IMGT/RobustpMHC: robust training for class-I MHC peptide binding prediction.

The accurate prediction of peptide-major histocompatibility complex (MHC) class I binding probabilities is a critical endeavor in immunoinformatics, with broad implications for vaccine development and immunotherapies. While recent deep neural network based approaches have showcased promise in peptide-MHC (pMHC) prediction, they have two shortcomings: (i) they rely on hand-crafted pseudo-sequence extraction, (ii) they do not generalize well to different datasets, which limits the practicality of these approaches. While existing methods rely on a 34 amino acid pseudo-sequence, our findings uncover the involvement of 147 positions in direct interactions between MHC and peptide.

On the nature, predictors, and outcomes of work passion profiles: A generalisability study across distinct types of employees.

Thus far, little research has adopted a person-centred approach to investigate the nature of work passion profiles. As a result, our understanding of the most commonly occurring combinations of harmonious passion (HP) and obsessive passion (OP) in the workplace remains limited. To achieve a more refined understanding of the nature of these work passion profiles, our first aim was thus to identify the configurations of HP and OP for work observed among five samples, including 11 subsamples, of employees (N = 7258).

Strain-affected ferroelastic domain walls in RbMnFe charge-transfer materials undergoing collective Jahn-Teller distortion.

Many rubidium manganese hexacyanoferrate materials, with the general formula Rb Mn[Fe(CN)]·HO, exhibit diverse charge-transfer-based functionalities due to the bistability between a high temperature Mn( = 5/2)Fe( = 1/2) cubic phase and a low-temperature Mn( = 2)Fe( = 0) tetragonal phase. The collective Jahn-Teller distortion on the Mn sites is responsible for the cubic-to-tetragonal ferroelastic phase transition, which is associated with the appearance of ferroelastic domains. In this study, we use X-ray diffraction to reveal the coexistence of 3 types of ferroelastic tetragonal domains and estimate the spatial extension of the strain around the domain walls, which represents about 30% of the volume of the crystal.

Vitamin D prophylaxis in persons with epilepsy?

Limited guidelines exist regarding osteoporosis prevention in the general population. Despite being a subject of controversy, the majority of research suggests that decreased vitamin D levels correlate with increased bone turnover, that is, an important risk factor for osteoporosis development. In most guidelines, daily vitamin D supplementation is recommended.

The Characterization of Ancient Methanococcales Malate Dehydrogenases Reveals That Strong Thermal Stability Prevents Unfolding Under Intense γ-Irradiation.

Malate dehydrogenases (MalDHs) (EC.1.1.

Rethinking Assumptions: Assessing the Impact of Strong Magnetic Fields on Luminescence Thermometry.

Luminescence (nano)thermometry has exploded in popularity, offering a remote detection way to measure temperature across diverse fields like nanomedicine, microelectronics, catalysis, and plasmonics. A key advantage is its supposed immunity to strong electromagnetic fields, a crucial feature in many environments. However, this assumption lacks comprehensive experimental verification as most of the proposed luminescent thermometers rely on magnetic ions, such as lanthanides.

Chitosan based hydrogel for iron (III) chelation in biological conditions.

In this study, a chitosan derivative with strong iron (III) chelating capabilities was developed by grafting the Deferoxamine (DFO) chelator to achieve a substitution degree of 3.8 ± 0.2 %.

Attentional Refreshing in Working Memory and Its Interplay with Long-term Memory: A Behavioral and EEG Study.

Despite the growing interest in the study of attentional refreshing, the functioning of this working memory maintenance mechanism, including its cerebral underpinnings, is still debated. In particular, it remains unclear whether refreshing promotes long-term memory and whether it, in return, depends on long-term memory content to operate. Here, we used direct maintenance instructions and measured brain activity to investigate working memory maintenance with two objectives: (1) test if different behavioral and oscillatory patterns could be observed when participants were instructed to use attentional refreshing versus verbal rehearsal, and (2) observe whether and how refreshing is modulated when maintaining novel (pseudowords) versus familiar (words) memoranda.

Surprising torsional barrier reduction in the coupled methyl internal rotations of 2,3-dimethylfuran observed by microwave spectroscopy.

The microwave spectrum of 2,3-dimethylfuran was investigated using a Fourier-transform microwave spectrometer under supersonic expansion. The molecule possesses two inequivalent methyl internal rotors, causing the splitting of each rotational transition into five torsional species. A total of 337 torsional transitions were assigned and fitted in a global fit with the program XIAM, where accurate and physically meaningful geometry and internal rotation parameters could be deduced.

Luminescence Thermochromism of a Noncluster Copper Iodide Complex.

Hybrid copper(I) halide materials are currently attracting significant attention due to their exceptional luminescence properties, offering great potential for the development of multifunctional emissive materials with, in addition, eco-friendly features. A binuclear copper iodide complex, based on the [CuIL] motif with phosphite derivatives as ligands, has been synthesized and structurally characterized. Photophysical investigations indicate that this complex displays luminescence thermochromic properties, which are characterized by a temperature-dependent change in the relative intensity of two emission bands.

Ultrastructural Perspectives on the Biology and Taphonomy of Tonian Microfossils From the Draken Formation, Spitsbergen.

Silicified peritidal carbonates of the Tonian Draken Formation, Spitsbergen, contain highly diverse and well-preserved microfossil assemblages dominated by filamentous microbial mats, but also including diverse benthic and/or allochthonous (possibly planktonic) microorganisms. Here, we characterize eight morphospecies in focused ion beam (FIB) ultrathin sections using transmission electron microscopy (TEM) and X-ray absorption near-edge structure (XANES) spectromicroscopy. Raman and XANES spectroscopies show the highly aromatic molecular structure of preserved organic matter.

Reducing emotion dysregulation online in nonclinical population with compassion focused therapy and emotional competencies program: A randomized controlled trial.

Objectives: The present randomized controlled study aimed to evaluate the effects of two interventions on emotional dysregulation as a primary outcome and on depression, anxiety, stress, well-being, self-compassion and emotional competencies as secondary outcomes. Finally, the mediating role of emotional dysregulation as a core process in the effect of interventions on anxiety-depressive and stress symptoms was evaluated.

Methods: One hundred and seventy-nine individuals aged 18-68 years (M = 39, SD = 12.

Modulating magnetic anisotropy in linear tetranuclear dysprosium(III) complexes coordinated anions.

We report the synthesis, structures, and magnetic properties of two novel linear tetranuclear complexes with the general formula [Dy(Hheb)(heb)X(MeOH)] (X = NO, OAc; Hheb = ()-'-(1-(2-hydroxyphenyl)ethylidene)benzohydrazide, OAc = acetate). The rigid ligands (Hheb/heb) incorporate phenoxide groups and bridge the Dy ions in an unusual tetranuclear linear assembly. Notably, we demonstrate through magnetic measurements and theoretical calculations how the anion (X) coordinated at the peripheral Dy centers acts as a switch, significantly changing the magnetic anisotropy of the entire complex.

Individualized optimal strategy in team pursuit for track cycling.

In track cycling, performance in the team pursuit depends on the mechanical and physiological abilities of each member of the team, but also on the choice of racing strategy. Athletes must cover the 4000 m of the race, sharing the effort between them in successive relays. This raises the question of the optimum strategy.

Nickel-Catalyzed Photoredox Allenylation of Alkyl Halides.

We report a dual Ni/photoredox-catalyzed cross-coupling method for propargyl carbonates and nonactivated alkyl bromides, facilitating the synthesis of a variety of substituted allenes under mild and practical conditions. Mechanistically, the reaction integrates Ni-catalyzed activation of the propargyl electrophile via S' oxidative addition at Ni(I) with silyl radical-induced activation of the alkyl halide through halogen-atom transfer. This methodology provides a gentle approach for introducing allenyl groups into complex halogenated aliphatic molecules, offering further opportunities for derivatization.

Deciphering immunoglobulin loci in multiple genome assemblies and enrichment of IMGT resources.

Through the analysis of immunoglobulin genes at the IGH, IGK, and IGL loci from four genome assemblies, IMGT provides an in-depth overview of these loci and their individual variations in a species closely related to humans. The similarity between gorilla and human IG gene organization allowed the assignment of gorilla IG gene names based on their human counterparts. This study revealed significant findings, including variability in the IGH locus, the presence of known and new copy number variations (CNVs), and the accurate estimation of IGHG genes.

Elucidating the Dynamics of Biodegradation and Biosynthesis of Magnetic Nanoparticles in Human Stem Cells.

Iron oxide nanoparticles, due to their magnetic properties, are versatile tools for biomedical applications serving both diagnostic and therapeutic roles. Their performance is intricately intertwined with their fate in the demanding biological environment. Once inside cells, these nanoparticles can be degraded, implying a loss of magnetic efficacy, but also transformed into neo-synthesized magnetic nanoparticles, potentially restoring functionality.

Triflic Acid-Catalyzed Dehydrative Amination of 2-Arylethanols with Weak N-Nucleophiles in Hexafluoroisopropanol.

The catalytic deoxyamination of readily available 2-arylethanols offers an appealing, simple, and straightforward means of accessing β-(hetero)arylethylamines of biological interest. Yet, it currently represents a great challenge to synthetic chemistry. In most cases, the alcohol has to be either pre-activated in situ or converted into a reactive carbonyl intermediate, limiting the substrate scope for some methods.

Superconcentration for minimal surfaces in first passage percolation and disordered Ising ferromagnets.

We consider the standard first passage percolation model on with a distribution taking two values . We study the maximal flow through the cylinder between its top and bottom as well as its associated minimal surface(s). We prove that the variance of the maximal flow is superconcentrated, i.

Anion Effect in Electrochemical CO Reduction: From Spectators to Orchestrators.

The electrochemical CO reduction reaction (eCORR) offers a pathway to produce valuable chemical fuels from CO. However, its efficiency in aqueous electrolytes is hindered by the concurrent H evolution reaction (HER), which takes place at similar potentials. While the influence of cations on this process has been extensively studied, the influence of anions remains largely unexplored.

Decoding Ultramarathon: Muscle Damage as the Main Impediment to Performance.

The biological determinants of performance have been well described for running races up to and including the marathon (42.2 km). Ultramarathon is more complex.

Pharmacology and molecular modeling studies of sulfoxaflor, flupyradifurone and neonicotinoids on the human neuronal α7 nicotinic acetylcholine receptor.

We conducted electrophysiological and molecular docking studies using a heterologous expression system (Xenopus oocytes) to compare the effects of four neonicotinoids (acetamiprid, imidacloprid, clothianidin and thiamethoxam), one sulfoximine, (sulfoxaflor), and one butenolide (flupyradifurone), on human α7 neuronal nicotinic acetylcholine receptors (nAChRs). All neonicotinoids (except thiamethoxam), as well as the recently introduced nAChR competitive modulators, flupyradifurone and sulfoxaflor, appear to be weaker agonists than acetylcholine. Two mutations in loop C (E211N and E211P) and one mutation in loop D (Q79K), known to be involved in the binding properties of neonicotinoids were introduced to the α7 wild type.