Here the use of a broad energy bandwidth monochromator, a pair of BC/W multilayer mirrors (MLMs), is demonstrated for X-ray total scattering (TS) measurements and pair distribution function (PDF) analysis. Data are collected both on powder samples and from metal oxo clusters in aqueous solution at various concentrations. A comparison between the MLM PDFs and those obtained using a standard Si(111) double-crystal monochromator shows that the measurements yield MLM PDFs of high quality which are suitable for structure refinement. Moreover, the effects of time resolution and concentration on the quality of the resulting PDFs of the metal oxo clusters are investigated. PDFs of heptamolybdate clusters and tungsten α-Keggin clusters from X-ray TS data were obtained with a time resolution down to 3 ms and still showed a similar level of Fourier ripples to PDFs obtained from 1 s measurements. This type of measurement could thus open up faster time-resolved TS and PDF studies.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10241043 | PMC |
| http://dx.doi.org/10.1107/S1600576723004016 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Distribution and Environmental Preference of Potential Mercury Methylators in Paddy Soils across China.
Environ Sci Technol
January 2025
National Key Laboratory of Agricultural Microbiology and College of Resources and Environment, Huazhong Agricultural University, Wuhan 430070, China.
The neurotoxin methylmercury (MeHg) is produced mainly from the transformation of inorganic Hg by microorganisms carrying the gene pair. Paddy soils are known to harbor diverse microbial communities exhibiting varying abilities in methylating inorganic Hg, but their distribution and environmental drivers remain unknown at a large spatial scale. Using gene amplicon sequencing, this study examined Hg-methylating communities from major rice-producing paddy soils across a transect of ∼3600 km and an altitude of ∼1300 m in China.
View Article and Find Full Text PDFNormalized Protein-Ligand Distance Likelihood Score for End-to-End Blind Docking and Virtual Screening.
J Chem Inf Model
January 2025
Department of Chemistry, New York University, New York, New York 10003, United States.
Molecular Docking is a critical task in structure-based virtual screening. Recent advancements have showcased the efficacy of diffusion-based generative models for blind docking tasks. However, these models do not inherently estimate protein-ligand binding strength thus cannot be directly applied to virtual screening tasks.
View Article and Find Full Text PDFIn-Situ Formation of Three-Dimensional Network Intrinsic Microporous Ladder Polymer Membranes with Ultra-High Gas Separation Performance and Anti-Trade-Off Effect.
Angew Chem Int Ed Engl
January 2025
State Key Laboratory of Separation Membranes and Membrane Processes, School of Materials Science and Engineering, Tiangong University, Tianjin, 300387, P. R. China.
The global quest for clean energy and sustainable processes makes advanced membrane extremely attractive for energy-intensive industrial gas separations. Here, we disclosed a series of ultra-high-performance gas separation membranes (PIM-3D-TB) from novel network polymers of intrinsic microporosity (PIM) that combine the advantages of solution processible PIM and small pore size distribution (PSD) of porous organic polymers (POP), which was synthesized by in situ copolymerization of triptycene-2,6-diamine as linear part and triptycene-2,6,13(14)-triamine (TTA) as crosslinker. The resulting PIM-3D-TB membranes demonstrated outstanding separation properties that outperformed the latest trade-off lines for H/CH and O/N.
View Article and Find Full Text PDFBernoulli trial under subsystem restarts: Two competing searchers looking for a target.
Chaos
January 2025
Research Center for Computer Science and Information Technologies, Macedonian Academy of Sciences and Arts, Bul. Krste Misirkov 2, 1000 Skopje, Macedonia.
We study a pair of independent searchers competing for a target under restarts and find that introduction of restarts tends to enhance the search efficiency of an already efficient searcher. As a result, the difference between the search probabilities of the individual searchers increases when the system is subject to restarts. This result holds true independent of the identity of individual searchers or the specific details of the distribution of restart times.
View Article and Find Full Text PDFStudy on the crack propagation morphology and initiation law of coal rock under the action of underwater electric pulse.
Sci Rep
January 2025
School of Resources and Civil Engineering, Northeastern University, Shenyang, 110819, China.
Based on the symmetric initiation mechanism of double-wing cracks in coal rock mass induced by high-pressure electro-recoil water pressure, fracturing experiments have been performed on coal rock mass under different water pressures and discharge conditions using high-voltage electric pulse hydraulic fracturing devices. Combined with CT scans, the crack spatial distribution inside the post-break coal rock mass was analyzed and found that the edge of the water injection hole is prone to produce double-wing cracks along the drilling hole diameter. ABAQUS is used to verify the physical test and extend the test conditions, the geometric parameter change, morphological expansion rule and crack initiation mechanism of double-wing crack in coal rock mass under different discharge conditions and ground stress conditions are studied.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!