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Effect of oxytocin on cardiovascular modulation in normal and post-traumatic stress disorder model rats
Comparative genome analyses reveal insights into the marine adaptation of a novel bacterium Pontimicrobium maritimus sp. nov., isolated from seawater
Applying multivariate generalizability theory to compose and rank the evaluation scores of college teachers’ teaching ability
Design of a novel multiepitope vaccine against glioblastoma by in silico approaches
Enhancing remote patient monitoring with AI-driven IoMT and cloud computing technologies
Response surface optimization for cellulase production from Enterococcus faecium and Stutzerimonas stutzeri isolated from Gossypium arboretum and Solanum melongena soil
Polarimetric imaging with high spatial resolution
Thermal tuning of nanocomposites for superior cadmium ion adsorption
Testing the limits of short-reads metagenomic classifications programs in wastewater treating microbial communities
Eye movement predictors of hazard response performance in train drivers under different speed conditions
Encapsulation of greenhouse gases in clathrate hydrates with insights into structure, energetics, chemical interactions, and environmental implications
Abstract The encapsulation of greenhouse gases (GHGs), such as CCl $$_4$$ , CF $$_2$$ Cl $$_2$$ , CH $$_3$$ Br, CH $$_3$$ Cl, CH $$_4$$ , CO, CO $$_2$$ , H $$_2$$ S, CH $$_3$$ F, N $$_2$$ O, NF $$_3$$ , O $$_3$$ , CF $$_4$$ , SF $$_6$$ , and SO $$_2$$ , within 5 $$^{12}$$ , 5 $$^{12}$$ 6 $$^2$$ , and 5 $$^{12}$$ 6 $$^4$$ clathrate hydrate cages is being investigated in our study using Density Functional Theory (DFT). The smaller cages introduce steric constraints, leading to bond distortions and significant vibrational blue-shifts, while larger cages offer greater flexibility, resulting in red-shifts or minimal vibrational alterations. Intermediate-sized cages provide a nuanced balance between spatial limitations and structural stabilization. In the $$5^{12}$$ cage, fewer guests exhibit red-shifts, whereas the larger $$5^{12}6^2$$ and $$5^{12}6^4$$ cages show more frequent red-shifts due to enhanced host–guest interactions. Natural Bonding Orbital (NBO) analysis reveals systematic changes in orbital contributions, occupancies, and anti-bonding interactions upon encapsulation, highlighting enhanced bond stabilization and a reduction in environmental reactivity. Atoms in Molecules (AIM) analysis further corroborates that encapsulated molecules exhibit strong bonding, remaining securely trapped and exhibiting minimal reactivity. Energy Decomposition Analysis (EDA) indicates that while smaller cages amplify interaction energies, they can also introduce substantial steric strain. In contrast, Non-Covalent Interaction (NCI) analysis highlights that the stability of hydrate cages is enhanced by stronger H-bonds and weaker van der Waals interactions as cage size increases. This underscores the potential of clathrate hydrates for encapsulating GHGs.
Efficient attention vision transformers for monocular depth estimation on resource-limited hardware
Titanium-prepared platelet-rich fibrin enhances alveolar ridge preservation: a randomized controlled clinical and radiographic study
The effect of parenteral vitamin B12 treatment on its plasma metabolomic profile and on functional biomarkers of its deficiency
Spatial niche differentiation and key driving factors of dominant benthic macroinvertebrates in Qinhuangdao City, China
Abstract Climate change and human activities have led to serious challenges and threats to the global water environment. Protecting suitable benthic niches and clarifying the drivers of niche changes can effectively regulate the intensity of human activities and cope with the impacts of climate change. This study took the sampling data of Qinhuangdao in 2023 as the basis, and used the dominance model to select dominant taxa. Then, it calculated the niche breadth and overlap of the dominant benthic macroinvertebrate using niche models. What’s more, it combined canonical correlation analysis to analyze the correlation between environmental factors and benthic macroinvertebrate density and biomass. Finally, partial correlation analysis was used to identify key driving factors. The results showed that 13 dominant taxa were selected for the dominance model, Unio douglasiae and Orthetrum coerulescens had the greatest dominance. For water quality physical metrics, all dominant taxa had the highest mean niche breadth along the conductivity gradient (2.51) and the greatest mean niche overlap along the turbidity gradient (4.82). For water chemistry indicators, the niche breadth of dominant taxa was highest along the biochemical oxygen demand gradient and lowest along the hexavalent chromium gradient. Key drivers of niche breadth and overlap spatial differentiation for dominant taxa were chemical oxygen demand for Cr (COD_Cr), biochemical oxygen demand (BOD) and water temperature (WT). High concentrations of COD-Cr and BOD can change the competition and food chain structure among benthic macroinvertebrates, thus affecting the niche breadth and overlap of benthic communities. WT has a direct impact on the physiological and ecological processes of benthic macroinvertebrates. In estuaries and sandy beaches, the key drivers of benthic niche may be organic carbon and chlorophyll α. This study provides a scientific basis for benthic conservation and ecological restoration in Qinhuangdao, and a reference and guidance for similar benthic macroinvertebrates around the globe to cope with climate change, regulate human activities, and enhance biodiversity.