Thomsonjuarez6859

The hydrogen phase diagram has several unusual features which are well reproduced by density functional calculations. selleck products Unfortunately, these calculations do not provide good physical insights into why those features occur. Here, we present a fast interatomic potential, which reproduces the molecular hydrogen phases orientationally disordered Phase I; broken-symmetry Phase II and reentrant melt curve. The H2 vibrational frequency drops at high pressure because of increased coupling between neighbouring molecules, not bond weakening. Liquid H2 is denser than coexisting close-packed solid at high pressure because the favored molecular orientation switches from quadrupole-energy-minimizing to steric-repulsion-minimizing. The latter allows molecules to get closer together, without the atoms getting closer, but cannot be achieved within in a close-packed layer due to frustration. A similar effect causes negative thermal expansion. At high pressure, rotation is hindered in Phase I, such that it cannot be regarded as a molecular rotor phase.How to design experiments that accelerate knowledge discovery on complex biological landscapes remains a tantalizing question. We present an optimal experimental design method (coined OPEX) to identify informative omics experiments using machine learning models for both experimental space exploration and model training. OPEX-guided exploration of Escherichia coli's populations exposed to biocide and antibiotic combinations lead to more accurate predictive models of gene expression with 44% less data. Analysis of the proposed experiments shows that broad exploration of the experimental space followed by fine-tuning emerges as the optimal strategy. Additionally, analysis of the experimental data reveals 29 cases of cross-stress protection and 4 cases of cross-stress vulnerability. Further validation reveals the central role of chaperones, stress response proteins and transport pumps in cross-stress exposure. This work demonstrates how active learning can be used to guide omics data collection for training predictive models, making evidence-driven decisions and accelerating knowledge discovery in life sciences.The International Ocean Discovery Programme (IODP) and its predecessors generated a treasure trove of Cenozoic climate and carbon cycle dynamics. Yet, it remains unclear how climate and carbon cycle interacted under changing geologic boundary conditions. Here, we present the carbon isotope (δ13C) megasplice, documenting deep-ocean δ13C evolution since 35 million years ago (Ma). We juxtapose the δ13C megasplice with its δ18O counterpart and determine their phase-difference on ~100-kyr eccentricity timescales. This analysis reveals that 2.4-Myr eccentricity cycles modulate the δ13C-δ18O phase relationship throughout the Oligo-Miocene (34-6 Ma), potentially through changes in continental weathering. At 6 Ma, a striking switch from in-phase to anti-phase behaviour occurs, signalling a reorganization of the climate-carbon cycle system. We hypothesize that this transition is consistent with Arctic cooling Prior to 6 Ma, low-latitude continental carbon reservoirs expanded during astronomically-forced cool spells. After 6 Ma, however, continental carbon reservoirs contract rather than expand during cold periods due to competing effects between Arctic biomes (ice, tundra, taiga). We conclude that, on geologic timescales, System Earth experienced state-dependent modes of climate-carbon cycle interaction.How are brain circuits constructed to achieve complex goals? The brains of young songbirds develop motor circuits that achieve the goal of imitating a specific tutor song to which they are exposed. Here, we set out to examine how song-generating circuits may be influenced early in song learning by a cortical region (NIf) at the interface between auditory and motor systems. Single-unit recordings reveal that, during juvenile babbling, NIf neurons burst at syllable onsets, with some neurons exhibiting selectivity for particular emerging syllable types. When juvenile birds listen to their tutor, NIf neurons are also activated at tutor syllable onsets, and are often selective for particular syllable types. We examine a simple computational model in which tutor exposure imprints the correct number of syllable patterns as ensembles in an interconnected NIf network. These ensembles are then reactivated during singing to train a set of syllable sequences in the motor network.Selenium cathodes have attracted considerable attention due to high electronic conductivity and volumetric capacity comparable to sulphur cathodes. However, practical development of lithium-selenium batteries has been hindered by the low selenium reaction activity with lithium, high volume changes and rapid capacity fading caused by the shuttle effect of polyselenides. Recently, single atom catalysts have attracted extensive interests in electrochemical energy conversion and storage because of unique electronic and structural properties, maximum atom-utilization efficiency, and outstanding catalytic performances. In this work, we developed a facile route to synthesize cobalt single atoms/nitrogen-doped hollow porous carbon (CoSA-HC). The cobalt single atoms can activate selenium reactivity and immobilize selenium and polyselenides. The as-prepared selenium-carbon (Se@CoSA-HC) cathodes deliver a high discharge capacity, a superior rate capability, and excellent cycling stability with a Coulombic efficiency of ~100%. This work could open an avenue for achieving long cycle life and high-power lithium-selenium batteries.Recognition of a start codon by the initiator aminoacyl-tRNA determines the reading frame of messenger RNA (mRNA) translation by the ribosome. In eukaryotes, the GTPase eIF5B collaborates in the correct positioning of the initiator Met-tRNAiMet on the ribosome in the later stages of translation initiation, gating entrance into elongation. Leveraging the long residence time of eIF5B on the ribosome recently identified by single-molecule fluorescence measurements, we determine the cryoEM structure of the naturally long-lived ribosome complex with eIF5B and Met-tRNAiMet immediately before transition into elongation. The structure uncovers an unexpected, eukaryotic specific and dynamic fidelity checkpoint implemented by eIF5B in concert with components of the large ribosomal subunit.