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1.
Rambau Khavharendwe Melba Tarimo Delvina Japhet Fasakin Oladepo Musyoka Nicholas Mulei Manyala Ncholu 《Journal of Applied Electrochemistry》2022,52(5):821-834
Journal of Applied Electrochemistry - The paper presents a comparative study between aluminum fumarate metal–organic framework (Al-FumMOF) and a novel coal fly ash derived aluminum MOF... 相似文献
2.
Alex Buchberger Harpinder Saini Kiarash Rahmani Eliato Azadeh Zare Ryan Merkley Yang Xu Julio Bernal Robert Ros Mehdi Nikkhah Dr. Nicholas Stephanopoulos 《Chembiochem : a European journal of chemical biology》2021,22(10):1755-1760
Biomaterials with dynamically tunable properties are critical for a range of applications in regenerative medicine and basic biology. In this work, we show the reversible control of gelatin methacrylate (GelMA) hydrogel stiffness through the use of DNA crosslinkers. We replaced some of the inter-GelMA crosslinks with double-stranded DNA, allowing for their removal through toehold-mediated strand displacement. The crosslinks could be restored by adding fresh dsDNA with complementary handles to those on the hydrogel. The elastic modulus (G’) of the hydrogels could be tuned between 500 and 1000 Pa, reversibly, over two cycles without degradation of performance. By functionalizing the gels with a second DNA strand, it was possible to control the crosslink density and a model ligand in an orthogonal fashion with two different displacement strands. Our results demonstrate the potential for DNA to reversibly control both stiffness and ligand presentation in a protein-based hydrogel, and will be useful for teasing apart the spatiotemporal behavior of encapsulated cells. 相似文献
3.
Gianmarco Mangiaterra Elisa Carotti Salvatore Vaiasicca Nicholas Cedraro Barbara Citterio Anna La Teana Francesca Biavasco 《International journal of molecular sciences》2021,22(4)
The occurrence of Pseudomonas aeruginosa (PA) persisters, including viable but non-culturable (VBNC) forms, subpopulations of tolerant cells that can survive high antibiotic doses, is the main reason for PA lung infections failed eradication and recurrence in Cystic Fibrosis (CF) patients, subjected to life-long, cyclic antibiotic treatments. In this paper, we investigated the role of subinhibitory concentrations of different anti-pseudomonas antibiotics in the maintenance of persistent (including VBNC) PA cells in in vitro biofilms. Persisters were firstly selected by exposure to high doses of antibiotics and their abundance over time evaluated, using a combination of cultural, qPCR and flow cytometry assays. Two engineered GFP-producing PA strains were used. The obtained results demonstrated a major involvement of tobramycin and bacterial cell wall-targeting antibiotics in the resilience to starvation of VBNC forms, while the presence of ciprofloxacin and ceftazidime/avibactam lead to their complete loss. Moreover, a positive correlation between tobramycin exposure, biofilm production and c-di-GMP levels was observed. The presented data could allow a deeper understanding of bacterial population dynamics during the treatment of recurrent PA infections and provide a reliable evaluation of the real efficacy of the antibiotic treatments against the bacterial population within the CF lung. 相似文献
4.
Dr. Katie R. Witkin Dr. Nicholas R. Vance Colleen Caldwell Dr. Quinn Li Dr. Liping Yu Prof. M. Ashley Spies 《ChemMedChem》2020,15(4):376-384
Glutamate racemases (GR) are members of the family of bacterial enzymes known as cofactor-independent racemases and epimerases and catalyze the stereoinversion of glutamate. D-amino acids are universally important for the proper construction of viable bacterial cell walls, and thus have been repeatedly validated as attractive targets for novel antimicrobial drug design. Significant aspects of the mechanism of this challenging stereoinversion remain unknown. The current study employs a combination of MD and QM/MM computational approaches to show that the GR from H. pylori must proceed via a pre-activation step, which is dependent on the enzyme's flexibility. This mechanism is starkly different from previously proposed mechanisms. These findings have immediate pharmaceutical relevance, as the H. pylori GR enzyme is a very attractive allosteric drug target. The results presented in this study offer a distinctly novel understanding of how AstraZeneca's lead series of inhibitors cripple the H. pylori GR's native motions, via prevention of this critical chemical pre-activation step. Our experimental studies, using SPR, fluorescence and NMR WaterLOGSY, show that H. pylori GR is not inhibited by the uncompetitive mechanism originally put forward by Lundqvist et al.. The current study supports a deep connection between native enzyme motions and chemical reactivity, which has strong relevance to the field of allosteric drug discovery. 相似文献
5.
This study examined airborne emissions from cigarette butts for styrene, 2-methyl-2-cyclopenten-1-one, naphthalene, triacetin, and nicotine. Ten experiments were conducted by placing butts in a stainless steel chamber and measuring the chemical concentrations in chamber air. Emission rates were determined from the concentrations. Triacetin and nicotine concentrations were roughly 50% of initial concentrations after 100 hours, while concentrations of other chemicals decayed to less than 10% of initial concentrations within 24 hours. Initial emission rates per cigarette butt ranged from 200 to 3500 ng h−1. Triacetin and nicotine emission rates at 25°C were 1.6 to 2.2 times higher than the rates at 20°C, while the emission rates of other chemicals at 25°C were 1.1 to 1.3 times higher than the rates at 20°C only during the first sampling period. The chemical concentrations and emission rates at 30°C were comparable or lower than the values at 25°C, possibly due to different batches of cigarettes used. The 24-hours emitted mass of nicotine from a cigarette butt at 25°C could be up to 14% of the literature reported nicotine masses emitted from a burning cigarette. 相似文献
6.
Nicholas Vergeylen Kenneth Srensen Pieter Vansteenwegen 《International Transactions in Operational Research》2020,27(6):2695-2714
This paper introduces an efficient algorithm for the bike request scheduling problem (BRSP). The BRSP is built around the concept of request, defined as the pickup or dropoff of a number of identical items (bikes) at a specific station, within a certain time window, and with a certain priority. The aim of the BRSP is to sequence requests on (and hence determine the routes of) a set of vehicles, in such a way that the sum of the priorities of the executed requests is maximized, all time windows are respected, and the capacity of the vehicles is not exceeded. The generation of the set of requests is explicitly not a part of the problem definition of the BRSP. The primary application of the BRSP, from which it derives its name, is to determine the routes of a set of repositioning vehicles in a bike sharing system, although other applications exist. The algorithm introduced in this paper is based on a set of related greedy randomized adaptive search procedure followed by variable neighborhood descent (GRASP + VND) operators embedded in a large neighborhood search (LNS) framework. Since this paper presents the first heuristic for the BRSP, a computational comparison to existing approaches is not possible. We therefore compare the solutions found by our LNS heuristic to those found by an exact solver (Gurobi). These experiments confirm that the proposed algorithm scales to realistic dimensions and is able to find near‐optimal solutions in seconds. 相似文献
7.
Mariagrazia Fortino Alessandro Berselli Nicholas Stone-Weiss Lu Deng Ashutosh Goel Jincheng Du Alfonso Pedone 《Journal of the American Ceramic Society》2019,102(12):7225-7243
Borates and borosilicates are potential candidates for the design and development of glass formulations with important industrial and technological applications. A major challenge that retards the pace of development of borate/borosilicate based glasses using predictive modeling is the lack of reliable computational models to predict the structure-property relationships in these glasses over a wide compositional space. A major hindrance in this pursuit has been the complexity of boron-oxygen bonding due to which it has been difficult to develop adequate B–O interatomic potentials. In this article, we have evaluated the performance of three B–O interatomic potential models recently developed by Bauchy et al [J. Non-Cryst. Solids, 2018, 498, 294–304], Du et al [J. Am. Ceram. Soc. https://doi.org/10.1111/jace.16082 ] and Edèn et al [Phys. Chem. Chem. Phys., 2018, 20, 8192–8209] aiming to reproduce the short-to-medium range structures of sodium borosilicate glasses in the system 25 Na2O x B2O3 (75 − x) SiO2 (x = 0-75 mol%). To evaluate the different force fields, we have computed at the density functional theory level the NMR parameters of 11B, 23Na, and 29Si of the models generated with the three potentials and the simulated MAS NMR spectra compared with the experimental counterparts. It was observed that the rigid ionic models proposed by Bauchy and Du can both reliably reproduce the partitioning between BO3 and BO4 species of the investigated glasses, along with the local environment around sodium in the glass structure. However, they do not accurately reproduce the second coordination sphere of silicon ions and the Si–O–T (T = Si, B) and B-O-T distribution angles in the investigated compositional space which strongly affect the NMR parameters and final spectral shape. On the other hand, the core-shell parameterization model proposed by Edén underestimates the fraction of BO4 species of the glass with composition 25Na2O 18.4B2O3 56.6SiO2 but can accurately reproduce the shape of the 11B and 29Si MAS-NMR spectra of the glasses investigations due to the narrower B–O–T and Si-O-T bond angle distributions. Finally, the effect of the number of boron atoms (also distinguishing the BO3 and BO4 units) in the second coordination sphere of the network former cations on the NMR parameters have been evaluated. 相似文献
8.
Deep geological repositories for radioactive waste contain metallic materials, either used to construct disposal canisters or as low-/intermediate-level waste (L/ILW). The safety relevance of corrosion is linked to canister lifetime in the former case and gas generation in the latter. More specifically, the Belgian “supercontainer” concept envisages mild steel for the used fuel disposal canister, and in the case of the Swiss L/ILW repository, mild steels are the largest metallic waste component due to the decommissioning of civilian power-generating facilities. For these circumstances, the corrosion environment is dominated by the chemistry of cement, which is used as buffer or backfill material. The corrosion behaviour of mild steel in anoxic environments was studied through the analysis of the hydrogen end-product. Hydrogen analysis was conducted by periodically purging the cell head-space and analysing the gas using a solid-state hydrogen sensor. While this method is limited to providing only uniform corrosion rates averaged over periods of time, ranging from weeks to months, it provides excellent resolution and sensitivity. The test cell environments were matched against the anticipated Belgian high-level waste and Swiss L/ILW repository environments, and also against experiments that have been conducted by other researchers for comparative purposes. Samples were exposed to synthetic cement pore waters, representing fresh and degraded cement. In young cement waters, the formation of initial corrosion products resulted in steel wire corrosion rates of the order of µm/year, which, at 80°C rapidly declined to ∼10 nm/year. In contrast, SA516 grade 70 steel plate corroded much more slowly under similar conditions. In aged cement waters, initial corrosion rates were higher but declined faster towards a longer-term rate of ∼10 nm/year. 316L stainless steel, embedded in cementitious material, corroded at a rate of <1 nm/year at 50°C. 相似文献
9.
The base and nucleotide excision repair pathways (BER and NER, respectively) are two major mechanisms that remove DNA lesions formed by the reactions of genotoxic intermediates with cellular DNA. It is generally believed that small non-bulky oxidatively generated DNA base modifications are removed by BER pathways, whereas DNA helix-distorting bulky lesions derived from the attack of chemical carcinogens or UV irradiation are repaired by the NER machinery. However, existing and growing experimental evidence indicates that oxidatively generated DNA lesions can be repaired by competitive BER and NER pathways in human cell extracts and intact human cells. Here, we focus on the interplay and competition of BER and NER pathways in excising oxidatively generated guanine lesions site-specifically positioned in plasmid DNA templates constructed by a gapped-vector technology. These experiments demonstrate a significant enhancement of the NER yields in covalently closed circular DNA plasmids (relative to the same, but linearized form of the same plasmid) harboring certain oxidatively generated guanine lesions. The interplay between the BER and NER pathways that remove oxidatively generated guanine lesions are reviewed and discussed in terms of competitive binding of the BER proteins and the DNA damage-sensing NER factor XPC-RAD23B to these lesions. 相似文献
10.
Prince G. Boakye Kerby C. Jones Nicholas P. Latona Cheng-Kung Liu Gary Strahan Jianwei Zhang Samuel A. Besong Stephen E. Lumor Victor T. Wyatt 《应用聚合物科学杂志》2019,136(31):47822
In previous studies, monoglycerides (MGs) were incorporated into the matrix of poly(glutaric acid–glycerol) films to investigate their effect on the thermal, mechanical, and solvent absorption properties of the resultant films. In this study, the same properties were monitored when fatty acid methyl esters (FAME) were added to the polymer film formulation. Thermogravimetric analysis showed that, while the decomposition profile of the FAME and MG-infused films were different, the final decomposition temperatures were similar for both film types at approximately 400 °C. Degree of branching (DB%) was calculated from nuclear magnetic resonance data and was used to examine the effect of DB% on the mechanical and absorption properties of the films. Experimental results did not show any correlation with DB% and any of the physical, chemical, mechanical, or thermal properties studied. Relative to the poly(glycerol–glutaric acid) control, the incorporation of MG into the polymer matrix resulted in improved % absorption but decreased the mechanical property values. Conversely, adding FAME into the matrix improved the mechanical property values; however, there was no significant change in the % absorption values relative to the control. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019 , 136, 47822. 相似文献