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A High-Throughput Experimental Approach to Screening Gas Sorption by Liquids and Solids.

ABSTRACT: High-precision measurement of gas uptake from single or mixed feeds in solid and liquid sorbents traditionally requires time-consuming experimental procedures and/or complex and costly equipment. A simple and cost-effective headspace gas chromatography (HS-GC) approach for the fast, universal experimental screening of sorbents for gas uptake and/or determination of their real gas separation selectivity has been developed and is demonstrated for pressures up to 2500 mbar and temperatures above 30 °C. This method allows screening of solids and both volatile and nonvolatile liquid materials, physisorbents, and chemisorbents using both single and mixed permanent gases that can include CO₂, CH₄, H₂, and NH₃, for gas uptakes as low as 0.04 mmol or 1.8 mg of CO₂. We estimate that this method allows for the screening of at least 30-96 sorbents (in triplicate) or 90-264 sorbents (singles) per day, representing at least a 90-3000 times reduction in the time required for equivalent analysis.

SUBMITTER: Young JM

PROVIDER: S-EPMC10731633 | biostudies-literature | 2023 Dec

REPOSITORIES: biostudies-literature

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A High-Throughput Experimental Approach to Screening Gas Sorption by Liquids and Solids.

Young J Mark JM McCalmont Sam H SH Fourmentin Sophie S Manesiotis Panagiotis P Holbrey John D JD Moura Leila L

ACS sustainable chemistry & engineering 20231207 50

High-precision measurement of gas uptake from single or mixed feeds in solid and liquid sorbents traditionally requires time-consuming experimental procedures and/or complex and costly equipment. A simple and cost-effective headspace gas chromatography (HS-GC) approach for the fast, universal experimental screening of sorbents for gas uptake and/or determination of their real gas separation selectivity has been developed and is demonstrated for pressures up to 2500 mbar and temperatures above 30 ...[more]

PMID: 38130843

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Project description:BackgroundHigh-throughput screening (HTS) is a key part of the drug discovery process during which thousands of chemical compounds are screened and their activity levels measured in order to identify potential drug candidates (i.e., hits). Many technical, procedural or environmental factors can cause systematic measurement error or inequalities in the conditions in which the measurements are taken. Such systematic error has the potential to critically affect the hit selection process. Several error correction methods and software have been developed to address this issue in the context of experimental HTS 1234567. Despite their power to reduce the impact of systematic error when applied to error perturbed datasets, those methods also have one disadvantage - they introduce a bias when applied to data not containing any systematic error 6. Hence, we need first to assess the presence of systematic error in a given HTS assay and then carry out systematic error correction method if and only if the presence of systematic error has been confirmed by statistical tests.ResultsWe tested three statistical procedures to assess the presence of systematic error in experimental HTS data, including the ?2 goodness-of-fit test, Student's t-test and Kolmogorov-Smirnov test 8 preceded by the Discrete Fourier Transform (DFT) method 9. We applied these procedures to raw HTS measurements, first, and to estimated hit distribution surfaces, second. The three competing tests were applied to analyse simulated datasets containing different types of systematic error, and to a real HTS dataset. Their accuracy was compared under various error conditions.ConclusionsA successful assessment of the presence of systematic error in experimental HTS assays is possible when the appropriate statistical methodology is used. Namely, the t-test should be carried out by researchers to determine whether systematic error is present in their HTS data prior to applying any error correction method. This important step can significantly improve the quality of selected hits.

Project description:Since the time of Faraday's experiments, the optical response of plasmonic nanofluids has been tailored by the shape, size, concentration, and material of nanoparticles (NPs), or by mixing different types of NPs. To date, water-based liquids have been the most extensively investigated host media, while polymers, such as poly(ethylene glycol) (PEG), have frequently been added to introduce repulsive steric interactions and protect NPs from agglomeration. Here, we introduce an inverse system of non-aqueous nanofluids, in which Ag and Cu NPs are dispersed in PEG (400 g mol-1), with no solvents or chemicals involved. Our single-step approach comprises the synthesis of metal NPs in the gas phase using sputtering-based gas aggregation cluster sources, gas flow transport of NPs, and their deposition (optionally simultaneous) on the PEG surface. Using computational fluid dynamics simulations, we show that NPs diffuse into PEG at an average velocity of the diffusion front of the order of μm s-1, which is sufficient for efficient loading of the entire polymer bulk. We synthesize yellow Ag/PEG, green Cu/PEG, and blue Ag/Cu/PEG nanofluids, in which the color is given by the position of the plasmon resonance. NPs are prone to partial agglomeration and sedimentation, with a slower kinetics for Cu. Density functional theory calculations combined with UV-vis data and zeta-potential measurements prove that the surface oxidation to Cu2O and stronger electrostatic repulsion are responsible for the higher stability of Cu NPs. Adopting the De Gennes formalism, we estimate that PEG molecules adsorb on the NP surface in mushroom coordination, with the thickness of the adsorbed layer L < 1.4 nm, grafting density σ < 0.20, and the average distance between the grafted chains D > 0.8 nm. Such values provide sufficient steric barriers to retard, but not completely prevent, agglomeration. Overall, our approach offers an excellent platform for fundamental research on non-aqueous nanofluids, with metal-polymer and metal-metal interactions unperturbed by the presence of solvents or chemical residues.

Project description:This study provides a deep modern insight into the phylogenetic diversity among bacterial consortia found in working and nonworking high-methane natural gas pipelines located in Poland. The working pipeline was characterized by lower biodiversity (140-154 bacterial genera from 22 to 23 classes, depending on the source of the debris) in comparison to the off-gas pipeline (169 bacterial genera from 23 classes). The sediment recovered from the working pipeline contained mostly DNA identified as belonging to the phylum Firmicutes (66.4%-45.9% operational taxonomic units [OTUs]), predominantly Bacillus (41.4%-31.1% OTUs) followed by Lysinibacillus (2.6%-1.5% OTUs) and Clostridium (2.4%-1.8% OTUs). In the nonworking pipeline, Proteobacteria (46.8% OTUs) and Cyanobacteria (27.8% OTUs) were dominant. Over 30% of the Proteobacteria sequences showed homologies to Gammaproteobacteria, with Pseudomonas (7.1%), Enhydrobacter (2.1%), Stenotrophomonas (0.5%), and Haempohilus (0.4%) among the others. Differences were noted in terms of the chemical compositions of deposits originating from the working and nonworking gas pipelines. The deposits from the nonworking gas pipeline contained iron, as well as carbon (42.58%), sulphur (15.27%), and oxygen (15.32%). This composition can be linked to both the quantity and type of the resident microorganisms. The presence of a considerable amount of silicon (17.42%), and of aluminum, potassium, calcium, and magnesium at detectable levels, may likewise affect the metabolic activity of the resident consortia in the working gas pipeline. All the analyzed sediments included both bacteria known for causing and intensifying corrosion (e.g., Pseudomonas, Desulfovibrio, Shewanella, Serratia) and bacteria that can protect the surface of pipelines against deterioration (e.g., Bacillus). Biocorrosion is not related to a single mechanism or one species of microorganism, but results from the multidirectional activity of multiple microbial communities. The analysis presented here of the state of the microbiome in a gas pipeline during the real gas transport is a particularly valuable element of this work.

Dataset Information

A High-Throughput Experimental Approach to Screening Gas Sorption by Liquids and Solids.

Publications

A High-Throughput Experimental Approach to Screening Gas Sorption by Liquids and Solids.

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