Structural Position Research Articles

ProtVar: mapping and contextualizing human missense variation.

Genomic variation can impact normal biological function in complex ways and so understanding variant effects requires a broad range of data to be coherently assimilated. Whilst the volume of human variant data and relevant annotations has increased, the corresponding increase in the breadth of participating fields, standards and versioning mean that moving between genomic, coding, protein and structure positions is increasingly complex. In turn this makes investigating variants in diverse formats and assimilating annotations from different resources challenging. ProtVar addresses these issues to facilitate the contextualization and interpretation of human missense variation with unparalleled flexibility and ease of accessibility for use by the broadest range of researchers. By precalculating all possible variants in the human proteome it offers near instantaneous mapping between all relevant data types. It also combines data and analyses from a plethora of resources to bring together genomic, protein sequence and function annotations as well as structural insights and predictions to better understand the likely effect of missense variation in humans. It is offered as an intuitive web server https://www.ebi.ac.uk/protvar where data can be explored and downloaded, and can be accessed programmatically via an API.

Proscan: a structure-based proline design web server.

The ability to control protein conformations and dynamics through structure-based design has been useful in various scenarios, including engineering of viral antigens for vaccines. One effective design strategy is the substitution of residues to proline amino acids, which due to its unique cyclic side chain can favor and rigidify key backbone conformations. To provide the community with a means to readily identify and explore proline designs for target proteins of interest, we developed the Proscan web server. Proscan provides assessment of backbone angles, energetic and deep learning-based favorability scores, and other parameters for proline substitutions at each position of an input structure, along with interactive visualization of backbone angles and candidate substitution sites on structures. It identifies known favorable proline substitutions for viral antigens, and was benchmarked against datasets of proline substitution stability effects from deep mutational scanning and thermodynamic measurements. This tool can enable researchers to identify and prioritize designs for prospective vaccine antigen targets, or other designs to favor stability of key protein conformations. Proscan is available at: https://proscan.ibbr.umd.edu.

Single-Step Control of Liquid-Liquid Crystalline Phase Separation by Depletion Gradients.

Fine-tuning nucleation and growth of colloidal liquid crystalline (LC) droplets, also known as tactoids, is highly desirable in both fundamental science and technological applications. However, the tactoid structure results from the trade-off between thermodynamics and nonequilibrium kinetics effects, and controlling liquid-liquid crystalline phase separation (LLCPS) in these systems is still a work in progress. Here, a single-step strategy is introduced to obtain a rich palette of morphologies for tactoids formed via nucleation and growth within an initially isotropic phase exposed to a gradient of depletants. The simultaneous appearance is shown of rich LC structures along the depleting potential gradient, where the position of each LC structure is correlated with the magnitude of the depleting potential. Changing the size (nanoparticles) or the nature (polymers) of the depleting agent provides additional, precise control over the resulting LC structures through a size-selective mechanism, where the depletant may be found both within and outside the LC droplets. The use of depletion gradients from depletants of varying sizes and nature offers a powerful toolbox for manipulation, templating, imaging, and understanding heterogeneous colloidal LC structures.

Intrincada construcción de identidad profesional y relaciones de poder: percepciones en docentes universitarios de Educación Física (Intricate construction of professional identity and power relations: perceptions in university Physical Education teachers)

Physical Education (PE) teachers, faced with the demands of a complex and changing society, warn that they are being placed before the educational system, as one of the main responsible for the crisis that university education is going through, events that disrupt the sense of professional identity forged during years of initial and in-service training. Aim. Understand the construction of representations of professional identity in a context of intersubjective positions of power based on interactive/reflective discourses among university PE teachers. Method. Qualitative, inductive, open coding, dynamic and interactive with support in Atlas.ti 8, for data analysis. Results. It is not possible to identify constructs-perceptions of professional identity, detached from a network, a field of very subtle arrangements and dissents that define positions, alliances, oppositions and intersubjective power relations among university PE teachers; Teachers go through tortuous experiences that prevent them from building their own identity; what exists is an attributed and pre-established identity; They associate their identity with “should be”, regulated-supervised by institutional-normative management and with ways of responding to the expectations and interests of others. Conclusion. In the current university management model, the teacher, in addition to assuming an attributed identity, linked to structural positions of dominance-subordination, experiences certain external pressures to abdicate his vocation and professional training in favor of the idea of ​​becoming a scientific and bureaucratic being. out of obligation. Institutional programs are needed to build university identity processes. Keywords: professional identity, university identity, university teaching, professional training, power relations, physical education teacher.

Citizen awakening? Exploring legal consciousness in a context of mass political mobilization

AbstractUnder what conditions will people be inclined to seek remedy when facing rights violations? While some socio-legal scholars have found structural position and/or the ideological macro-context to be the key factors shaping individuals’ legal consciousness, often inhibiting their pursuit of remedies, others contend that social experiences and political interventions, including participation in social movements, affect people’s willingness to demand redress. What happens, then, when a diffuse popular mobilization challenges a state’s fundamental normative framework and demands justice and rights for long-excluded sectors of the population? This article offers empirical and theoretical insights to these debates based on results from a nationally representative survey conducted in Chile at the height of such a mass political mobilization. In this context of widespread citizen engagement and collective claim-making, we find that participation in the protests and self-perceived knowledge of where to turn are statistically related to individuals’ professed willingness to pursue a formal remedy across two hypothetical rights violation scenarios. These findings suggest that participation in protests might have an empowerment effect on those who take part, even among disadvantaged groups, opening new avenues for research at the intersection of socio-legal and political participation studies.

High-speed mid-infrared silicon-based electro-optic modulator at 2 μm

We demonstrate the Mach-Zehnder interferometer (MZI) silicon-based electro-optic modulators in the short-wave mid-infrared 2 μm band. The waveguide structure and doping position of the devices are optimized by simulation. The devices are manufactured on a 220 nm silicon-on-insulator (SOI) platform, and are measured through self-built short-wave mid-infrared measurement platform. The device with the length of 3.5 mm has a measured modulation efficiency of 1.853 V cm at 3 V reverse bias. The highspeed characterization is also performed, and the device with the length of 3.5 mm has a data rate of over 20 Gb/s at the voltage swing of 2.8 Vpp with on-off keying (OOK) modulation formats. The modulation speed of the 2 mm device can reach over 40 Gb/s with 4-level pulse amplitude modulation (PAM-4) formats at a voltage swing of 2.5 Vpp.

Analysis of the Effect of Meteorological Elements on New Energy Power Prediction Based on Machine Learning

Background: With the gradual construction of new power systems, new energy sources, such as wind and photovoltaic power, will gradually dominate positions in the power supply structure, directly leading the new power system to rely heavily on accurate meteorological forecasts. High-precision and high-resolution meteorological forecasts are important technical methods to improve the safe, stable, and economic operation of the new power system. Objective: Since the analysis of meteorological elements is the basis of meteorological forecasting, in this paper, the effect of different meteorological elements including temperature, relative humidity, air pressure, wind speed, wind direction, and radiation on the performance of power forecasting, was analyzed by using 7 machine learning algorithms in 5 provinces in southern China. Methods: About 5 provinces in southern China were selected as the research objects, and 7 typical machine learning algorithms were applied and compared, including support vector machine (SVM), decision tree (DT), random forest (RFR), K-nearest neighbor (KNN), Linear Regression (LR), Ridge Regression (RR), and Lasso Regression (Lasso R). At the same time, the influence of different meteorological elements, such as temperature, relative humidity, air pressure, wind speed, wind direction, and radiation amount, on the prediction performance of wind power and photovoltaic power was considered. Then, the performance of different regression models was further investigated and analyzed. Results: Based on the data of 10 new energy stations in 5 regions, the research on the prediction performance of 7 machine learning methods shows that the performance of models in different regions varies greatly. Among the 10 selected new energy stations, the RFR model and KNR model have superior overall performance. Conclusion: This study shows how variable importance and prediction accuracy depend on regression methods and climatic variables, providing effective methods to assess the interdependence of meteorological variables and the importance of meteorological variables in predicting output power.

Peran Perempuan Dalam Penyelesaian Konflik Dusun Ory Pada Negeri Pelauw dengan Negeri Kariu Kabupaten Maluku Tengah

resolving the conflict berween Ory Hamlet, Pelauw State and Kariu State. This research was carried oud in Ory Hamlet, Pelauw State and Kariu State. Primary data collection techniques were carried out through interviews with a number of informant who were considered to be involved in the process of resolving the conflict between Ory Hamlet, Pelauw State and Kariu State.The results of this research show that so far in conflicts, women and children have only been considered victims, even though the informal effoots made by women have also made a positive contribution to the peacemaking process. However, in formal spaces, women’s involvement I very minimal, because they are not in strategic positions in the leadersip structure.

Power shifts in international organisations: China at the United Nations

AbstractThe People's Republic of China is central to current debates about power shifts in international organisations, but a systematic and comprehensive assessment of China‐related shifts has been missing. As Special Issue introduction, this article contributes to addressing this gap and examines whether, how and to what extent China‐related power shifts have unfolded at the United Nations (UN) over the last two decades or so. We define power shifts as changes in the ability of actors to shape others' capacities to act and outline a framework that builds on Barnett and Duvall's four power types of compulsory, institutional, structural and productive power. Drawing from Special Issue contributions, our analysis covers empirical insights from the UN's three main pillars – peace and security, development and human rights – and paints an uneven picture. Despite continuing Western dominance, China is mobilising more compulsory power means than two decades ago. Chinese attempts to enact institutional power have also increased but mostly unfold in multilateral niches and remain cautious. While China's structural power position has expanded, China‐related effects in productive power have so far remained limited and scattered. We conclude with a combined assessment of changes across power types and discuss research and policy implications.

The spatial pattern and association network of green finance development: Empirical evidence from China

AbstractGreen finance is a market‐driven approach to achieve the “double carbon” goal. However, the existing research predominantly focuses on the connotations and empowerment aspects of green finance. Notable regional disparities exist in China's financial markets and resource endowments, resulting in uneven levels of green finance development among various areas, significantly impeding the overall green transformation of the economy and society. In light of this, our paper explores the spatial patterns and association network of green finance development in China. The research findings indicate that: (1) The development of green finance in China exhibits an “east high, west low” spatial distribution pattern, with significant spatial clustering observed among neighboring provinces. The eastern region displays a “H‐H” clustering, while the western region shows an “L‐L” clustering. (2) The spatial correlation distribution of provincial green finance in China demonstrates an eastward concentration and westward dispersion trend, with strong correlation areas gradually expanding. Notably, Jiangsu, Zhejiang, Shanghai, and the Beijing‐Tianjin‐Hebei urban agglomerations lead nationally in attractiveness. (3) The external radiation capability of provincial green finance is progressively improving, with provinces such as Beijing, Hebei, Hubei, and Sichuan likely to occupy strategic structural positions, possessing greater development advantages. This study not only expands the theoretical scope of existing green finance research but also provides a practical reference for coordinating and achieving the high‐quality development of regional green finance from a practical perspective.

Revealing Dynamic Behavior in High Dielectric Poly(thiourethane)-Based Vitrimer-like Materials.

Here, we have explored covalent adaptable networks (CANs) comprising poly(thiourethane)-based systems (PTUs). The PTUs were synthesized through the combination of thiol and isocyanate monomers in stoichiometric proportions, in the presence of dibutyltin dilaurate (DBTDL) as catalyst. Dynamic mechanical analysis (DMA) provided detailed insight into the vitrimeric behavior. Through these investigations, we evaluated the viscoelastic, thermomechanical, and vitrimeric properties. Additionally, broadband dielectric spectroscopy (BDS) revealed the various relaxation processes inherent in such vitrimer-like materials. We methodically examined the evolution of each relaxation in every prepared sample to comprehend the operational mechanisms in these vitrimer-like systems. Our findings underscore that depending on the PTU formulation, the glass transition temperature (Tg) and the topology freezing transition temperature (Tv) can be effectively distinguished and studied. Considering the high dipole moment of the dynamic bonds present in these systems, there is potential for utilizing them as dielectric materials working under the concept of dipolar glass polymers. Furthermore, the reversibility exhibited by their inner chemical structures positions them as promising candidates for active layers in capacitor devices, particularly for energy-related applications, with the ability to be recyclable while maintaining almost invariant both their mechanical and dielectric properties, thus promoting the extension of the lifespan of electronic devices.

The African National Congress's factionalism and targeted killings as risks to human security in KwaZulu-Natal province.

In quest for curbing the crisis of factionalism in the ruling ANC, the article recommends that the ANC needs to re-visit its leadership selection as these killings have seemingly happened during leadership selection, which leads to ruthless competition of positions in government and party structures. Members of the ruling party need to identify themselves as one, as opposed to belonging to different factional groups within the party. Failure by the ruling party to address divisions within the organisation shall result in more fatal killings resulting from competition for positions and resources.

Acoustic Analyses of Tone Productions in Sequencing Contexts Among Cantonese-Speaking Preschool Children With and Without Childhood Apraxia of Speech.

Pitch variations (tone productions) have been reported as a measure to differentiate Cantonese-speaking children with and without childhood apraxia of speech (CAS). This study aims to examine fundamental frequency (F0) changes within syllables and the effects of syllable structure, lexical status, and syllable positions on F0 in Cantonese-speaking preschool children with and without CAS. Six children with CAS, six children with non-CAS speech sound disorder plus language disorder (S&LD), 22 children with speech sound disorder only (SSD), and 63 children with typical speech-language development (TD) performed the tone sequencing task (TST). Growth curve analysis was employed to analyze and compare the F0 values within syllables with three Cantonese tones (high level, high rising, and low falling). The analysis considered the effects of syllable structure (vowel and consonant-vowel), lexical status (word and nonword), and syllable position (initial, medial, and final) on F0, as well as comparisons within and between groups. Within each group, the effects of syllable structure and position on F0 values were found with different patterns. Between-group comparisons showed that the CAS group had reduced F0 contrasts. The CAS group could be differentiated from the control groups based on interactions of F0 with syllable structure and position, but not lexical status. The dissimilarity of F0 values detected between the CAS and SSD/TD groups was more prominent than that observed between the CAS and S&LD groups. This study demonstrated that Cantonese-speaking children with CAS had difficulty in varying F0 within syllables as compared to those without CAS, suggesting pitch variation difficulty and language-specific impairment profiles in CAS. Future investigations of objective measures for identifying Cantonese speakers with CAS and cross-linguistic investigations using growth curve analysis and the TST are suggested.

Structures of Ni-doped Bn (n = 1–13) clusters: A computational study

The structural and stability properties of Ni-doped boron clusters (NiBn with n = 1–13) are investigated by the SCG (systematic growth algorithm) method in combination with density functional theory (DFT) calculations. The results show that the Ni dopant adopt peripheral and top positions in the lowest-energy structures of NiBn clusters. Planar and quasi-planar structures are found for n = 3–6, 10 and 11 while three-dimensional for n = 7–8, 12 and 13. The NiBn clusters show slightly less binding energy compared to the pure Bn clusters. The relative stability of the clusters is rationalized through energetic parameters such as ionization potential, electron affinity, second order energy difference and HOMO–LUMO gap. The results show that NiB12 possess magic characteristics, supported by the energetic parameters and AdNDP bonding analyses.

Solar-Light-Driven Photocatalytic Oxidative Coupling of Phenol Derivatives over Bismuth-Based Porous Metal Halide Perovskites.

The selective oxidative coupling of phenol derivatives, involving carbon-carbon (C-C) and carbon-oxygen (C-O) bond formation, has emerged as a critical approach in the synthesis of natural products. However, achieving precise control over the selectivity in coupling reactions of unsubstituted phenols utilizing solar light as the driving force remains a big challenge. In this study, we report a series of porous Cs3Bi2X9 (X=Cl, Br, I) photocatalysts with tailored band gaps and compositions engineered for efficient solar-light-driven oxidative phenol coupling. Notably, p-Cs3Bi2Br9 exhibited about 73 % selectivity for C-C coupling, displaying a high formation rate of 47.3 μmol gcat -1 h-1 under solar radiation. Furthermore, this approach enables control of the site-selectivity for phenol derivatives on Cs3Bi2X9, enhancing C-C coupling. The distinctive porous structure and appropriate band-edge positions of Cs3Bi2Br9 facilitated efficient charge separation, and surface interaction/activation of phenolic hydroxyl groups, resulting in the kinetically preferred formation of C-C over C-O bond. Mechanistic insights into the reaction pathway, supported by comprehensive control experiments, unveiled the crucial role of interfacial charge transfers and Lewis acid Bi sites in stabilizing phenolic intermediates, thereby directing the regioselectivity of diradical couplings and resulting in the formation of unsymmetrical biphenols.

Theoretical Study of Carbon K‐Edge Energy‐Loss Near‐Edge Structure Spectra in the Ordered Mo2TiAlC2 MAX and Mo2TiC2 MXene

By means of density functional theory, the energy‐loss near‐edge structure (ELNES) of carbon K‐edge of Mo2TiAlC2 and corresponding MoTiC2 Mxene at orientational‐independent condition is dealt with. Compared to the MAX (M is transition metal, A is an elment from group 13–16, X is C or N) phase, the energy separations increase between the main spectral features at the C K edge of Mo2TiC2 MXene owing to the structural change and decreased bond length. The dispersions of the C K edge in both systems are similar to p‐symmetry densities of states. It is indicated that the source of the first fine structure at the C 1s edge in both phases mainly comes from the electron transfer to px + py‐like character. The other fine structures result from the transition to hybridization of pz and px + py states with the prominent contribution of px + py‐like character. Moreover, the comparison of C K‐edge ELNES spectra in three Mo‐based compounds reveals that, ongoing from Mo2TiAlC2 to Mo2TiC2 and then to Mo2C, the energy position of the fine structures is shifted to higher energies (blueshifted), due to the quantum confinement effects and the change of the chemical environment around the excited carbon.

Fracture analysis and low-temperature thermochronology of faulted Jurassic igneous rocks in the Southern Colombian Andes: Reservoir and tectonic implications

Fractured basement hydrocarbon reservoirs are widely distributed worldwide in more than 30 basins, where volcanic and plutonic rocks have produced significant quantities of oil and gas. The Upper Magdalena Valley Basin (UMVB) is a mature and productive hydrocarbon basin located in the Colombian Andes. In this basin, plutonic and volcaniclastic Jurassic rocks are thrusted on top of Cretaceous to Cenozoic sedimentary rocks, which constitute the petroleum system. Multi-scale fracture analysis together with petrography, petrophysics, and low-temperature thermochronology were conducted in and outcrop analogue of this basement to assess the structural evolution and investigate the main factors controlling the development of fracture properties in igneous basements. Thermochronological data indicate the occurrence of three exhumation events between the Early Cretaceous and Miocene, suggesting that most of the fracture networks within the Agrado-Betania hanging-wall were likely formed before hydrocarbon migration. Structural analysis has identified a fault damage zone with a width of approximately 746 m. Volcanic breccias and ash tuffs exhibit slightly higher areal fracture intensities (P21 > 30 m/m2) compared to plutonic and clastic rocks (P21 < 20 m/m2). Furthermore, the fracture networks exhibit good connectivity, with connection per branch (CB) values exceeding the 1.5 percolation threshold. Petrophysical calculations of matrix-fracture properties indicate high permeabilities (ranging from 1000mD to 10000000mD) and low porosities (<10%). The structural position and the diagenetic transformation of the volcanic rocks are the primary factors controlling fracture intensity in the igneous rocks within the Agrado-Betania fault. Results from this outcrop analogue also show that polyphasic structural histories and the burial history positively influence the quality of fractured basement reservoirs.

Study on the Effect of Bifurcation Position on Spontaneous Ignition and Shock Wave Propagation Characteristics in High-pressure Hydrogen Leakage Tubes

Hydrogen safety issues constrain the development and diffusion of hydrogen energy technologies. The current research on tube types in high-pressure hydrogen storage and transportation links is insufficient. In this paper, the spontaneous combustion law and the propagation characteristics of the shock wave in the tube after accidental leakage of high-pressure hydrogen in a bifurcated tube with a blocking structure are investigated by experimental means. By changing the relative position of the bifurcation structure, it is found that moving the bifurcation position upstream can effectively reduce the intensity of the shock wave at the nozzle of the tube, the propagation velocity of the shock wave inside the tube and the critical ignition pressure. There are three ignition possibilities in the bifurcated tube with blocking structure, and quenching can be realized in the tube under lower pressure.

Modulated illumination microscopy: Application perspectives in nuclear nanostructure analysis.

The structure of the cell nucleus of higher organisms has become a major topic of advanced light microscopy. So far, a variety of methods have been applied, including confocal laser scanning fluorescence microscopy, 4Pi, STED and localisation microscopy approaches, as well as different types of patterned illumination microscopy, modulated either laterally (in the object plane) or axially (along the optical axis). Based on our experience, we discuss here some application perspectives of Modulated Illumination Microscopy (MIM) and its combination with single-molecule localisation microscopy (SMLM). For example, spatially modulated illumination microscopy/SMI (illumination modulation along the optical axis) has been used to determine the axial extension (size) of small, optically isolated fluorescent objects between ≤ 200nm and ≥ 40nm diameter with a precision down to the few nm range; it also allows the axial positioning of such structures down to the 1nm scale; combined with laterally structured illumination/SIM, a 3D localisation precision of ≤1nm is expected using fluorescence yields typical for SMLM applications. Together with the nanosizing capability of SMI, this can be used to analyse macromolecular nuclear complexes with a resolution approaching that of cryoelectron microscopy.

Middle Jurassic to Early Cretaceous orogenesis in the Klamath Mountains Province (Northern California–southern Oregon, USA) occurred by tectonic switching: Insights from detrital zircon U-Pb geochronology of the Condrey Mountain schist

The Klamath Mountains Province of Northern California and southern Oregon, USA, consists of generally east-dipping terranes assembled via Paleozoic to Mesozoic subduction along the western margin of North America. The Klamath Mountains Province more than doubled in mass from Middle Jurassic to Early Cretaceous time, due to alternating episodes of extension (e.g., rifting and formation of the Josephine ophiolite) and shortening (e.g., Siskiyou and Nevadan events). However, the tectonic mechanisms driving this profound Mesozoic growth of the Klamath Mountains Province are poorly understood. In this paper, we show that formation of the Condrey Mountain schist (CMS) of the central Klamath Mountains Province spanned this critical time period and use the archive contained within the CMS as a key to deciphering the Mesozoic tectonics of the Klamath Mountains Province. Igneous samples from the outer CMS subunit yield U-Pb zircon ages of ca. 175–170 Ma, which reflect volcanic protolith eruptive timing. One detrital sample from the same subunit contains abundant (~54% of zircon grains analyzed) Middle Jurassic ages with Paleozoic and Proterozoic grains comprising the remainder and yields a maximum depositional age (MDA) of ca. 170 Ma. These ages, in the context of lithologic and thermochronologic relations, suggest that outer CMS protoliths accumulated in an outboard rift basin and subsequently underthrust the Klamath Mountains Province during the Late Jurassic Nevadan orogeny. Five samples of the chiefly metasedimentary inner CMS yield MDAs ranging from 160 Ma to 130 Ma, with younger ages corresponding to deeper structural levels. Such inverted age zonation is common in subduction complexes and, considering existing K-Ar ages, suggests that the inner CMS was assembled by progressive underplating over a &amp;gt;10 m.y. timespan. Despite this age zonation, age spectra derived from structurally shallow and deep portions of the inner CMS closely overlap those derived from the oldest section of the Franciscan subduction complex (South Fork Mountain schist). These relations suggest that the inner CMS is a composite of South Fork Mountain schist slices that were sequentially underplated beneath the Klamath Mountains Province. The age, inboard position, and structural position (i.e., the CMS resides directly beneath Jurassic arc assemblages with no intervening mantle) of the CMS suggest that these rocks were emplaced during one or more previously unrecognized episodes of shallow-angle subduction restricted to the Klamath Mountains Province. Furthermore, emplacement of the deepest portions of the CMS corresponds with the ca. 136 Ma termination of magmatism in the Klamath Mountains Province, which we relate to the disruption of asthenospheric flow during slab shallowing. The timing of shallow-angle subduction shortly precedes that of the westward translation of the Klamath Mountains Province relative to correlative rocks in the northern Sierra Nevada Range, which suggests that subduction dynamics were responsible for relocating the Klamath Mountains Province from the arc to the forearc. In aggregate, the above relations require at least three distinct phases of extension and/or rifting, each followed by an episode of shallow-angle underthrusting. The dynamic upper-plate deformation envisioned here is best interpreted in the context of tectonic switching, whereby slab steepening and trench retreat alternate with slab shallowing due to recurrent subduction of buoyant oceanic features.