Anionic uranyl-peroxide U(28) nanocapsules trap cations and other anions inside, whose structures cannot be resolved by X-ray diffraction, owing to crystallographic disorder. DFT calculations enabled the complete characterization of the geometry of these complex systems and also explained the origin of the disorder. The stability of the capsules was strongly influenced by the entrapped cations. Excellent agreement between experiment and theory was also obtained for the electronic character and redox properties.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1002/chem.201200801 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Mysteries of the Collagen Triple Helix.
Matrix Biol
February 2025
Division of Nephrology, Department of Medicine, Vanderbilt University Medical Center, Nashville, TN, USA; Vanderbilt Center for Matrix Biology, Vanderbilt University Medical Center, Nashville, TN, USA; Department of Biochemistry, Vanderbilt University, Nashville, TN, USA.
The collagen triple helix is one of the structurally simplest protein motifs that still holds a lot of secrets. The Gly-X-Y repeat is a business card of collagens, where Gly is required for the tight packing of three helices into a superhelix and X and Y residues are important for stabilizing the triple helix and communicating with the world (Fig. 1).
View Article and Find Full Text PDFHolding up the mirror: The role of teacher educators and syllabi in perpetuating or disrupting inequity.
Infant Ment Health J
January 2025
Education Department, Tufts University, Medford, Massachusetts, USA.
This blended pilot-empirical and theoretical manuscript documents a reflective journey undertaken by a group of early childhood teacher educators located across different regions of the United States as they examined their course design, materials, and syllabi construction. Grounded in reflective practice, intersectionality, and critical pedagogy, their collaborative endeavor necessitated profound self-examination and recognition of oppressive structures inherent within the field and reproduced throughout course syllabi, thereby perpetuating societal inequities inside and outside the classroom context. Their iterative, evolving effort resembled a reflective consultation group, marked by continuous self-reflection, challenging assumptions, and transforming actions, vividly portrayed in their vignettes.
View Article and Find Full Text PDFImproving generalizability of drug-target binding prediction by pre-trained multi-view molecular representations.
Bioinformatics
December 2024
School of Information Science and Technology, Institute of Computational Biology, Northeast Normal University, Changchun, Jilin 130117, China.
Motivation: Most drugs start on their journey inside the body by binding the right target proteins. This is the reason that numerous efforts have been devoted to predicting the drug-target binding during drug development. However, the inherent diversity among molecular properties, coupled with limited training data availability, poses challenges to the accuracy and generalizability of these methods beyond their training domain.
View Article and Find Full Text PDFPiloting "From the Inside Out" - a toolkit addressing tuberculosis-related self-stigma.
BMC Glob Public Health
June 2024
Department of Public Health and Epidemiology, Royal College of Surgeons in Ireland (RCSI), 123 St Stephen's Green, Dublin 2, D02 YN77, Ireland.
Background: Self-stigma among people who have tuberculosis (TB) can contribute to non-adherence to medication and disengagement from care. It can manifest in feelings of worthlessness, shame, and guilt, leading to social withdrawal and disengagement from life opportunities. Self-stigma may also affect families of those who have TB, or healthcare workers who treat them.
View Article and Find Full Text PDFAdeno-associated virus serotype 2 capsids with proteolytic cuts by trypsin remain intact and potent.
Gene Ther
November 2024
Analytical Development & Operations, Novartis Pharmaceuticals, 10210 Campus Point Drive, San Diego, 92121, CA, USA.
Recombinant adeno-associated viral (AAV) vectors have emerged as prominent gene delivery vehicles for gene therapy. In the journey of an AAV vector, AAV vectors can be exposed to different proteolytic environments inside the production cells, during the cell lysis step, within the endosome, and finally inside the cell nucleus. The stability of a modified AAV serotype 2 (AAV2) capsid was evaluated via a proteolytic approach using trypsin and other proteases and both denaturing and non-denaturing analytical methods.
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!