Ice structures assembled from cubic water clusters of D and S symmetry.

Acta Crystallogr A Found Adv

Earth Cryosphere Institute, Tyumen Scientific Center Cryosphere SB RAS, Tyumen, 625000, Russian Federation.

Published: November 2023

The study of self-assembly processes is of key importance for fundamental science and modern technologies. Cubic water clusters of D and S symmetry show great potential as building blocks for self-assembly. The objective of this paper is to construct possible ice structures formed by hydrogen bonding of these very stable water clusters. A number of such structures are herein presented, including quasi-2D and 3D ices as well as spatial layered and tubular ices. The energetics and structure of many configurations differing in the arrangement of hydrogen atoms in hydrogen bonds have been studied. It was established that the proton disorder of all such ices is of island type. The residual entropy of these ices is equal to ln(3)/4 in dimensionless form. For layered structures formed by the stacking of multiple bilayers, the determining role of the van der Waals interactions is shown. Note that, for all considered ices, the lowest-energy configurations are formed only by clusters of D symmetry.

Download full-text PDF

Source
http://dx.doi.org/10.1107/S2053273323007428DOI Listing

Publication Analysis

Top Keywords

water clusters
12
clusters symmetry
12
ice structures
8
cubic water
8
structures formed
8
ices
5
structures assembled
4
assembled cubic
4
clusters
4
symmetry study
4

Similar Publications

Hybridization is relatively common between closely related species that share part of their distribution. Understanding its dynamics is important both for conservation purposes and to determine its role as an evolutionary mechanism. Here we have studied the case of black hakes (Merluccius polli and Merluccius senegalensis) in its contact zone.

View Article and Find Full Text PDF

Hepatocellular carcinoma (HCC) is the most common and lethal type of primary liver cancer, frequently arising from chronic liver injury and inflammation. Despite treatment advancements, HCC prognosis remains poor, emphasizing the need for effective preventive and therapeutic strategies. This study investigates the hepatoprotective and anti-tumor effects of Hongjam, a steamed freeze-dried silkworm powder, in a diethylnitrosamine (DEN) and thioacetamide (TAA)-induced HCC mouse model.

View Article and Find Full Text PDF

Single-cell RNA-sequencing (scRNA-seq) is a powerful method to comprehensively overlook gene expression profiles of individual cells in various tissues, providing fundamental datasets for classification of cell types and further functional analyses. Here we adopted scRNA-seq analysis for the zebrafish olfactory sensory neurons which respond to water-borne odorants and pheromones to elicit various behaviors crucial for survival and species preservation. Firstly, a single-cell dissociation procedure of the zebrafish olfactory rosettes was optimized by using cold-active protease, minimizing artifactual neuronal activation.

View Article and Find Full Text PDF

Antibiotics can trigger antimicrobial resistance and microbiome alterations. Reducing pathogen exposure and undernutrition can reduce infections and antibiotic use. We assess effects of water, sanitation, handwashing (WSH) and nutrition interventions on caregiver-reported antibiotic use in Bangladesh and Kenya, longitudinally measured at three timepoints among birth cohorts (ages 3-28 months) in a cluster-randomized trial.

View Article and Find Full Text PDF

The complex sorption mechanisms of carbon adsorbents for the diverse group of persistent, mobile, and potentially toxic contaminants (PMs or PMTs) present significant challenges in understanding and predicting adsorption behavior. While the development of quantitative predictive tools for adsorbent design often relies on extensive training data, there is a notable lack of experimental sorption data for PMs accompanied by detailed sorbent characterization. Rather than focusing on predictive tool development, this study aims to elucidate the underlying mechanisms of sorption by applying data analysis methods to a high-quality dataset.

View Article and Find Full Text PDF

Want 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!