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1.
Coupling of side chain dynamics over long distances is an important component of allostery. Methionine side chains show the largest intrinsic flexibility among methyl-containing residues but the actual degree of conformational averaging depends on the proximity and mobility of neighboring residues. The 13C NMR chemical shifts of the methyl groups of methionine residues located at long distances in the same protein show a similar scaling with respect to the values predicted from the static X-ray structure by quantum methods. This results in a good linear correlation between calculated and observed chemical shifts. The slope is protein dependent and ranges from zero for the highly flexible calmodulin to 0.7 for the much more rigid calcineurin catalytic domain. The linear correlation is indicative of a similar level of side-chain conformational averaging over long distances, and the slope of the correlation line can be interpreted as an order parameter of the global side-chain flexibility.  相似文献   
2.

The presence of Mn(II) in water exceeding the permitted concentration limits declared by the World Health Organization (WHO) influences individuals, animals, and the ecosystem negatively. Therefore, there is a necessity for an efficient material to eliminate this potentially toxic element from wastewater. We herein focused on the adsorptive removal of Mn(II) ions from polluted aqueous media using natural Egyptian glauconite clay (G) and its nanocomposites with modified chitosan (CS). We applied modified chitosan with glutaraldehyde (GL), ethylenediaminetetraacetic acid (EDTA), sodium dodecyl sulfate (SDS), and cetyltrimethyl ammonium bromide (CTAB). The utilized nanocomposites were referred to as GL-CS/G, EDTA-GL-CS/G, SDS-CS/G, and CTAB-CS/G, respectively. The point of zero charge values of the materials were estimated. The adsorption properties of the G clay and its nanocomposites toward the removal of Mn(II) ions from polluted aqueous media as well as the adsorption mechanism were explored using a batch technique. The glauconite (G) and its nanocomposites: GL-CS/G, CTAB-CS/G, EDTA-GL-CS/G, and SDS-CS/G, exhibited maximum adsorption capacity values of 3.60, 24.0, 26.0, 27.0, and 27.9 mg g?1, respectively. The adsorption results fitted well the Langmuir isotherm and pseudo-second-order kinetic models. The estimated thermodynamic parameters: ΔH° (from 1.03 to 5.55 kJ/mol) and ΔG° (from ? 14.5 to ? 18.8 kJ/mol), indicated that Mn(II) ion adsorption process was endothermic, spontaneous, and physisorption controlled. Furthermore, the obtained adsorption results are encouraging and revealing a great potentiality for using the modified adsorbents as accessible adsorbents for Mn(II) ion removal from polluted aqueous solutions, depending on their reusability, high stability, and good adsorption capacities.

Graphic Abstract
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3.
Nutrient Cycling in Agroecosystems - Reducing agriculturally derived diffuse contaminant losses (via non-point sources) from land to water has proven difficult for decades. Owing to the diversity...  相似文献   
4.
Inhibition of PSD-95 has emerged as a promising strategy for the treatment of ischemic stroke, as shown with peptide-based compounds that target the PDZ domains of PSD-95. In contrast, developing potent and drug-like small molecules against the PSD-95 PDZ domains has so far been unsuccessful. Here, we explore the druggability of the PSD-95 PDZ1-2 domain and use fragment screening to investigate if this protein is prone to binding small molecules. We screened 2500 fragments by fluorescence polarization (FP) and validated the hits by surface plasmon resonance (SPR), including an inhibition counter-test, and found four promising fragments. Three ligand efficient fragments were shown by 1H,15N HSQC NMR to bind in the small hydrophobic P0 pockets of PDZ1-2, and one of them underwent structure-activity relationship (SAR) studies. Overall, we demonstrate that fragment screening can successfully be applied to PDZ1-2 of PSD-95 and disclose novel fragments that can serve as starting points for optimization towards small-molecule PDZ domain inhibitors.  相似文献   
5.
6.
Silicon - Feeling prone to stress differs with plant production stage, water scarcity near commencement of grain filling phase has a significant reduced grain yield through fewer endosperm and sink...  相似文献   
7.
Silicon - Magnesium calcium silicate nanostructures (MCSNS) loaded with (0.0, 0.6, 0.9, and 1.2 wt%) of Cephradine-drug consisting of mesoporous particles were functionally prepared by sol-gel...  相似文献   
8.
Surface patterning is a recent promising approach to promote performance of pressure-driven membranes in water treatment and desalination. Nevertheless, knowledge about foulant deposition mechanisms, especially at early stage of filtration, is still lacking. The applicability of particle imaging velocimetry to study fluid characteristics atop surface patterned thin-film composite membranes was investigated at different operating conditions. This work is an important first step toward reliable understanding of the impacts of topographical membrane surface modification on hydrodynamic conditions and foulant deposition mechanisms.  相似文献   
9.
The effects of natural disasters, pandemic-induced lockdowns, and other disruptions often cascade across networks. In this work, we use minimum cost of resilience (MCOR) and operation-based resilience metrics to quantify network performance against single-connectivity failures and identify critical connections in interconnected networks. MCOR corresponds to the minimum additional infrastructure investment that is required to achieve a certain level of resilience. To guarantee MCOR, we incorporate the metrics in a multi-scenario mixed-integer linear program (MILP) that accounts for resilience in the design phase of interconnected networks. The goal is to obtain optimal generation and transportation capacities with flexible operation under all single-connectivity disruption scenarios. We demonstrate the applicability of our resilience-aware framework on a water-energy nexus (WEN) example focusing on grass-root design and retrofitting. We further apply the framework to analyze a regional WEN and observe that it is possible to achieve “full” resilience in the expense of additional regional investments.  相似文献   
10.
Due to the growing energy requirements, the proportion of external thermal insulation composite systems (ETICS) installed has increased significantly during the past 50 years. Due to the longevity of these systems, ETICS waste is currently accumulating. Owing to the complex construction as well as a multitude of differently installed materials and substances of the past generations, there are many uncertainties and problems with the clean and low-pollutant processing of such systems. In the frame of this work, the ETICS were processed and sorted before being screened for ingredients or pollutants as well as for the purity of the recovered material fractions.  相似文献   
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