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Vibronic coupling is a critical mechanism in chemical reactions. However, its quantitative evaluation is challenging due to mathematical complexity and programming difficulty, and its experimental proof is often elusive due to overlap among neighboring states. Here, after exciting a vibrational level (ν = 0, 1, 2) of the intermediate N 1 s → π g * core-excited state in N2 molecules, we separate the resonant Auger decay channels that lead to the lowest dissociation limit in the two-dimensional energy correlation maps. From three kinetic energy release spectra of these channels at different vibrational quantum numbers, we give the first experimental proof of the vibronic coupling between two resonant Auger final states 12Πg and 22Πg. [ABSTRACT FROM AUTHOR]

Methods for computing core-level ionization energies using self-consistent field (SCF) calculations are evaluated and benchmarked. These include a "full core hole" (or "ΔSCF") approach that fully accounts for orbital relaxation upon ionization, but also methods based on Slater's transition concept in which the binding energy is estimated from an orbital energy level that is obtained from a fractional-occupancy SCF calculation. A generalization that uses two different fractional-occupancy SCF calculations is also considered. The best of the Slater-type methods afford mean errors of 0.3–0.4 eV with respect to experiment for a dataset of K-shell ionization energies, a level of accuracy that is competitive with more expensive many-body techniques. An empirical shifting procedure with one adjustable parameter reduces the average error below 0.2 eV. This shifted Slater transition method is a simple and practical way to compute core-level binding energies using only initial-state Kohn–Sham eigenvalues. It requires no more computational effort than ΔSCF and may be especially useful for simulating transient x-ray experiments where core-level spectroscopy is used to probe an excited electronic state, for which the ΔSCF approach requires a tedious state-by-state calculation of the spectrum. As an example, we use Slater-type methods to model x-ray emission spectroscopy. [ABSTRACT FROM AUTHOR]

Azobenzene is a prototype and a building block of a class of molecules of extreme technological interest as molecular photo-switches. We present a joint experimental and theoretical study of its response to irradiation with light across the UV to x-ray spectrum. The study of valence and inner shell photo-ionization and excitation processes combined with measurement of valence photoelectron-photoion coincidence and mass spectra across the core thresholds provides a detailed insight into the site- and state-selected photo-induced processes. Photo-ionization and excitation measurements are interpreted via the multi-configurational restricted active space self-consistent field method corrected by second order perturbation theory. Using static modeling, we demonstrate that the carbon and nitrogen K edges of azobenzene are suitable candidates for exploring its photoinduced dynamics thanks to the transient signals appearing in background-free regions of the NEXAFS and XPS. [ABSTRACT FROM AUTHOR]

Ambient pressure x-ray photoelectron spectroscopy (APXPS) can provide a compelling platform for studying an analyte's oxidation and reduction reactions in solutions. This paper presents proof-of-principle operando measurements of a model organometallic complex, iron hexacyanide, in an aqueous solution using the dip-and-pull technique. The data demonstrates that the electrochemically active liquid meniscuses on the working electrodes can undergo controlled redox reactions which were observed using APXPS. A detailed discussion of several critical experimental considerations is included as guidance for anyone undertaking comparable experiments. [ABSTRACT FROM AUTHOR]

Photoelectron recoil strongly modifies the high kinetic energy photoemission spectra from atoms and molecules as well as from surface structures. In most cases studied so far, photoemission from atomiclike inner-shell or core orbitals has been assumed to be isotropic in the molecular frame of reference. However, in the presence of molecular field splitting of p or d orbitals, this assumption is not justified per se. We present a general theoretical treatment, linking the orientational distribution of gas-phase molecules to the electron emission and detection in a certain direction in the laboratory frame. The approach is then applied to the S 2p photoemission from a linear molecule such as CS2 and we investigate, how the predicted orientational anisotropies due to molecular field splitting affect the photoelectron recoil excitations. Lastly, experimental S 2p high-kinetic-energy photoelectron spectra of SF6 and CS2 are analyzed using the modeled recoil lineshapes representing the anisotropy-affected recoil effects. [ABSTRACT FROM AUTHOR]

An exceptional example of multiple C–H⋯π(alkyne) contacts has been discovered in the crystal packing of the syn-diastereomeric conformer of 1,2-di(7′-methoxynaphth-1′-yl)-3,6-di(4′′-n-propylphenylethynyl)benzene (syn-1). In contrast, the chiral crystal of anti-1, derived from a racemic mixture via spontaneous resolution, predominantly features conventional C–H⋯π(arene) contacts. The comprehensive analysis of the C–H⋯π contacts in the crystal packing of 1 was conducted using Hirshfeld surface, van der Waals crust, and quantum theory of atoms-in-molecules (QTAIM) methods. The electron density at the bond critical points (σBCP) along the bond path in the C–H⋯π contacts exhibits a moderate correlation with the dimensionless penetration index (pCH). This finding unveils the essentially identical characteristics of the C–H⋯π interactions, irrespective of the sp- and sp2-carbons. The C–H⋯π(alkyne) contacts are almost statistically populated within the range of pure van der Waals interactions, whereas the C–H⋯π(arene) contact exhibits a slight deviation from the criteria. The crystal structure of syn-1 exemplifies an exceptional formation of multiple C–H⋯π(alkyne) contacts, contrasting with the generally rare occurrence of C–H⋯π(alkyne) interactions. [ABSTRACT FROM AUTHOR]

Liquid-jet photoemission spectroscopy (LJ-PES) directly probes the electronic structure of solutes and solvents. It also emerges as a novel tool to explore chemical structure in aqueous solutions, yet the scope of the approach has to be examined. Here, we present a pH-dependent liquid-jet photoelectron spectroscopic investigation of ascorbic acid (vitamin C). We combine core-level photoelectron spectroscopy and ab initio calculations, allowing us to site-specifically explore the acid–base chemistry of the biomolecule. For the first time, we demonstrate the capability of the method to simultaneously assign two deprotonation sites within the molecule. We show that a large change in chemical shift appears even for atoms distant several bonds from the chemically modified group. Furthermore, we present a highly efficient and accurate computational protocol based on a single structure using the maximum-overlap method for modeling core-level photoelectron spectra in aqueous environments. This work poses a broader question: to what extent can LJ-PES complement established structural techniques such as nuclear magnetic resonance? Answering this question is highly relevant in view of the large number of incorrect molecular structures published. [ABSTRACT FROM AUTHOR]

An in-vacuum flash pyrolysis microreactor was used to seed a molecular beam with gaseous sodium chloride. The vapour was ionised with tuneable synchrotron vacuum ultraviolet radiation to determine the 0 K appearance energy of the sodium cation from sodium chloride using photoelectron photoion coincidence spectroscopy. In addition to the Na+ and NaCl+ peaks, Na2Cl+ was also observed in the mass spectrum, as a tracer for gaseous (NaCl)2. Larger clusters were not observed. The breakdown diagram showed that the monomer underwent significant collisional cooling in the molecular beam, tentatively because of the increased stagnation pressure in the reactor. It also yielded an Na+ appearance energy of E0 = 9.351 ± 0.007 eV. By the ion cycle, this leads to D0(NaCl) = 406.4 ± 0.7 kJ mol−1 and ΔfHo⦵0K(NaCl(g)) = −179.0 ± 1.0 kJ mol−1, which agree with but are better defined than the previous values. This enthalpy of formation is independent of the crystalline phase, and therefore confirms the literature sublimation enthalpy, as well. [ABSTRACT FROM AUTHOR]

Various gender biases have been demonstrated in early childhood educators (ECEs) with unintentional preferential treatment provided to boys during STEM-related play activities. These biases could impact young girls' identity formation, resulting in continued underrepresentation of women in STEM domains in future. In China, however, little research has been conducted on how ECEs perceive gender equity of STEM fields. Consequently, this study aims to close this gap by investigating the educators' perceptions on and responses to gender differences in STEM play, drawing on the cultural-historical theory and incorporating feminist perspectives. Adopting a multiple-case study approach, this study collected perceptions and experiences of six Chinese in-service ECEs regarding STEM play and gender-related issues. The participants recognized and valued children's equal involvement in STEM play, but failed to preclude ingrained gender preconceptions, leading to contradictory beliefs and performs. Meanwhile, Chinese ECEs considered prejudices from the external environment and peer influence the main obstacles to gender inclusion. Inclusive practices and emphasises are thus discussed relating to ECEs' multiple roles in supporting gender-neutral environments for STEM play. These preliminary findings shed light on attaining gender equity in STEM within the context of a feminist discourse, and provide Chinese educators, leaders and even the educational system with pioneering information. However, further research on ECEs' underlying stereotypes and teaching practices is still warranted to examine future professional development possibilities, support ECEs in reducing obstacles to girls' STEM engagement, and ultimately create a welcoming and inclusive STEM play space for girls. [ABSTRACT FROM AUTHOR]

Education plays a very important role in improving the quality of human resources. In higher education, students need learning that is innovative and not monotonous so that learning goals can be achieved. In this research, what will be discussed further is the development of learning methods by combining 2 methods, namely Cooperative Based Learning (CBL) with Problem-Based Learning (PBL) in the Advanced Financial Management course. This research method uses Pretest - Posttest Design. The data population is 711 students collected from 17 classes taking Advanced Financial Management courses at Putra Indonesia University YPTK Padang. The sampling technique uses probability sampling. The data that will be used as a sample are observations of 117 students collected from 3 classes. The CPBL method is implemented by grouping students into groups of 4-5 people to discuss each case in the material. Data will be analyzed based on the completeness of learning outcomes and calculating N-Gain. From the data processing, the results obtained were that by combining these 2 methods, it was successful in improving student learning outcomes and the students’ completeness test scores were also proven to be very successful in being upgraded. The effectiveness of the collaboration between these 2 methods reaches the high category of the N-Gain test. This is a new variation in making learning calculations that use many formulas more challenging, increasing students’ enthusiasm for learning and providing satisfactory learning results. This method is worth utilizing and can be used in all courses that involve calculations and case questions. [ABSTRACT FROM AUTHOR]

The European Commission requested the EFSA Panel on Plant Health to deliver a risk assessment on the likelihood of pest freedom from Union quarantine pests and pests subject to measures adopted pursuant to Article 30 of Regulation (EU) No 2016/2031 for the maple veneer sheets manufactured according to the process set out by Canada, with emphasis on the freedom from Davidsoniella virescens and Phytophthora ramorum (non‐EU isolates). The assessment was conducted for veneer sheets of up to 0.7 mm and up to 6 mm thickness, taking into account the different phases in the veneer production in a systems approach. Some of those phases, taken alone, including the heat treatment of logs in a water bath, the cutting into thin veneer sheets and the final high heat drying of veneer sheets are expected to be effective against some of the pests, without uncertainties, making the system approach fully effective. The panel considers that no insects would survive cutting of logs into thin veneer sheets of 0.7 mm and that Xylella fastidiosa will not survive the temperatures in the water bath and final drying of veneers. The degree of pest freedom for the different groups of organisms is generally very high with slightly lower degree of pest freedom for veneer sheets of 6 mm thickness because of lower temperatures reached in the final drying of veneer sheets compared to thinner sheets. P. ramorum is not expected to survive the high heat drying of thin veneer sheets, but it may survive the lower temperatures inside thicker veneer sheets. The Expert Knowledge Elicitation (EKE) indicated, with 95% certainty, that between 9989 and 10,000 veneer sheets (thickness 6 mm) per 10,000 will be free from living P. ramorum. For D. virescens, the EKE indicated, with 95% certainty, that between 9984 and 10,000 veneer sheets (0.7 mm) per 10,000 and that between 9954 and 10,000 veneer sheets (6 mm) per 10,000 will be free from living inoculum. For other relevant groups of pests, the greatest likelihood of pest presence was observed for wood decay fungi. The EKE indicated, with 95% certainty, that between 9967 and 10,000 veneer sheets (0.7 mm) per 10,000 and that between 9911 and 10,000 veneer sheets (6 mm) per 10,000 will be free from living wood decay fungi. [ABSTRACT FROM AUTHOR]

Introduction: Recent studies have found that there is scope for communication technologies to increase online social capital. Although studies have linked online social capital and mental well-being, there is a need to identify the causal pathways within this relationship. This study explores the role of loneliness in the relationship between computer-mediated communication, online social capital and well-being. Methods: The study used an online questionnaire and had 217 participants. William's 2006 scale was used to measure individuals' online social capital, and structural equational modelling (SEM) was used to explore the relationship between computer-mediated communication, use, levels of loneliness, online social capital and well-being. This study was conducted remotely during the first COVID-19 lockdown in Ireland. Results: High levels of online communication mitigated the otherwise negative effects of loneliness on well-being when online interaction fostered online social capital. Conclusion: Overall, the proposed model offers qualified support for the continued analysis of technology-mediated communication as a potential source for building online social capital and improving the well-being of particular individuals with high levels of loneliness. [ABSTRACT FROM AUTHOR]

Reducing fruit losses is one of the most important strategies for improving diets and strengthening food systems. Therefore, improving modern technologies for storing sweet cherries, assessing the potential of the necessary capacities and technologies for fruit storage to reduce post-harvest losses and extend the shelf life of fruits remains relevant. Improvement of pre-cooling methods optimize the shelf life of fresh fruit and contributes to the growth of demand for fruit by consumers in the European market. The object of the study is the technology of pretreatment of sweet cherry fruits using an organic composition. The fruits of the model variety Valerii Chkalov were used as experimental material. The minimum natural losses from microbiological diseases and physiological disorders were recorded on the 40th day of sweet cherry fruit storage. Fruit weight losses during storage of sweet cherries of the Valerii Chkalov variety were minimal when hydro cooling was applied in combination with a protective organic composition of lactic and acetic acid (1.75 %:2.00 %). The optimum concentration of lactic and acetic acids (2.00 %:1.75 %) was determined, which ensures minimal daily fruit losses (0.068 %) under the influence of hydro-cooling during storage of sweet cherries. The analysis of the regression model reveled the optimal value of the average level of daily losses during storage of sweet cherry fruit of Valerii Chkalov variety – 0.0642 % at concentrations of lactic and acetic acid 2.161 % to 1.705 %, respectively. The tendency to minimize sweet cherry fruit losses during storage under the influence of hydrocooling and the optimal concentration of organic acids in the protective composition was identified. The results could be used to improve pre-cooling methods in the food industry to preserve the quality of fruit raw materials in a waste-free fruit supply chain for all relevant stakeholders. [ABSTRACT FROM AUTHOR]

Acoel flatworms have played a relevant role in classical (and current) discussions on the evolutionary origin of bilaterian animals. This is mostly derived from the apparent simplicity of their body architectures. This tenet has been challenged over the last couple of decades, mostly because detailed studies of their morphology and the introduction of multiple genomic technologies have unveiled a complexity of cell types, tissular arrangements and patterning mechanisms that were hidden below this 'superficial' simplicity. One tissue that has received a particular attention has been the nervous system (NS). The combination of ultrastructural and single cell methodologies has revealed unique cellular diversity and developmental trajectories for most of their neurons and associated sensory systems. Moreover, the great diversity in NS architectures shown by different acoels offers us with a unique group of animals where to study key aspects of neurogenesis and diversification od neural systems over evolutionary time. In this review we revisit some recent developments in the characterization of the acoel nervous system structure and the regulatory mechanisms that contribute to their embryological development. We end up by suggesting some promising avenues to better understand how this tissue is organized in its finest cellular details and how to achieve a deeper knowledge of the functional roles that genes and gene networks play in its construction. [ABSTRACT FROM AUTHOR]

Integrity of wellbores and near wellbore processes are crucial issues in geological carbon storage (GCS) projects as they both define the confinement and injectivity of CO2. For the proper confinement of CO2, any flow of CO2 along the wellbore trajectory must be prevented using engineered barriers. The effect of cyclic stimuli on wellbore integrity, especially in the context of GCS projects, has been given less attention. In this study, the effect of pressure- and temperature-cycling on two types of wellbore composites (i.e., casing-cement and cement-caprock) have been investigated experimentally in small- and large-scale laboratory setups. The experiments have been carried out by measuring the effective permeability of the composites under pressure and thermal cyclic conditions. Furthermore, the permeability of individual samples (API class G and HMR+ cement and caprock) was measured and compared to the permeability of the composites. The results indicate that the permeability of API class G cement when exposed to CO2 is in the order of 10−20 m2 (10−5 mD) as a result of the chemical reaction between the cement and CO2. In addition, the tightness of the composite cement–rock has been confirmed, while the permeability of the composite casing–cement falls within the acceptable range for tight cement and the CO2 flow was identified to occur through or close to the interface casing–cement. Results from thermal cycling within the range −9 to 14 °C revealed no significant effect on the integrity of the bond casing–cement. In contrast, pressure cycling experiments showed that the effective pressure has a larger influence on the permeability. The potential creation of micro-cracks under pressure variations may require some time for complete closing. In conclusion, the pressure and temperature cycling from this study did not violate the integrity of the casing–cement composite sample as the permeability remained low and within the acceptable range for wellbore cement. [ABSTRACT FROM AUTHOR]

High-resolution carbon K-edge X-ray photoelectron, X-ray absorption, non-resonant and resonant Auger spectra are presented of gas phase trans-1,3-butadiene alongside a detailed theoretical analysis utilising nuclear ensemble approaches and vibronic models to simulate the spectroscopic observables. The resonant Auger spectra recorded across the first pre-edge band reveal a complex evolution of different electronic states which remain relatively well-localised on the edge or central carbon sites. The results demonstrate the sensitivity of the resonant Auger observables to the weighted contributions from multiple electronic states. The gradually evolving spectral features can be accurately and feasibly simulated within nuclear ensemble methods and interpreted with the population analysis. [ABSTRACT FROM AUTHOR]

In the protective engineering field, close-range explosions produce more energy and are more likely to cause severe damage to building structures than long-range explosions. In current standards, close-range explosions are defined as an explosion with a scale distance of less than 1.2 m/kg1/3. Besides, the steel plate's dynamic response is critical, especially under the blast loads generated by different shapes of explosives. For cylindrical explosives most commonly used in military and engineering, this study carried out experimental and numerical simulation studies on steel plates under the close-range air blast loads generated by different H/D cylindrical explosives (0.5≤H/D≤3.0). First, close-range air blast load tests were performed to study the failure modes of steel plates at different scale distances. The height-to-bottom diameter H/D ratio was defined as the shape factor of cylindrical explosive, and the effect of H/D on the failure deformation and dynamic response of the steel plate was quantitatively studied. Finally, the characteristics of shock waves generated by cylindrical explosives with different H/D were analyzed to determine the influence of H/D on the spatial distribution of shock waves. The results showed that with the increase of H/D , the steel plate deformation and damage gradually decreased. When the scale distance was more significant than or equal to 0.38, there was no crack in the steel plate, and the residual deflection gradually reduced with the increase of H/D. Despite the different scale distances, the residual deflections showed similar trends with increasing H/D. When the scale distance was less than or equal to 0.30, the steel plate cracked, and the crack area gradually decreased with increased H/D. [ABSTRACT FROM AUTHOR]

Immune systems are of pivotal importance to any living organism on Earth, as they protect the organism against deleterious effects of viral infections. Though the current knowledge about these systems is still biased towards the immune response in vertebrates, some studies have focused on the identification and characterization of components of invertebrate antiviral immune systems. Two classic model organisms, the insect Drosophila melanogaster and the nematode Caenorhabditis elegans, were instrumental in the discovery of several important components of the innate immune system, such as the Toll-like receptors and the RNA interference pathway. However, these two model organisms provide only a limited view of the evolutionary history of the immune system, as they both are ecdysozoan protostomes. Recent functional studies in non-classic models such as unicellular holozoans (for example, choanoflagellates), lophotrochozoans (for example, oysters) and cnidarians (for example, sea anemones) have added crucial information for understanding the evolution of antiviral systems, as they revealed unexpected ancestral complexity. This Review aims to summarize this information and present the ancestral nature of the antiviral immune response in animals. We also discuss lineage-specific adaptations and future perspectives for the comparative study of the innate immune system that are essential for understanding its evolution., (© 2023. Springer Nature Limited.)

Deuterostomes are the major division of animal life which includes sea stars, acorn worms, and humans, among a wide variety of ecologically and morphologically disparate taxa. However, their early evolution is poorly understood, due in part to their disparity, which makes identifying commonalities difficult, as well as their relatively poor early fossil record. Here, we review the available morphological, palaeontological, developmental, and molecular data to establish a framework for exploring the origins of this important and enigmatic group. Recent fossil discoveries strongly support a vermiform ancestor to the group Hemichordata, and a fusiform active swimmer as ancestor to Chordata. The diverse and anatomically bewildering variety of forms among the early echinoderms show evidence of both bilateral and radial symmetry. We consider four characteristics most critical for understanding the form and function of the last common ancestor to Deuterostomia: Hox gene expression patterns, larval morphology, the capacity for biomineralization, and the morphology of the pharyngeal region. We posit a deuterostome last common ancestor with a similar antero-posterior gene regulatory system to that found in modern acorn worms and cephalochordates, a simple planktonic larval form, which was later elaborated in the ambulacrarian lineage, the ability to secrete calcium minerals in a limited fashion, and a pharyngeal respiratory region composed of simple pores. This animal was likely to be motile in adult form, as opposed to the sessile origins that have been historically suggested. Recent debates regarding deuterostome monophyly as well as the wide array of deuterostome-affiliated problematica further suggest the possibility that those features were not only present in the last common ancestor of Deuterostomia, but potentially in the ur-bilaterian. The morphology and development of the early deuterostomes, therefore, underpin some of the most significant questions in the study of metazoan evolution., (© 2022 Cambridge Philosophical Society.)

Purpose: To compare sex differences in physiological determinants of skiing performance in elite adolescent, junior, and senior cross-country skiers matched for within-age-group performance level. Methods: Eight male and 12 female adolescent (15 [1] y), 8 male and 7 female junior (18 [1] y), and 7 male and 6 female senior (28 [5] y) skiers participated. Gross efficiency was calculated during submaximal uphill treadmill roller skiing (approximately 84% of peak oxygen uptake [ V ˙ O 2 peak ]) using the G2 ski-skating technique. Distance covered, V ˙ O 2 peak , and maximal accumulated oxygen deficit were established from a 3-minute time-trial. Fifteen-second maximal skiing power was calculated from an incremental treadmill speed test. Finally, upper- and lower-body maximal strength tests were conducted. Results: The 3-minute time-trial distance and maximal skiing power were, respectively, 23% and 15% (adolescent), 24% and 19% (junior), and 17% and 14% (senior) greater for men than women (all groups, P ≤.01, effect size [ES] = 2.43–4.18; very large). V ˙ O 2 peak relative to body mass was 17% (adolescent, P =.002, ES = 1.66, large), 21% (junior, P <.01, ES = 2.60, very large), and 19% (senior, P <.01, ES = 2.35, very large) greater for men than women. The within-age-group sex differences in gross efficiency, relative accumulated oxygen deficit, and strength were not significant, with the exception of greater lower-body strength in male than female juniors (P =.01, ES = 1.26, large). Conclusion: The within-age-group sex difference in skiing performance is of similar magnitude for adolescent, junior, and senior skiers. This difference can likely be attributed to the large to very large sex difference in V ˙ O 2 peak within all age-groups. [ABSTRACT FROM AUTHOR]

There is a growing concern within the surface science community that the massive increase in the number of XPS articles over the last few decades is accompanied by a decrease in work quality including in many cases meaningless chemical bond assignment. Should this trend continue, it would have disastrous consequences for scientific research. While there are many factors responsible for this situation, the lack of insight of physical principles combined with seeming ease of XPS operation and insufficient training are certainly the major ones. To counter that, we offer a comprehensive tutorial written in the form of a step-by-step guide starting from experimental planning, through sample selection and handling, instrument setup, data acquisition, spectra analysis, and results presentation. Six application examples highlight the broad range of research questions that can be answered by XPS. The topic selection and the discussion level are intended to be accessible for novices yet challenging possible preconceptions of experienced practitioners. The analyses of thin film samples are chosen for model cases as this is from where the bulk of XPS reports presently emanate and also where the author's key expertise lies. At the same time, the majority of discussed topics is applicable to surface science in general and is, thus, of relevance for the analyses of any type of sample and material class. The tutorial contains ca. 160 original spectra and over 290 references for further reading. Particular attention is paid to the correct workflow, development of good research practices, and solid knowledge of factors that impact the quality and reliability of the obtained information. What matters in the end is that the conclusions from the analysis can be trusted. Our aspiration is that after reading this tutorial each practitioner will be able to perform error-free data analysis and draw meaningful insights from the rich well of XPS. [ABSTRACT FROM AUTHOR]

The influence of core–hole delocalization for x-ray photoelectron, x-ray absorption, and x-ray emission spectrum calculations is investigated in detail using approaches including response theory, transition-potential methods, and ground state schemes. The question of a localized/delocalized vacancy is relevant for systems with symmetrically equivalent atoms, as well as near-degeneracies that can distribute the core orbitals over several atoms. We show that the issues relating to core–hole delocalization are present for calculations considering explicit core–hole states, e.g., when using a core-excited or core-ionized reference state or for fractional occupation numbers. As electron correlation eventually alleviates the issues, but even when using coupled-cluster single-double and perturbative triple, there is a notable discrepancy between core-ionization energies obtained with localized and delocalized core–holes (0.5 eV for the carbon K-edge). Within density functional theory, the discrepancy correlates with the exchange interaction involving the core orbitals of the same spin symmetry as the delocalized core–hole. The use of a localized core–hole allows for a reasonably good inclusion of relaxation at a lower level of theory, whereas the proper symmetry solution involving a delocalized core–hole requires higher levels of theory to account for the correlation effects involved in orbital relaxation. For linear response methods, we further show that if x-ray absorption spectra are modeled by considering symmetry-unique sets of atoms, care has to be taken such that there are no delocalizations of the core orbitals, which would otherwise introduce shifts in absolute energies and relative features. [ABSTRACT FROM AUTHOR]

This article explores the challenges and potential impacts of micro and nanoplastic particles (MNPs) on the innate immune system. MNPs, small plastic particles, are released into the environment and can interact with various species, including humans. The innate immune system, responsible for recognizing and eliminating foreign materials, plays a crucial role in responding to MNPs. The article suggests that studying the effects of MNPs on the innate immune system across different species can provide valuable insights into the mechanisms and potential impacts of MNP exposure. It emphasizes the importance of adopting an evolutionary immunology framework and proposes using in vitro and in vivo models, as well as genome-wide association studies and multiomics analyses, to understand these interactions. This research aligns with the One Health initiative and can contribute to a better understanding of the environmental and human health risks associated with MNP pollution. [Extracted from the article]

Background: Chaetognaths are a clade of marine worm-like invertebrates with a heavily debated phylogenetic position. Their nervous system superficially resembles the protostome type, however, knowledge regarding the molecular processes involved in neurogenesis is lacking. To better understand these processes, we examined the expression profiles of marker genes involved in bilaterian neurogenesis during post-embryonic stages of Spadella cephaloptera. We also investigated whether the transcription factor encoding genes involved in neural patterning are regionally expressed in a staggered fashion along the mediolateral axis of the nerve cord as it has been previously demonstrated in selected vertebrate, insect, and annelid models. Methods: The expression patterns of genes involved in neural differentiation (elav), neural patterning (foxA, nkx2.2, pax6, pax3/7, and msx), and neuronal function (ChAT and VAChT) were examined in S. cephaloptera hatchlings and early juveniles using whole-mount fluorescent in situ hybridization and confocal microscopy. Results: The Sce-elav+ profile of S. cephaloptera hatchlings reveals that, within 24 h of post-embryonic development, the developing neural territories are not limited to the regions previously ascribed to the cerebral ganglion, the ventral nerve center (VNC), and the sensory organs, but also extend to previously unreported CNS domains that likely contribute to the ventral cephalic ganglia. In general, the neural patterning genes are expressed in distinct neural subpopulations of the cerebral ganglion and the VNC in hatchlings, eventually becoming broadly expressed with reduced intensity throughout the CNS in early juveniles. Neural patterning gene expression domains are also present outside the CNS, including the digestive tract and sensory organs. ChAT and VAChT domains within the CNS are predominantly observed in specific subpopulations of the VNC territory adjacent to the ventral longitudinal muscles in hatchlings. Conclusions: The observed spatial expression domains of bilaterian neural marker gene homologs in S. cephaloptera suggest evolutionarily conserved roles in neurogenesis for these genes among bilaterians. Patterning genes expressed in distinct regions of the VNC do not show a staggered medial-to-lateral expression profile directly superimposable to other bilaterian models. Only when the VNC is conceptually laterally unfolded from the longitudinal muscle into a flat structure, an expression pattern bearing resemblance to the proposed conserved bilaterian mediolateral regionalization becomes noticeable. This finding supports the idea of an ancestral mediolateral patterning of the trunk nervous system in bilaterians. [ABSTRACT FROM AUTHOR]

An adaptive particle refinement (APR) algorithm has been developed for the smoothed particle hydrodynamics (SPH) method to augment the resolution of the region of interest to achieve high accuracy and simultaneously reduce the cost of computational resources. It is widely applied in the field of fluid-controlling problems involving large interface deformations, such as the two-phase flow and fluid–structure interaction because this algorithm can capture the interface with high accuracy. Nonetheless, existing APR algorithms widely encounter computational dispersion issues at the interface of regions of different particle resolutions. Moreover, traditional shifting algorithms applied in the APR processes also have difficulties in dealing with particles with different smooth lengths. In this work, an algorithm for fast particle generation was first developed based on the accelerated ray method, which accelerates the discretization of the flow field into particles. Then, a dynamic refinement/coarsening algorithm based on the APR algorithm is proposed to solve the computational dispersion problem that occurs at the refinement/coarsening interfaces. In addition, the shifting algorithm was improved in this work to ensure the particles are always well distributed during numerical calculations and, thus, can efficiently facilitate the adaptive particle refinement/coarsening processes. Comparative analysis indicates that the robust algorithms developed for the SPH method in this work can lead to more precise and reasonable flow fields compared with the conventional SPH adaptive methods. [ABSTRACT FROM AUTHOR]

Background: The evolution of central nervous systems (CNSs) is a fascinating and complex topic; further work is needed to understand the genetic and developmental homology between organisms with a CNS. Research into a limited number of species suggests that CNSs may be homologous across Bilateria. This hypothesis is based in part on similar functions of BMP signaling in establishing fates along the dorsal-ventral (D-V) axis, including limiting neural specification to one ectodermal region. From an evolutionary-developmental perspective, the best way to understand a system is to explore it in a wide range of organisms to create a full picture. Methods: Here, we expand our understanding of BMP signaling in Spiralia, the third major clade of bilaterians, by examining phenotypes after expression of a dominant-negative BMP Receptor 1 and after knock-down of the putative BMP antagonist Chordin-like using CRISPR/Cas9 gene editing in the annelid Capitella teleta (Pleistoannelida). Results: Ectopic expression of the dominant-negative Ct-BMPR1 did not increase CNS tissue or alter overall D-V axis formation in the trunk. Instead, we observed a unique asymmetrical phenotype: a distinct loss of left tissues, including the left eye, brain, foregut, and trunk mesoderm. Adding ectopic BMP4 early during cleavage stages reversed the dominant-negative Ct-BMPR1 phenotype, leading to a similar loss or reduction of right tissues instead. Surprisingly, a similar asymmetrical loss of left tissues was evident from CRISPR knock-down of Ct-Chordin-like but concentrated in the trunk rather than the episphere. Conclusions: Our data highlight a novel asymmetrical phenotype, giving us further insight into the complicated story of BMP's developmental role. We further solidify the hypothesis that the function of BMP signaling during the establishment of the D-V axis and CNS is fundamentally different in at least Pleistoannelida, possibly in Spiralia, and is not required for nervous system delimitation in this group. [ABSTRACT FROM AUTHOR]

In Goffman's terms, qualitative interviews are social encounters with their own realities. Hence, the 'situational critique' holds that interviews cannot produce knowledge about the world beyond these encounters, and that other methods, ethnography in particular, render lived life more accurately. The situational critique cannot be dismissed; yet interviewing remains an indispensable sociological tool. This paper demonstrates the value that situationalism holds for interviewing. We examine seemingly contradictory findings from interview studies of middle-class identity (cultural hierarchies and/or egalitarianism?). We then render these contradictions comprehensible by interpreting data excerpts through 'methodological situationalism': Goffman's theories of interaction order, ritual, and frontstage/backstage. In 'situationalist interviewing,' we suggest that sociologists be attentive to the 'imagined audiences' and 'imagined communities'. These are key to identifying the situations, interaction orders, and cultural repertoires that lie beyond the interview encounter, but to which it refers. In sum, we argue for greater situational awareness among sociologists who must rely on interviews. We also discuss techniques and measures that can facilitate situational awareness. A promise of situational interviewing is that it helps us make sense of contradictions, ambiguities, and disagreements within and between interviews. [ABSTRACT FROM AUTHOR]

Bitter rot of apple is an economically important worldwide disease caused by different Colletotrichum species, depending on many factors such as climate, geography, other hosts, and crop management practices. Culture, morphology, and single-locus sequencing-based methods for identifying the Colletotrichum species are severely limited in effectiveness, while the multilocus sequence typing methods available for delineating species are costly, time-intensive, and require high expertise. We developed species-specific hydrolysis probe real-time PCR assays for the following nine Colletotrichum species causing bitter rot in the Mid-Atlantic U.S.A.: C. fructicola, C. chrysophilum, C. noveboracense, C. gloeosporioides s.s., C. henanense, C. siamense and C. theobromicola from the C. gloeosporioides species complex, and C. fioriniae and C. nymphaeae from the C. acutatum species complex. After searching 14 gene regions, we designed primers and probes in 5 of them for the nine target species. Four primer–probe set pairs were able to be duplexed. Sensitivity tests showed as little as 0.5 pg DNA were detectable. These real-time PCR assays will provide rapid and reliable identification of these key Colletotrichum species and will be critically important for studies aiming to elucidate their biology, epidemiology, and management on apples as the number one produced and consumed tree fruit in the U.S.A. [ABSTRACT FROM AUTHOR]

Hox gene clusters are crucial in embryogenesis. It was observed that some Hox genes are located in order along the telomeric to centromeric direction of the DNA sequence: Hox1, Hox2, Hox3.... These genes are expressed in the same order in the ontogenetic units of the Drosophila embryo along the anterior–posterior axis. The two entities (genome and embryo) differ significantly in linear size and in-between distance. This strange phenomenon was named spatial collinearity (SP). Later, it was observed that, particularly in the vertebrates, a temporal collinearity (TC) coexists: first Hox1 is expressed, later Hox2, and later on Hox3.... According to a biophysical model (BM), pulling forces act at the anterior end of the cluster while a cluster fastening applies at the posterior end. Hox clusters are irreversibly elongated along the force direction. During evolution, the elongated Hox clusters are broken at variable lengths, thus split clusters may be created. An empirical rule was formulated, distinguishing development due to a complete Hox cluster from development due to split Hox clusters. BM can explain this empirical rule. In a spontaneous mutation, where the cluster fastening is dismantled, a weak pulling force automatically shifts the cluster inside the Hox activation domain. This cluster translocation can probably explain the absence of temporal collinearity in Drosophila. [ABSTRACT FROM AUTHOR]

Maternal genes have a pivotal role in regulating metazoan early development. As such their functions have been extensively studied since the dawn of developmental biology. The temporal and spatial dynamics of their transcripts have been thoroughly described in model organisms and their functions have been undergoing heavy investigations. Yet, less is known about the evolutionary changes shaping their presence within diverse oocytes. Due to their unique maternal inheritance pattern, a high degree is predicted to be present when it comes to their expression. Insofar only limited and conflicting results have emerged around it. Here, we set out to elucidate which evolutionary changes could be detected in the maternal gene expression patterns using phylogenetic comparative methods on RNAseq data from 43 species. Using normalized gene expression values and fold change information throughout early development we set out to find the best-fitting evolutionary model. Through modeling, we find evidence supporting both the high degree of divergence and constraint on gene expression values, together with their temporal dynamics. Furthermore, we find that maternal gene expression alone can be used to explain the reproductive modes of different species. Together, these results suggest a highly dynamic evolutionary landscape of maternal gene expression. We also propose a possible functional dichotomy of maternal genes which is influenced by the reproductive strategy undertaken by examined species. [ABSTRACT FROM AUTHOR]

Introduction: The remarkable diversity observed in the structure and development of the molluscan nervous system raises intriguing questions regarding the molecular mechanisms underlying neurogenesis in Mollusca. The expression of SoxB family transcription factors plays a pivotal role in neuronal development, thereby offering valuable insights into the strategies of neurogenesis. Methods: In this study, we conducted gene expression analysis focusing on SoxB-family transcription factors during early neurogenesis in the gastropod Lymnaea stagnalis. We employed a combination of hybridization chain reaction in situ hybridization (HCR-ISH), immunocytochemistry, confocal microscopy, and cell proliferation assays to investigate the spatial and temporal expression patterns of LsSoxB1 and LsSoxB2 from the gastrula stage to hatching, with particular attention to the formation of central ring ganglia. Results: Our investigation reveals that LsSoxB1 demonstrates expanded ectodermal expression from the gastrula to the hatching stage, whereas expression of LsSoxB2 in the ectoderm ceases by the veliger stage. LsSoxB1 is expressed in the ectoderm of the head, foot, and visceral complex, as well as in forming ganglia and sensory cells. Conversely, LsSoxB2 is mostly restricted to the subepithelial layer and forming ganglia cells during metamorphosis. Proliferation assays indicate a uniform distribution of dividing cells in the ectoderm across all developmental stages, suggesting the absence of distinct neurogenic zones with increased proliferation in gastropods. Discussion: Our findings reveal a spatially and temporally extended pattern of SoxB1 expression in a gastropod representative compared to other lophotrochozoan species. This prolonged and widespread expression of SoxB genes may be interpreted as a form of transcriptional neoteny, representing a preadaptation to prolonged neurogenesis. Consequently, it could contribute to the diversification of nervous systems in gastropods and lead to an increase in the complexity of the central nervous system in Mollusca. [ABSTRACT FROM AUTHOR]

Neonectria fruit rot (NFR), an apple disease caused by the fungus Neonectria ditissima, is common in Brazilian orchards, but several aspects of its epidemiology are not well elucidated. The objectives of this study were to: i) test in vitro germination of ascospores at different temperatures and wetness periods and compare with conidia germination, ii) evaluate and compare the monocyclic components of NFR caused by conidia and ascospore infection in wounded and unwounded ripe detached 'Gala' apple and iii) evaluate and compare the monocyclic components of NFR caused by conidia infection in 'Rocha' pear fruit under different temperatures. Germination of conidia and ascospores occurred in the range of 12–28 °C. At 35 °C no germination occurred, for both ascospores and conidia, regardless of the wetness period (3–60 h). With the same wetness period, conidia germination was always higher than ascospores at any temperature. For ascospores, the optimal temperature for germination ranged from 18–21 °C, lower than the estimated for conidia, which ranged from 21 to 24 °C. In wounded detached apple fruit, the incubation period varied from 35 to 49 days after ascospore inoculation, and for conidia from 14 to 42 days. When comparing the same temperatures, mean lesion growth rate was always higher for fruits inoculated with conidia than with ascospores. Unwounded fruits inoculated in the calyx-end did not present Neonectria fruit rot symptoms. The disease on 'Rocha' pear fruit has shorter incubation and latent periods than those of 'Gala' apple and higher AUDPC at 25 °C. The fast monocycle development represents a risk if the disease spread to pear orchards but also sets pear fruit as a good option for future NFR control studies. [ABSTRACT FROM AUTHOR]

Inherent to the experience of loneliness is a significant change of meaningful relatedness that (usually negatively) affects a person's relationship to self and others. This paper goes beyond a purely subjective-phenomenological description of individual suffering by emphasizing loneliness as a symptomatic expression of distortions of social recognition relations. Where there is loneliness, a recognition relation has changed. Most societies face an increase in loneliness among all groups of their population, and this sheds light on the reproduction conditions of social integration and inclusion. These functions are essential lifeworldly components of social cohesion and wellbeing. This study asks whether "social" AI promotes these societal success goals of social integration of lonely people. The increasing tendency to regard AI Companions (AICs) as reproducers of adequate recognition is critically discussed with this review. My skepticism requires further justification, especially as a large portion of sociopolitical prevention efforts aim to fight an increase of loneliness primarily with digital strategies. I will argue that AICs rather reproduce than sustainably reduce the pathodynamics of loneliness: loneliness gets simply "digitized.". [ABSTRACT FROM AUTHOR]

Apple is the most important fruit tree in West Azarbaijan province of Iran. In a survey of apple orchards, a disease with crown and collar canker and necrosis symptoms was observed in three young apple orchards in Urmia, affecting 15% and 1% of 'Red Delicious' and 'Golden Delicious' cultivars, respectively. A fungus with typical characteristics of the asexual morph of Cytospora was regularly isolated from the diseased tissues. Morphological characteristics and phylogenetic analyses inferred from the combined dataset of the ITS-rDNA, parts of LSU, tef1-α, rpb2, and act1 genes revealed that the isolates represent a new species of Cytospora, described herein as Cytospora balanejica sp. nov.. The pathogenicity of all isolates was confirmed on apple cv. 'Red Delicious' based on Koch's postulates. Also, the reaction of 12 other apple cultivars was assessed against five selected isolates with the highest virulence. The results showed that except for cv. 'Braeburn', which did not produce any symptoms of the disease, the other 11 cultivars showed characteristic disease symptoms including sunken and discolored bark and wood. The mean length of the discolored area was different among the 11 so-called susceptible cultivars, hence cvs. 'M4' and 'Golden Delicious' showed the highest and the lowest lesion length, respectively. Moreover, the aggressiveness of the five tested isolates was different, and the isolates BA 2-4 and BA 3-1 had the highest and lowest aggressiveness, respectively. Based on our observations on the potential ability of the fungus to cause disease on young and actively growing apple trees, it will be a serious threat to apple cultivation and industry. [ABSTRACT FROM AUTHOR]

Excessive use of chemicals is the outcome of the industrialization of agricultural sectors which leads to disturbance of ecological balance. Various agrochemicals are widely used in agricultural fields, urban green areas, and to protect from various pest-associated diseases. Due to their long-term health and environmental hazards, chronic toxicity assessment is crucial. Since in vivo and in vitro toxicity assessments are costly, lengthy, and require a large number of animal experiments, in silico toxicity approaches are better alternatives to save time, cost, and animal experimentation. We have developed the first regression-based 2D-QSAR models using different sub-chronic and chronic toxicity data of pesticides against dogs employing 2D descriptors. From the statistical results ($n{\rm{train}} = 53 - 62,{\rm{ }}{r^2}$ n train = 53 − 62 , r 2 = 0.614 to 0.754, $Q_{{\rm{LOO}}}^2$ Q L O O 2 = 0.501 to 0.703 and ${\rm{ }}Q_{\left({{\rm{F}}1} \right)}^2$ Q F 1 2 = 0.531 to 0.718, $Q_{\left({{\rm{F}}2} \right)}^2 = 0.523 - 0.713$ Q F 2 2 = 0.523 − 0.713), it was concluded that the models are robust, reliable, interpretable, and predictive. Similarity-based read-across algorithm was also used to improve the predictivity ($Q_{\left({{\rm{F}}1} \right)}^2 = 0.595 - 0.813, Q_{\left({{\rm{F}}2} \right)}^2 = 0.573 - 0.809$ Q F 1 2 = 0.595 − 0.813 , Q F 2 2 = 0.573 − 0.809) of the models. 5132 chemicals obtained from the CPDat and 1694 pesticides obtained from the PPDB database were also screened using the developed models, and their predictivity and reliability were checked. Thus, these models will be helpful for eco-toxicological data-gap filling, toxicity prediction of untested pesticides, and development of novel, safer & eco-friendly pesticides. [ABSTRACT FROM AUTHOR]

Schistosomiasis is one of the world's most devastating parasitic diseases, afflicting 251 million people globally. The Neotropical snail Biomphalaria glabrata is an important intermediate host of the human blood fluke Schistosoma mansoni and a predominant model for schistosomiasis research. To fully exploit this model snail for biomedical research, here we report a haplotype-like, chromosome-level assembled and annotated genome of the homozygous iM line of B. glabrata that we developed at the University of New Mexico. Using multiple sequencing platforms, including Illumina, PacBio, and Omni-C sequencing, 18 sequence contact matrices representing 18 haploid chromosomes (2n = 36) were generated (337x genome coverage), and 96.5% of the scaffold sequences were anchored to the 18 chromosomes. Protein-coding genes (n = 34,559), non-coding RNAs (n = 2,406), and repetitive elements (42.52% of the genome) were predicted for the whole genome, and detailed annotations for individual chromosomes were also provided. Using this genomic resource, we have investigated the genomic structure and organization of the Toll-like receptor (TLR) and fibrinogen-domain containing protein (FReD) genes, the two important immune-related gene families. Notably, TLR-like genes are scattered on 13 chromosomes. In contrast, almost all (39 of 40) fibrinogen-related genes (FREPs) (immunoglobulin superfamily (IgSF) + fibrinogen (FBG)) are clustered within a 5-million nucleotide region on chromosome 13, yielding insight into mechanisms involved in the diversification of FREPs. This is the first genome of schistosomiasis vector snails that has been assembled at the chromosome level, annotated, and analyzed. It serves as a valuable resource for a deeper understanding of the biology of vector snails, especially Biomphalaria snails. Author summary: We present a chromosome-level assembled and annotated genome sequence of the freshwater gastropod snail Biomphalara glabrata, offering a comprehensive genomic view of the structure and organization of two crucial immune-related gene families: the Toll-like receptor (TLR) and fibrinogen-domain containing protein (FReD) genes. B. glabrata is an important intermediate host of schistosomiasis, a parasitic disease afflicting more than 251 million people worldwide. In addition to offering insight into the diversification of fibrinogen-related protein (FREP) genes, the high-quality genome assembly of the model vector snail B. glabrata provided by this study will enhance our understanding of fundamental biological processes at the molecular level and accelerate snail-based research of schistosomiasis. [ABSTRACT FROM AUTHOR]

Introduction: The endocannabinoid (eCB) system is named after the discovery that endogenous cannabinoids bind to the same receptors as the phytochemical compounds found in Cannabis. While endogenous cannabinoids include anandamide (AEA) and 2-arachidonoylglycerol (2-AG), exogenous phytocannabinoids include Δ-9 tetrahydrocannabinol (THC) and cannabidiol (CBD). These compounds finely tune neurotransmission following synapse activation, via retrograde signaling that activates cannabinoid receptor 1 (CB1R) and/or transient receptor potential cation channel subfamily V member 1 (TRPV1). Recently, the eCB system has been linked to several neurological diseases, such as neuro-ocular abnormalities, pain insensitivity, migraine, epilepsy, addiction and neurodevelopmental disorders. In the current study, we aim to: (i) highlight a potential link between the eCB system and neurological disorders, (ii) assess if THC exposure alters the expression of eCB-related genes, and (iii) identify evolutionary-conserved residues in CB1R or TRPV1 in light of their function. Methods: To address this, we used several bioinformatic approaches, such as transcriptomic (Gene Expression Omnibus), protein--protein (STRING), phylogenic (BLASTP, MEGA) and structural (Phyre2, AutoDock, Vina, PyMol) analyzes. Results: Using RNA sequencing datasets, we did not observe any dysregulation of eCB-related transcripts in major depressive disorders, bipolar disorder or schizophrenia in the anterior cingulate cortex, nucleus accumbens or dorsolateral striatum. Following in vivo THC exposure in adolescent mice, GPR55 was significantly upregulated in neurons from the ventral tegmental area, while other transcripts involved in the eCB system were not affected by THC exposure. Our results also suggest that THC likely induces neuroinflammation following in vitro application on mice microglia. Significant downregulation of TPRV1 occurred in the hippocampi of mice in which a model of temporal lobe epilepsy was induced, confirming previous observations. In addition, several transcriptomic dysregulations were observed in neurons of both epileptic mice and humans, which included transcripts involved in neuronal death. When scanning known interactions for transcripts involved in the eCB system (n = 13), we observed branching between the eCB system and neurophysiology, including proteins involved in the dopaminergic system. Our protein phylogenic analyzes revealed that CB1R forms a clade with CB2R, which is distinct from related paralogues such as sphingosine-1-phosphate, receptors, lysophosphatidic acid receptors and melanocortin receptors. As expected, several conserved residues were identified, which are crucial for CB1R receptor function. The anandamidebinding pocket seems to have appeared later in evolution. Similar results were observed for TRPV1, with conserved residues involved in receptor activation. Conclusion: The current study found that GPR55 is upregulated in neurons following THC exposure, while TRPV1 is downregulated in temporal lobe epilepsy. Caution is advised when interpreting the present results, as we have employed secondary analyzes. Common ancestors for CB1R and TRPV1 diverged from jawless vertebrates during the late Ordovician, 450 million years ago. Conserved residues are identified, which mediate crucial receptor functions. [ABSTRACT FROM AUTHOR]

1,2,4-Triazoline-3,5-diones (TADs) are versatile reagents and have found widespread adoption in chemical science. Despite their remarkable reactivity toward a wide array of unsaturated hydrocarbons, the chemical reaction between TADs and alkynes has remained largely unexplored. Herein, we demonstrate that 1,1,1,3,3,3-hexafluoro-2-propanol facilitates the unusual [3+2] cycloaddition between 4-phenyl-1,2,4-triazoline-3,5-dione and alkynes, resulting in the formation of unprecedented mesoionic triazolones. Moreover, the structural properties of the resulting triazolone have been investigated by employing X-ray diffraction analysis and Density Functional Theory (DFT) calculations. [ABSTRACT FROM AUTHOR]

Purpose: The Singapore construction sector is promoting performance improvement by implementing collaborative contracting (CC). For CC's successful implementation, there is a need to sieve out the critical success factors (CSFs). Hence, this paper aims to explore factors influencing the adoption of CC and investigate the potential performance improvement by implementing CC. Design/methodology/approach: Based on the literature review, 23 CSFs were identified and packaged to a questionnaire to evaluate the CSF's priority as well as CC's potential impact on the project performance. After prior validation, 165 potential respondents were drawn from survey list by using simple random sampling. Finally, 31 valid responses were received. Findings: The survey result showed that the top five CSFs are mutual trust, all parties to commit fully, openness between parties, commitment to a win–win attitude and resource availability. The majority of respondents hold that CC implementation would improve overall project performance, decision effectiveness, cost, time, quality and risk performance. Research limitations/implications: Directors, project managers, contractor managers and site engineers have different perceptions of CSFs. Also rather than meeting the same requirements in the implementation of CC, there are differences among projects with different values. Originality/value: This study provides an in-depth understanding of the CSFs for industry practitioners adopting CC and CC's potential impact on project performance. This study is also helpful for authorities to formulate effective policies to push the implementation of CC. [ABSTRACT FROM AUTHOR]

The maximal number of repetitions that can be completed at various percentages of the one repetition maximum (1RM) [REPS ~ %1RM relationship] is foundational knowledge in resistance exercise programming. The current REPS ~ %1RM relationship is based on few studies and has not incorporated uncertainty into estimations or accounted for between-individuals variation. Therefore, we conducted a meta-regression to estimate the mean and between-individuals standard deviation of the number of repetitions that can be completed at various percentages of 1RM. We also explored if the REPS ~ %1RM relationship is moderated by sex, age, training status, and/or exercise. A total of 952 repetitions-to-failure tests, completed by 7289 individuals in 452 groups from 269 studies, were identified. Study groups were predominantly male (66%), healthy (97%), < 59 years of age (92%), and resistance trained (60%). The bench press (42%) and leg press (14%) were the most commonly studied exercises. The REPS ~ %1RM relationship for mean repetitions and standard deviation of repetitions were best described using natural cubic splines and a linear model, respectively, with mean and standard deviation for repetitions decreasing with increasing %1RM. More repetitions were evident in the leg press than bench press across the loading spectrum, thus separate REPS ~ %1RM tables were developed for these two exercises. Analysis of moderators suggested little influences of sex, age, or training status on the REPS ~ %1RM relationship, thus the general main model REPS ~ %1RM table can be applied to all individuals and to all exercises other than the bench press and leg press. More data are needed to develop REPS ~ %1RM tables for other exercises. [ABSTRACT FROM AUTHOR]

Polybutylene terephthalate (PBT) has a strong resistance to abrasion, deformation, and chemical resistance. However, how to further improve the impact toughness of PBT is still an issue that receives the attention of many researchers. This investigation aims to enhance its mechanical properties by mixing it with polypropylene (PP). The tensile strength, impact strength, flexural strength, and microstructure are accorded to ASTM D638, ASTM D256, and ASTM D790. In this analysis, PP was mixed with PBT with different ratios of 95/5, 90/10, 85/15, 80/20, and 75/25. Use injection molding technique to mold specimens for mechanical testing. The results show that the impact strength is 3.7, 6.6, 5.63, 5.2, 5.1, and 4.9 kJ/m2, corresponding to 0, 5, 10, 15, 20, and 25% PP. The impact strength of PBT/PP blends is higher than neat PBT. Especially in the 5% PP sample, the impact strength increase can reach the highest level of 80.3% compared to neat PBT. The flexural strength tends to decrease with increasing PP content. After measuring, we get 77.9, 65.6, 62.2, 58.4, 58.2, and 54.0 MPa, corresponding to 0, 5, 10, 15, 20, and 25% PP. The microstructure of the blends showed that spherical PP particles were interwoven into the PBT substrate, but no interphase adhesion was observed. In general, selecting a suitable PBT/PP blend could improve the impact strength while preserving the tensile strength, allowing it to be applied widely. [ABSTRACT FROM AUTHOR]

Recently, Buan and Marsh showed that if two complete τ -exceptional sequences agree in all but at most one term, then they must agree everywhere, provided the algebra is τ -tilting finite. They conjectured that the result holds without that assumption. We prove their conjecture. Along the way, we also show that the dimension vectors of the modules in a τ -exceptional sequence are linearly independent. [ABSTRACT FROM AUTHOR]

Background: The cultivation of stone fruits is of primary importance in Armenia. Their fruits contain antioxidants, fiber, potassium, vitamin A, C, E, minerals, etc., which have a beneficial effect on human health and prevent many diseases. The concentration of those components varies depending on ecological factors, cultivar, rootstock, cultural practices, etc. Clonal rootstocks are important for increasing orchard density, tree uniformity, and high yields, and they can also affect fruit quality. In vitro culture is a valuable method for rapid propagation of high-quality, virus free plant material. Objective: The purpose of this study was to develop in vitro production technology for the stone-fruit rootstock cultivar 'Evrica 99', and to determine if rootstocks affect some fresh fruit traits of 'Yerevani' and 'Sateni' apricot cultivars. Methods: The shoot apical meristem and lateral bud served as explants for shoot regeneration. Different sterilizing agents at various periods of exposure were used for the explant surface sterilization. Various concentrations of phytohormones, both individually and in combinations, were employed for in vitro regeneration and rooting of plants. The titratable acidity (TA), dry matter (DM), vitamin C, mineral content, total carotenoids (TC), and sugar contents were evaluated in fresh fruit. Results: The most optimal option for explant surface sterilization was the gradual application of calcium hypochlorite [Ca (ClO)2] (2.0% solution, exposure time 10 min) and ethanol (70% solution, exposure time 20 s), as a result of which we had 75.5% survival rate of explants. The efficient medium for in vitro shoot regeneration was MS supplemented with 6-Benzylaminopurine (BAP) 0.8 mg/l, Kinetin (Kin) 0.2 mg/l, and Gibberellic acid (GA3) 1.0 mg/l. The half-strength Murashige and Skoog (MS) medium containing 0.8 mg/l indole-3-butyric acid (IBA) was optimal for in vitro rooting. Rooted plants were successfully adapted with a survival rate of 85.0%. The defined method can be successfully used for 'Evrica 99' cultivar micropropagation. The results obtained showed that fruit quality strongly depended on both the varieties and the rootstock tested. Conclusion: In the current study, an alternative in vitro propagation technology for rootstock cultivar 'Evrica 99' was developed by direct organogenesis, enabling mass-scale production of virus-free plants that is suitable for commercial purposes as well. The apricot cultivars 'Yerevani' and 'Sateni' grafted on the virus-free rootstock cultivar 'Evrica 99' showed higher fruit quality traits, which are essential for human health and diet. [ABSTRACT FROM AUTHOR]

The end‐Neoproterozoic transition marked a gradual but permanent shift between distinct configurations of Earth's biosphere. This interval witnessed the demise of the enigmatic Ediacaran Biota, ushering in the structured trophic webs and disparate animal body plans of Phanerozoic ecosystems. However, little consensus exists on the reality, drivers, and macroevolutionary implications of end‐Neoproterozoic extinctions. Here we evaluate potential drivers of late‐Neoproterozoic turnover by addressing recent findings on Ediacaran geochronology, the persistence of classical Ediacaran macrobionts into the Cambrian, and the existence of Ediacaran crown‐group eumetazoans. Despite renewed interest in the possibility of Phanerozoic‐style 'mass extinctions' in the latest Neoproterozoic, our synthesis of the available evidence does not support extinction models based on episodic geochemical triggers, nor does it validate simple ecological interpretations centred on direct competitive displacement. Instead, we argue that the protracted and indirect effects of early bilaterian innovations, including escalations in sediment engineering, predation, and the largely understudied impacts of reef‐building, may best account for the temporal structure and possible selectivity of late‐Neoproterozoic extinctions. We integrate these processes into a generalised model of early eumetazoan‐dominated ecologies, charting the disruption of spatial and temporal isotropy on the Ediacaran benthos as a consequence of diversifying macrofaunal interactions. Given the nature of resource distribution in Ediacaran ecologies, the continuities among Ediacaran and Cambrian faunas, and the convergent origins of ecologically disruptive innovations among bilaterians we suggest that the rise of Phanerozoic‐type biotas may have been unstoppable. [ABSTRACT FROM AUTHOR]