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"Schaefer, Marcel"
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Measuring quality of DNA sequence data via degradation
by
Porter, Adam A.
,
Hauzel, Jason
,
Schaefer, Marcel
in
Analysis
,
Anomalies
,
Biology and Life Sciences
2022
We formulate and apply a novel paradigm for characterization of genome data quality, which quantifies the effects of intentional degradation of quality. The rationale is that the higher the initial quality, the more fragile the genome and the greater the effects of degradation. We demonstrate that this phenomenon is ubiquitous, and that quantified measures of degradation can be used for multiple purposes, illustrated by outlier detection. We focus on identifying outliers that may be problematic with respect to data quality, but might also be true anomalies or even attempts to subvert the database.
Journal Article
Structure of Supramers Formed by the Amphiphile Biotin‐CMG‐DOPE
2020
The synthetic function‐spacer‐lipid (FSL) amphiphile biotin‐CMG‐DOPE is widely used for delicate ligation of living cells with biotin residues under physiological conditions. Since this molecule has an “apolar‐polar‐hydrophobic” gemini structure, the supramolecular organization is expected to differ significantly from the classical micelle. Its organization is investigated with experimental methods and molecular dynamics simulations (MDS). Although the linear length of a single biotin‐CMG‐DOPE molecule is 9.5 nm, the size of the dominant supramer globule is only 14.6 nm. Investigations found that while the DOPE tails form a hydrophobic core, the polar CMG spacer folds back upon itself and predominantly places the biotin reside inside the globule or planar layer. MDS demonstrates that <10 % of biotin residues on the highly water dispersible globules and only 1 % of biotin residues in layer coatings are in an linear conformation and exposing biotin into the aqueous medium. This explains why in biotin‐CMG‐DOPE apolar biotin residues both in water dispersible globules and coatings on solid surfaces are still capable of interacting with streptavidin. Binding cells together: Gemini amphiphile biotin‐CMG‐DOPE when coated on a surface forms a monolayer where quite non‐polar biotin residues are hidden in the hydrophobic DOPE zone, however ∼1 % of biotins are able to dynamically pop‐up and, therefore, bind to streptavidin.
Journal Article
Structure of Supramers Formed by the Amphiphile Biotin‐CMG‐DOPE
2020
Invited for this month's cover is the group of Prof. Nicolai Bovin from the Russian Academy of Sciences. The cover picture shows how a biotin residue initially hidden in a monolayer formed on the surface of a material by biot‐CMG‐DOPE (see top left) is pulled out of the layer by the streptavidin molecule (Str) that has come close to it (see below). This can be considered as a model of certain events (in particular, cis protein‐ligand interactions) occurring on the surface of a living cell when it is necessary to hide the ligand from undesirable interactions, but leave the possibility of its recognition by a high‐affinity protein. The picture is inspired by the legendary Yellow Submarine cartoon. Read the full text of their Full Paper at 10.1002/open.201900276. “…In real‐life biology, this is an ordinary scenario. For scientists, it is practically unexplored… Find out more about the story behind the front cover research at 10.1002/open.201900276.
Journal Article
Methods for Quantifying Expansion in Lithium-Ion Battery Cells Resulting from Cycling: A Review
2024
Significant efforts are being made across academia and industry to better characterize lithium ion battery cells as reliance on the technology for applications ranging from green energy storage to electric mobility increases. The measurement of short-term and long-term volume expansion in lithium-ion battery cells is relevant for several reasons. For instance, expansion provides information about the quality and homogeneity of battery cells during charge and discharge cycles. Expansion also provides information about aging over the cell’s lifetime. Expansion measurements are useful for the evaluation of new materials and the improvement of end-of-line quality tests during cell production. These measurements may also indicate the safety of battery cells by aiding in predicting the state of charge and the state of health over the lifetime of the cell. Expansion measurements can also assess inhomogeneities on the electrodes, in addition to defects such as gas accumulation and lithium plating. In this review, we first establish the mechanisms through which reversible and irreversible volume expansion occur. We then explore the current state-of-the-art for both contact and noncontact measurements of volume expansion. This review compiles the existing literature on four approaches to contact measurement and eight noncontact measurement approaches. Finally, we discuss the different considerations when selecting an appropriate measurement technique.
Journal Article
40 years of glyco-polyacrylamide in glycobiology
2021
Polyacrylamide conjugates of glycans have long been widely used in many research areas of glycobiology, mainly for immobilizing glycans in solid-phase assays and as multivalent inhibitors. Pending biotin tag allows immobilizing Glyc-PAA quantitatively on any surface, and acts as a tracer for detection of carbohydrate-binding proteins. However, the scope of already realized capabilities of these probes is immeasurably richer than those listed above. This review is not so much about routine as about less common, but not less significant applications. Also, the data on the glycopolymers themselves, their molecular weight, size and polymer chain flexibility are presented, as well as the methods of synthesis, clusterisation and entropy factor in their interaction with proteins.
Journal Article
Measuring quality of DNA sequence data via degradation
2022
We formulate and apply a novel paradigm for characterization of genome data quality, which quantifies the effects of intentional degradation of quality. The rationale is that the higher the initial quality, the more fragile the genome and the greater the effects of degradation. We demonstrate that this phenomenon is ubiquitous, and that quantified measures of degradation can be used for multiple purposes, illustrated by outlier detection. We focus on identifying outliers that may be problematic with respect to data quality, but might also be true anomalies or even attempts to subvert the database.
Journal Article
Structure of Supramers Formed by the Amphiphile Biotin‐CMG‐DOPE
2020
The Front Cover shows how a biotin residue initially hidden in a monolayer formed on the surface of a material by biot‐CMG‐DOPE is pulled out of the layer by the streptavidin molecule that has come close to it. This can be considered as a model for the surface of a living cell: sometimes molecules are able to hide from undesirable interactions and yet leave the possibility to be recognized by high‐affinity proteins. The picture is inspired by the legendary Yellow Submarine cartoon. More information can be found in the Full Paper by Anton Zalygin al.
Journal Article
Measuring Quality of DNA Sequence Data via Degradation
2021
We propose and apply a novel paradigm for characterization of genome data quality, which quantifies the effects of intentional degradation of quality. The rationale is that the higher the initial quality, the more fragile the genome and the greater the effects of degradation. We demonstrate that this phenomenon is ubiquitous, and that quantified measures of degradation can be used for multiple purposes. We focus on identifying outliers that may be problematic with respect to data quality, but might also be true anomalies or even attempts to subvert the database.
Specified Certainty Classification, with Application to Read Classification for Reference-Guided Metagenomic Assembly
2021
Specified Certainty Classification (SCC) is a new paradigm for employing classifiers whose outputs carry uncertainties, typically in the form of Bayesian posterior probabilities. By allowing the classifier output to be less precise than one of a set of atomic decisions, SCC allows all decisions to achieve a specified level of certainty, as well as provides insights into classifier behavior by examining all decisions that are possible. Our primary illustration is read classification for reference-guided genome assembly, but we demonstrate the breadth of SCC by also analyzing COVID-19 vaccination data.
Journal Article
Application of Markov Structure of Genomes to Outlier Identification and Read Classification
2021
In this paper we apply the structure of genomes as second-order Markov processes specified by the distributions of successive triplets of bases to two bioinformatics problems: identification of outliers in genome databases and read classification in metagenomics, using real coronavirus and adenovirus data.