A Deeper Insight into Strain for the Sila-bi[6]prismane (Si\u3csub\u3e18\u3c/sub\u3eH\u3csub\u3e12\u3c/sub\u3e) Cluster with its Endohedrally Trapped Silicon Atom, Si\u3csub\u3e19\u3c/sub\u3eH\u3csub\u3e12\u3c/sub\u3e

A new family of over-coordinated hydrogenated silicon nanoclusters with outstanding optical and mechanical properties has recently been proposed. For one member of this family, namely the highly symmetric Si19H12 nanocrystal, strain calculations have been presented with the goal to question its thermal stability and the underlying mechanism of ultrastability and electron-deficiency aromaticity. Here, the invalidity of these strain energy (SE) calculations is demonstrated mainly based on a fundamentally wrong usage of homodesmotic reactions, the miscounting of atomic bonds, and arithmetic errors. Since the article in question is entirely anchored on those erroneous SE values, all of its conclusions and predictions become without meaning. We provide evidence here that the nanocrystal in question suffers from such low levels of strain that its thermodynamical stability should be largely sufficient for device fabrication in a realistic plasma reactor. Most remarkably, the two “alternative,” irregular isomers explicitly proposed in the aforementioned article are also electron-deficient, nontetrahedral, ultrastable, and aromatic nicely underlining the universality of the ultrastability concept for nanometric hydrogenated silicon clusters. © 2015 Wiley Periodicals, Inc

Improving Object Detection in Medical Image Analysis through Multiple Expert Annotators: An Empirical Investigation

The work discusses the use of machine learning algorithms for anomaly detection in medical image analysis and how the performance of these algorithms depends on the number of annotators and the quality of labels. To address the issue of subjectivity in labeling with a single annotator, we introduce a simple and effective approach that aggregates annotations from multiple annotators with varying levels of expertise. We then aim to improve the efficiency of predictive models in abnormal detection tasks by estimating hidden labels from multiple annotations and using a re-weighted loss function to improve detection performance. Our method is evaluated on a real-world medical imaging dataset and outperforms relevant baselines that do not consider disagreements among annotators.Comment: This is a short version submitted to the Midwest Machine Learning Symposium (MMLS 2023), Chicago, IL, US

Defect-engineered metal-organic frameworks (MOF-808) towards the improved adsorptive removal of organic dyes and chromium (vi) species from water

In this work, two defective zirconium-based metal-organic frameworks (Zr-MOFs), MOF-808-OH and MOF-808-NH2, were synthesized by partially replacing the 1,3,5-benzenetricarboxylate building block with 5-hydroxyisophthalate and 5-aminoisophthalate, respectively. The structural features of the defective materials were analyzed by powder X-ray diffraction (PXRD), scanning electron microscopy (SEM), nitrogen physisorption at 77 K, and thermogravimetric analysis (TGA). Importantly, the number of defect sites determined via proton nuclear magnetic resonance (1H-NMR) analysis of the digested materials was approximately 7 mol% for MOF-808-OH and 3 mol% for MOF-808-NH2. The presence of the defect sites increased the number of acidic centers on Zr-clusters originating from missing-linker nodes which accounted for a remarkable adsorption capacity towards various anionic organic dyes and chromium (vi) species. Compared to standard MOF-808, the defect-engineered ones showed significant increments by 30-60% in trapping capacity for anionic contaminants including sunset yellow, quinoline yellow, methyl orange, and potassium dichromate, while they exhibited modest improvements by 5-15% in the removal of cationic dyes, namely malachite green and methylene blue

One-pot microwave-assisted green synthesis of amine-functionalized graphene quantum dots for high visible light photocatalytic application

Nowadays, graphene quantum dots (GQDs) have gained a huge interest in the field of visible-range photocatalysts because of their tunable band gap and stable photochemical properties. In this work, amine-functionalized GQDs (AGQDs) were successfully prepared by one-step microwave-assisted conversion of glucose, H2O2, and NH3 solution. The obtained quantum dots possess the high quality of graphene structure with the average size of 3.78 nm as well as exhibit a strong green fluorescence with a high quantum yield. Interestingly, the amine-functionalized dots perform outstanding visible-light absorption. To further investigate photocatalytic properties, a composite of AGQDs and TiO2 was then prepared by a simple mixing route. The hybrid material showed high catalytic activity of dye degradation under visible light irradiation, which indicates the key role of AGQDs in enhancing light absorption and induced electron–hole separation. The current study may open a new way for construction of effective visible light photocatalytic systems with a cost-effective, simple approach.Scopu

The Persistence Length of a Strongly Charged, Rod-like, Polyelectrolyte in the Presence of Salt

The persistence length of a single, intrinsically rigid polyelectrolyte chain, above the Manning condensation threshold is investigated theoretically in presence of added salt. Using a loop expansion method, the partition function is consistently calculated, taking into account corrections to mean-field theory. Within a mean-field approximation, the well-known results of Odijk, Skolnick and Fixman are reproduced. Beyond mean-field, it is found that density correlations between counterions and thermal fluctuations reduce the stiffness of the chain, indicating an effective attraction between monomers for highly charged chains and multivalent counterions. This attraction results in a possible mechanical instability (collapse), alluding to the phenomenon of DNA condensation. In addition, we find that more counterions condense on slightly bent conformations of the chain than predicted by the Manning model for the case of an infinite cylinder. Finally, our results are compared with previous models and experiments.Comment: 13 pages, 2 ps figure

Conformational Instability of Rodlike Polyelectrolytes due to Counterion Fluctuations

The effective elasticity of highly charged stiff polyelectrolytes is studied in the presence of counterions, with and without added salt. The rigid polymer conformations may become unstable due to an effective attraction induced by counterion density fluctuations. Instabilities at the longest, or intermediate length scales may signal collapse to globule, or necklace states, respectively. In the presence of added-salt, a generalized electrostatic persistence length is obtained, which has a nontrivial dependence on the Debye screening length. It is also found that the onset of conformational instability is a re-entrant phenomenon as a function of polyelectrolyte length for the unscreened case, and the Debye length or salt concentration for the screened case. This may be relevant in understanding the experimentally observed re-entrant condensation of DNA.Comment: 8 pages, 4 figure

The impact of ocean acidification on the functional morphology of foraminifera

This work was supported by the NERC UK Ocean Acidification Research Programme grant NE/H017445/1. WENA acknowledges NERC support (NE/G018502/1). DMP received funding from the MASTS pooling initiative (The Marine Alliance for Science and Technology for Scotland). MASTS is funded by the Scottish Funding Council (grant reference HR09011) and contributing institutions.Culturing experiments were performed on sediment samples from the Ythan Estuary, N. E. Scotland, to assess the impacts of ocean acidification on test surface ornamentation in the benthic foraminifer Haynesina germanica. Specimens were cultured for 36 weeks at either 380, 750 or 1000 ppm atmospheric CO2. Analysis of the test surface using SEM imaging reveals sensitivity of functionally important ornamentation associated with feeding to changing seawater CO2 levels. Specimens incubated at high CO2 levels displayed evidence of shell dissolution, a significant reduction and deformation of ornamentation. It is clear that these calcifying organisms are likely to be vulnerable to ocean acidification. A reduction in functionally important ornamentation could lead to a reduction in feeding efficiency with consequent impacts on this organism’s survival and fitness.Publisher PDFPeer reviewe

Alzheimer's disease-associated P460L variant of EphA1 dysregulates receptor activity and blood-brain barrier function

INTRODUCTION: Genome-wide association studies link susceptibility to late-onset Alzheimer's disease (LOAD) with EphA1. Sequencing identified a non-synonymous substitution P460L as a LOAD risk variant. Other Ephs regulate vascular permeability and immune cell recruitment. We hypothesized that P460L dysregulates EphA1 receptor activity and impacts neuroinflammation. METHODS: EphA1/P460L receptor activity was assayed in isogenic Human Embryonic Kidney (HEK) cells. Soluble EphA1/P460L (sEphA1/sP460L) reverse signaling in brain endothelial cells was assessed by T-cell recruitment and barrier function assays. RESULTS: EphA1 and P460L were expressed in HEK cells, but membrane and soluble P460L were significantly reduced. Ligand engagement induced Y781 phosphorylation of EphA1 but not P460L. sEphA1 primed brain endothelial cells for increased T-cell recruitment; however, sP460L was less effective. sEphA1 decreased the integrity of the brain endothelial barrier, while sP460L had no effect. DISCUSSION: These findings suggest that P460L alters EphA1-dependent forward and reverse signaling, which may impact blood-brain barrier function in LOAD. Highlights: EphA1-dependent reverse signaling controls recruitment of T cells by brain endothelial cells. EphA1-dependent reverse signaling remodels brain endothelial cell contacts. LOAD-associated P460L variant of EphA1 shows reduced membrane expression and reduced ligand responses. LOAD-associated P460L variant of EphA1 fails to reverse signal to brain endothelial cells.Neuroscience and Mental Health Research Institute (NMHRI), Cardiff University and Sir Geraint Evans Cardiovascular Fund, Cardiff University (grant to A.A. and A.J.R.), L.E.T. by UK Dementia Research Institute, Cardiff University, O.R.M. by School of Medicine, Cardiff University, S.S. and C.L.T. by Eli Lilly (grant to J.W. and A.A.), and C.C. by School of Cellular and Molecular Medicine, University of Bristol. The Bioflux 200 was funded by the Leukemia Research Appeal for Wales, and iBright 1500 was funded by the Ser Cymru II programme (grant CU209 to V.K. and Manon Pritch, which was partially funded by Cardiff University and the European Regional Development Fund through the Welsh Government (Grant CU209 to V.K. and Manon Pritchard)

Multimorbidity and its social determinants among older people in southern provinces, Vietnam

Background: Developing countries are poorly equipped for health issues related to ageing populations making multimorbidity challenging. As in Vietnam the focus tends to be on single conditions. Hence little is known about burden of multimorbidity. This study aimed to examine the prevalence and the determinants of multimorbidity among older people in Southern Vietnam. Methods: A cross-sectional study was conducted in two provinces of Southern Vietnam with a sample of 2400 people aged 60 years and older. The presence of chronic disease was ascertained by medical examination done by physicians at commune health stations. Information on social and demographic factors was collected using structured questionnaire. Univariate and multivariable logistic regression analyses were used to examine the factors associated with multimorbidity. Results: Nearly 40 % of older people had multimorbidity. Currently not working, and healthcare utilisation were associated with higher prevalence of multimorbidity. Living in urban areas and being literate were associated with lower prevalence of multimorbidity. Conclusion: The study found a high burden of multimorbidity among illiterate, especially those living in rural areas. This highlights the need for targeted community based programs aimed at reducing the burden of chronic disease