Structural motifs of pre-nucleation clusters

Structural motifs of pre-nucleation clusters prepared in single, optically levitated supersaturated aqueous aerosol microparticles containing CaBr2 as a model system are reported. Cluster formation is identified by means of X-ray absorption in the Br K-edge regime. The salt concentration beyond the saturation point is varied by controlling the humidity in the ambient atmosphere surrounding the 15–30 μm microdroplets. This leads to the formation of metastable supersaturated liquid particles. Distinct spectral shifts in near-edge spectra as a function of salt concentration are observed, in which the energy position of the Br K-edge is red-shifted by up to 7.1 ± 0.4 eV if the dilute solution is compared to the solid. The K-edge positions of supersaturated solutions are found between these limits. The changes in electronic structure are rationalized in terms of the formation of pre- nucleation clusters. This assumption is verified by spectral simulations using first-principle density functional theory and molecular dynamics calculations, in which structural motifs are considered, explaining the experimental results. These consist of solvated CaBr2 moieties, rather than building blocks forming calcium bromide hexahydrates, the crystal system that is formed by drying aqueous CaBr2 solutions

Integration of Hi-C with short and long-read genome sequencing reveals the structure of germline rearranged genomes

Structural variants are a common cause of disease and contribute to a large extent to inter-individual variability, but their detection and interpretation remain a challenge. Here, we investigate 11 individuals with complex genomic rearrangements including germline chromothripsis by combining short- and long-read genome sequencing (GS) with Hi-C. Large-scale genomic rearrangements are identified in Hi-C interaction maps, allowing for an independent assessment of breakpoint calls derived from the GS methods, resulting in >300 genomic junctions. Based on a comprehensive breakpoint detection and Hi-C, we achieve a reconstruction of whole rearranged chromosomes. Integrating information on the three-dimensional organization of chromatin, we observe that breakpoints occur more frequently than expected in lamina-associated domains (LADs) and that a majority reshuffle topologically associating domains (TADs). By applying phased RNA-seq, we observe an enrichment of genes showing allelic imbalanced expression (AIG) within 100 kb around the breakpoints. Interestingly, the AIGs hit by a breakpoint (19/22) display both up- and downregulation, thereby suggesting different mechanisms at play, such as gene disruption and rearrangements of regulatory information. However, the majority of interpretable genes located 200 kb around a breakpoint do not show significant expression changes. Thus, there is an overall robustness in the genome towards large-scale chromosome rearrangements

Masonry compressive strength prediction using artificial neural networks

The masonry is not only included among the oldest building materials, but it is also the most widely used material due to its simple construction and low cost compared to the other modern building materials. Nevertheless, there is not yet a robust quantitative method, available in the literature, which can reliably predict its strength, based on the geometrical and mechanical characteristics of its components. This limitation is due to the highly nonlinear relation between the compressive strength of masonry and the geometrical and mechanical properties of the components of the masonry. In this paper, the application of artificial neural networks for predicting the compressive strength of masonry has been investigated. Specifically, back-propagation neural network models have been used for predicting the compressive strength of masonry prism based on experimental data available in the literature. The comparison of the derived results with the experimental findings demonstrates the ability of artificial neural networks to approximate the compressive strength of masonry walls in a reliable and robust manner.- (undefined

The geology, mineralogy, petrography, and geochemistry of the Miocene Dursunbey coal within fluvio-lacustrine deposits, Balıkesir (Western Turkey)

The Dursunbey coalfield, a typical example of coalfields in the western Anatolia, hosts a mineable coal seam (about 9.0-m coal thickness) with altered tuff layers within early Miocene fluvio-lacustrine sequences. The aim of this study is to identify peat-accumulation conditions and factors controlling the mineralogy and geochemistry of this seam. The standard coal features and petrographical, mineralogical, and elemental compositions display changes throughout the seam. Ash yields display decreasing trends towards to the upper parts of seam, while total C contents and gross calorific values are increasing. Furthermore, the coal-facies patterns evidence changes of depositional conditions and vegetation in the palaeomires. During initial stages of peat accumulation, the contribution of herbaceous peat-forming plants were more common and palaeomires were open to detrital inputs, whereas woody peat-forming were becoming predominant, and the water table was stable and high, which caused development of anoxic conditions, during late stages. Therefore, the content of detrital minerals, such as quartz and clay minerals (illite, smectite, and chlorite) increases in the lower parts of seam, while that of pyrite increases in the upper parts. In addition, the SEM-EDX data show that matrices of clay mineral aggregates are illitic in composition in the lower parts of seam, while those of smectite prevalence are more common below and above altered tuff layers. Interestingly, authigenic rhomboid K-feldspar grains are observed within smectite clay aggregates in the samples from the upper parts of seam. Framboidal pyrite grains and clusters were also commonly identified from these samples as well. This data shows that synchronous volcanic inputs were altered within a hydrologically closed system under slight acidic to neutral conditions during late syngenetic stages. The enriched elements, such as Cr, Ni, Cs, and V, display moderate to strong positive correlations with ash yields while AlO, and KO indicate an aluminosilicate affinity (clay mineral and feldspar). Considering the presence of metamorphic and ophiolitic rocks in the basement and the adjacent areas, clastic inputs into the palaeomire seems to be controlling aluminosilicate-affiliated elements. Additionally, the SEM-EDX analyses denoted that Ni and As are associated with pyrite. The Ni and As-bearing epigenetic pyrite infillings are mostly identified in coal samples below altered tuff layers; hence, As and Ni enrichments are controlled by precipitation of leached pore waters from altered tuff layers. Nevertheless, As- and Ni-bearing syngenetic pyrite grains and clusters are related with the development of anoxic conditions within palaeomires. This could also favour a Mo and U enrichment, which is another testimony for synchronous volcanic inputs altered under anoxic conditions. Overall, high detrital-input ratios from adjacent areas during initial stages of peat-accumulation in the study area controlled by enrichments of aluminosilicate affiliated elements, whereas during late stages of peat-accumulation, the development of a hydrologically closed system and redox conditions within the palaeomire caused As, Ni, Mo, and U enrichments and the formation of smectite and authigenic K-feldspars.A part of this (geological setting and sedimentological descriptions) was produced from the second author's PhD thesis, which was done under Dr. İ. Türkmen's supervision at the Department of Geological Engineering, Balıkesir University. A.I. Karayigit and R.G. Oskay performed standard coal analysis, petrographic, SEM, and mineralogical examinations; sampling collecting, field studies and sedimentary facies analysis were done by A. Bircan and İ. Türkmen; ICP-AES and ICP-MS analyses of raw coal samples were conducted by X. Querol. The manuscript was written through contributions of all authors. The authors would thank to mining companies in the study area for their support during field studies, Dr. Ebru Kavukçu (MTA, Ankara) for her helps during lab studies, and Caner Diker (Hacettepe University) for his assistance in preparing a digital-elevation-model map. Special thanks to Dr. Jim Hower, for his contributions and editing the revised version of the manuscript, and Drs. Carley Johnson and M. Sezgül Kayseri-Özer for their suggestions for improving the revised manuscript. Finally, the authors would like to thank Dr. Shifeng Dai, Editor-in-Chief of the Journal, for positive contributions and the anonymous reviewers for their comments and suggestions

The relationship between psychiatric patients' caregiver burden and anger expression styles

WOS: 000425733600054PubMed ID: 28881076Aims and objectivesTo examine the relationship between psychiatric patients' caregiver burden and anger expression styles. BackgroundIn the caregiving process, when coping with problems, caregivers may exhibit emotional and behavioural responses, which can produce distressful results. One of these responses is angry. Examining the relationship between psychiatric patients' caregiver burden and caregivers' anger expression styles is necessary for quality of care. DesignA descriptive and relational study. MethodsThe sample for study included 60 family caregivers who were stayed with patient in psychiatry clinic during the treatment of inpatient setting of a university hospital. Data for the study were collected using the Caregiver Burden Inventory and the Trait Anger and Anger Expression Scale. The analysis of variance, Mann-Whitney U test, Kruskal-Wallis and Pearson correlation analysis were used. ResultsThe caregivers' Caregiver Burden Inventory score was found to be 24.601.57. Gender, working status, level of intimacy with patient, status of whether or not caregiver was living with patient and status of whether or not caregiver experienced difficulties in providing care had a significant effect on the Caregiver Burden Inventory scale as a whole, as well as its subscales. This study found a positive relationship between caregiver burden and caregivers' anger expression styles (p<.05, p<.01). ConclusionThe total Caregiver Burden Inventory mean score of caregivers was concluded to be low, with some introductory characteristics and anger expression styles having an impact on the burden experienced by caregivers. Relevance to clinical practiceKnowing the anger expression styles of caregivers is important for reducing caregiver burden and improving quality of care