Search NASA⌕ Search
Home/Archive/DOE OSTI

DOE OSTI · 1006115

Composing complex EXAFS problems with severe information constraints

Ravel, B
View original source ↗Export metadata ↓

Abstract

In recent work, a model for the structural environment of Hg bound to a catalytic DNA sensor was proposed on the basis of EXAFS data analysis. Although severely constrained by limited data quality and scant supporting structural data, a compelling structural model was found which agreed with a similar but less detailed model proposed on the basis on NMR data. I discuss in detail the successes and limitations of the analytical strategy that were implemented in the earlier work. I then speculate on future software requirements needed to make this and similarly complex analytical strategies more available to the wider audience of EXAFS practitioners.

Explore related subjects

59 BASIC BIOLOGICAL SCIENCES99 GENERAL AND MISCELLANEOUSABSORPTIONDATA ANALYSISDNAFINE STRUCTURESTRUCTURAL MODELS

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Ravel, B. 2010-05-06. Composing complex EXAFS problems with severe information constraints. https://doi.org/10.1088/1742-6596%2F190%2F1%2F012026

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related reports

DOE OSTI2026

Soil metagenomics umbrella narrative

Implementing accessible, authentic research experiences in introductory courses is challenging, particularly at institutions serving diverse student populations. To address this gap, we developed and deployed a Course-based Undergraduate Research Experience (CURE) focused on plant-microbe interactions in General Biology II at Northeastern Illinois University (NEIU), a minority-serving institution with a diverse student body. Students grew sugar beets (Beta vulgaris), extracted DNA from the rhizoplane, and used the Department of Energy Systems Biology Knowledgebase (KBase) for bioinformatic analysis to compare microbial relative abundance in fertilized versus unfertilized soil. Over five semesters, the CURE engaged 103 students and leveraged the intuitive KBase platform to make complex sequencing data accessible. Pre/post-course survey data revealed significant increases in student self-assessed research skills, including the ability to explain results and determine the types of data to collect. Furthermore, students reported significant gains in confidence related to experimental design and hypothesis development, alongside a strong increase in familiarity with KBase. Informal faculty feedback indicated high student engagement and appreciation for the real-world connections (e.g. food systems, agriculture, and health). This scalable, low-cost model effectively integrates data science tools into the foundational curriculum, demonstrating a potent strategy for boosting research skills and broadening participation in authentic scientific inquiry among diverse undergraduate students.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Genome-resolved insights into microbial diversity and elemental cycling in Winogradsky columns

We retained 18 MAGs with ≥50% completion and <10% contamination (i.e., at least medium quality). Of these, 10 had >90% completion and <5% contamination; however, only one (Paceibacteria Bin.003_MG) can be described as high-quality, as the others lacked a full suite of 5S, 16S, and 23S rRNA genes. To maximize the diversity of our recovered MAGs, we also retained one MAG (Chromatiaceae Bin.008_AM) with >40% (but less than 50%) completion and <5% contamination, as well as one (Rhodopseudomonas Bin.015_MK) with >90% completion and <20% (but>10%) contamination. Interestingly, significant chimerism was not detected in this MAG (40) , suggesting that the elevated contamination (20%) may instead reflect two closely related strains collapsing into a single bin. Consistent with this, contig coverage was bimodal, with roughly 17% of the assembly at ~115x and the remaining 83% at ~282x, while GC content remained uniform across both groups (~64%), arguing against contamination from a taxonomically distinct source.

59 BASIC BIOLOGICAL SCIENCES↗