs at a lower yield (<20%). CNCs from 58 wt % hydrolysis weremore polydisperse and had a higher average aspect ratio (1.5-2x),a lower surface charge (2x), and a higher shear viscosity (100-1000x).Hydrolysis of unbleached pulp additionally yielded spherical nanoparticles(NPs) that were <50 nm in diameter and identified as lignin bynanoscale Fourier transform infrared spectroscopy and IR imaging.Chiral nematic self-organization was observed in films from CNCs isolatedat 64 wt % but not from the more heterogeneous CNC qualities producedat 58 wt %. All films degraded to some extent under simulated sunlighttrials, but these effects were less pronounced in lignin-NP-containingfilms, suggesting a protective feature, but the hemicellulose contentand CNC crystallinity may be implicated as well. Finally, heterogeneousCNC compositions obtained at a high yield and with improved resourceefficiency are suggested for specific nanocellulose uses, for instance,as thickeners or reinforcing fillers, representing a step toward thedevelopment of application-tailored CNC grades.
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| 2. |
- 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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| 3. |
- Al-Jayyousi, Hiba, et al.
(författare)
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Exploring the Superior Anchoring Performance of the Two-Dimensional Nanosheets B2C4P2 and B3C2P3 for Lithium-Sulfur Batteries
- 2022
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Ingår i: ACS Omega. - : American Chemical Society. - 2470-1343. ; 7:43, s. 38543-38549
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Tidskriftsartikel (refereegranskat)abstract
- Potential anchoring materials in lithium–sulfur batteries help overcome the shuttle effect and achieve long-term cycling stability and high-rate efficiency. The present study investigates the two-dimensional nanosheets B2C4P2 and B3C2P3 by employing density functional theory calculations for their promise as anchoring materials. The nanosheets B2C4P2 and B3C2P3 bind polysulfides with adsorption energies in the range from −2.22 to −0.75 and −2.43 to −0.74 eV, respectively. A significant charge transfer occurs from the polysulfides, varying from −0.74 to −0.02e and −0.55 to −0.02e for B2C4P2 and B3C2P3, respectively. Upon anchoring the polysulfides, the band gap of B3C2P3 reduces, leading to enhanced electrical conductivity of the sulfur cathode. Finally, the calculated barrier energies of B2C4P2 and B3C2P3 for Li2S indicate fast diffusion of Li when recharged. These enthralling characteristics propose that the nanosheets B2C4P2 and B3C2P3 could reduce the shuttle effect in Li–S batteries and significantly improve their cycle performance, suggesting their promise as anchoring materials.
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| 4. |
- Al-Shammari, Rusul M., et al.
(författare)
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Single-Molecule Nonresonant Wide-Field Surface-Enhanced Raman Scattering from Ferroelectrically Defined Au Nanoparticle Microarrays
- 2018
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Ingår i: ACS Omega. - : AMER CHEMICAL SOC. - 2470-1343. ; 3:3, s. 3165-3172
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Tidskriftsartikel (refereegranskat)abstract
- Single-molecule detection by surface-enhanced Raman scattering (SERS) is a powerful spectroscopic technique that is of interest for the sensor development field. An important aspect of optimizing the materials used in SERS-based sensors is the ability to have a high density of "hot spots" that enhance the SERS sensitivity to the single-molecule level. Photodeposition of gold (Au) nanoparticles through electric-field-directed self-assembly on a periodically proton-exchanged lithium niobate (PPELN) substrate provides conditions to form well-ordered microscale features consisting of closely packed Au nanoparticles. The resulting Au nanoparticle microstructure arrays (microarrays) are plasmon-active and support nonresonant single-molecule SERS at ultralow concentrations (<10(-9)-10(-13) M) with excitation power densities <1 x 10(-3) W cm(-2) using wide-field imaging. The microarrays offer excellent SERS reproducibility, with an intensity variation of <7.5% across the substrate. As most biomarkers and molecules do not support resonance enhancement, this work demonstrates that PPELN is a suitable template for high-sensitivity, nonresonant sensing applications.
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| 5. |
- Alimohammadzadeh, Rana, et al.
(författare)
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Mild and Versatile Functionalization of Nacre-Mimetic Cellulose Nanofibrils/Clay Nanocomposites by Organocatalytic Surface Engineering
- 2020
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Ingår i: ACS Omega. - : American Chemical Society (ACS). - 2470-1343. ; 5:31, s. 19363-19370
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Tidskriftsartikel (refereegranskat)abstract
- Development of surface-engineering strategies, which are facile, versatile, and mild, are highly desirable in tailor-made functionalization of high-performance bioinspired nanocomposites. We herein disclose for the first time a general organocatalytic strategy for the functionalization and hydrophobization of nacre-mimetic nanocomposites, which includes vide supra key aspects of surface engineering. The merging of metal-free catalysis and the design of nacre-mimetic nanocomposite materials were demonstrated by the organocatalytic surface engineering of cellulose nanofibrils/clay nanocomposites providing the corresponding bioinspired nanocomposites with good mechanical properties, hydrophobicity, and useful thia-, amino, and olefinic functionalities.
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| 6. |
- Alvarado Ávila, María Isabel, et al.
(författare)
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Cerium Oxide on a Fluorinated Carbon-Based Electrode as a Promising Catalyst for Hypochlorite Production
- 2022
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Ingår i: ACS Omega. - : American Chemical Society (ACS). - 2470-1343. ; 7:42, s. 37465-37475
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Tidskriftsartikel (refereegranskat)abstract
- Sodium hypochlorite (NaOCl) is widely used as a disinfectant agent for water treatment and surface cleaning. A straightforward way to produce NaOCl is by the electrolysis of an aqueous sodium chloride (NaCl) solution. This process presents several side reactions decreasing its efficiency with hypochlorite reduction on the cathode surface being one of the main detrimental reactions. In this work, we have studied carbon-based electrodes modified with cerium oxide (CeO2), fluorine, and platinum nanoparticles as cathodes for hypochlorite production. Fluorination was carried out electrochemically; the polyol method was used to synthesize platinum nanoparticles; and the hydrothermal process was applied to form a CeO2 layer. Scanning electron microscopy, FTIR, and inductively coupled plasma (ICP) indicated the presence of cerium oxide as a film, fluorine groups on the substrate, and a load of 3.2 mg/cm2 of platinum nanoparticles and 2.7 mg/cm2 of CeO2. From electrochemical impedance spectroscopy, it was possible to demonstrate that incorporating platinum and fluorine decreases the charge transfer resistance by 16% and 28%, respectively. Linear sweep voltammetry showed a significant decrease in hypochlorite reduction when the substrate was doped with fluorine from -16.6 mA/cm2 at -0.6 V to -9.64 mA/cm2 that further reduced to -8.78 mA/cm2 with cerium oxide covered fluorinated electrodes. The performance of the cathode materials during hypochlorite production improved by 80% compared with pristine activated carbon cloth (ACC) electrodes. The improvement toward hindering NaOCl reduction is probably caused by the incorporation of a partial negative charge upon doping with fluorine.
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| 7. |
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| 8. |
- Amjad, Muhammad Raiees, et al.
(författare)
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Carbonate Reservoir Quality Variations in Basins with a Variable Sediment Influx: A Case Study from the Balkassar Oil Field, Potwar, Pakistan
- 2023
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Ingår i: ACS Omega. - : American Chemical Society (ACS). - 2470-1343. ; 8:4, s. 4127-4145
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Tidskriftsartikel (refereegranskat)abstract
- The carbonate reservoir quality is strongly reliant on the compaction process during sediment burial and other processes such as cementation and dissolution. Porosity and pore pressure are the two main factors directly affected by mechanical and chemical compactions. Porosity reduction in these carbonates is critically dependent on the overburden stress and subsidence rate. A variable sediment influx in younger basins may lead to changes in the reservoir quality in response to increasing lithostatic pressure. Deposition of molasse sediments as a result of the Himalayan orogeny caused variations in the sedimentation influx in the Potwar Basin of Pakistan throughout the Neogene times. The basic idea of this study is to analyze the carbonate reservoir quality variations induced by the compaction and variable sediment influx. The Sakesar Limestone of the Eocene age, one of the proven carbonate reservoirs in the Potwar Basin, shows significant changes in the reservoir quality, specifically in terms of porosity and pressure. A 3D seismic cube (10 km2) and three wells of the Balkassar field are used for this analysis. To determine the vertical and lateral changes of porosity in the Balkassar area, porosity is computed from both the log and seismic data. The results of both the data sets indicate 2–4% porosities in the Sakesar Limestone. The porosity reduction rate with respect to the lithostatic pressure computed with the help of geohistory analysis represents a sharp decrease in porosity values during the Miocene times. Pore pressure predictions in the Balkassar OXY 01 well indicate underpressure conditions in the Sakesar Limestone. The Eocene limestones deposited before the collision of the Indian plate had enough time for fluid expulsion and show underpressure conditions with high porosities.
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| 9. |
- 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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| 10. |
- Andersson, Hanna, Dr. 1979-, et al.
(författare)
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Binding of 2-(Triazolylthio)acetamides to Metallo-beta-lactamase CcrA Determined with NMR
- 2020
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Ingår i: ACS Omega. - : American Chemical Society (ACS). - 2470-1343. ; 5:34, s. 21570-21578
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Tidskriftsartikel (refereegranskat)abstract
- Metallo-beta-lactamase (MBL)-producing bacteria resistant to beta-lactam antibiotics are a serious threat to human health. Despite great efforts and important progress in the discovery of MBL inhibitors (MBLIs), there is none in clinical use. Herein, inhibitor complexes of the MBL CcrA were investigated by NMR spectroscopy to provide perspectives on the further development of 2-(triazolylthio)acetamide-type MBLIs. By using the NMR-based chemical shift perturbation (CSP) and direction of CSP methodologies together with molecular docking, the spatial orientation of three compounds in the CcrA active site was investigated (4-6). Inhibitor 6 showed the best binding affinity (K-d approximate to 2.3 +/- 0.3 mu M), followed by 4 (K-d approximate to 11 +/- 11 mu M) and 5 (K-d = 34 +/- 43 mu M), as determined from the experimental NMR data. Based on the acquired knowledge, analogues of other MBLIs (1-3) were designed and evaluated in silico with the purpose of examining a strategy for promoting their interactions with the catalytic zinc ions.
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