Limits on Radio Continuum Emission from a Sample of Candidate Contracting Starless Cores

We used the NRAO Very Large Array to search for 3.6 cm continuum emission from embedded protostars in a sample of 8 nearby ``starless'' cores that show spectroscopic evidence for infalling motions in molecular emission lines. We detect a total of 13 compact sources in the eight observed fields to 5 sigma limiting flux levels of typically 0.09 mJy. None of these sources lie within 1' of the central positions of the cores, and they are all likely background objects. Based on an extrapolation of the empirical correlation between the bolometric luminosity and 3.6 cm luminosity for the youngest protostars, these null-detections place upper limits of ~0.1 L_sun (d/140pc)^2 on the luminosities of protostellar sources embedded within these cores. These limits, together with the extended nature of the inward motions inferred from molecular line mapping (Lee et al. 2001), are inconsistent with the inside-out collapse model of singular isothermal spheres and suggest a less centrally condensed phase of core evolution during the earliest stages of star formation.Comment: Accepted to the Astronomical Journal; 12 pages, 1 figur

Optical and Polarity Control of Donor–Acceptor Conformation and Their Charge-Transfer States in Thermally Activated Delayed-Fluorescence Molecules

This study reports two novel D–A–D molecules, 2,7-bis(phenothiazin-10-yl)-9,9-dimethylthioxanthene-S,S-dioxide (DPT-TXO2) and 2,7-bis(1-methylphenothiazin-10-yl)-9,9-dimethylthioxanthene-S,S-dioxide (DMePT-TXO2), where the latter differs by only a methyl group incorporated on each of the donor units. DMePT-TXO2 in solution and in solid state shows dual charge-transfer (CT) emission. The CT states come from two distinctive conformations between the D and A units. Experiments show that the emission contribution of each state can be controlled by the polarity of the environment and by the excitation energy. Also, how the different conformers can be used to control the TADF mechanism is analyzed in detail. These results are important as they give a more in-depth understanding about the relation between molecular conformation and the TADF mechanism, thereby facilitating the design of new TADF molecules

Predicting locations of cryptic pockets from single protein structures using the PocketMiner graph neural network

Cryptic pockets expand the scope of drug discovery by enabling targeting of proteins currently considered undruggable because they lack pockets in their ground state structures. However, identifying cryptic pockets is labor-intensive and slow. The ability to accurately and rapidly predict if and where cryptic pockets are likely to form from a structure would greatly accelerate the search for druggable pockets. Here, we present PocketMiner, a graph neural network trained to predict where pockets are likely to open in molecular dynamics simulations. Applying PocketMiner to single structures from a newly curated dataset of 39 experimentally confirmed cryptic pockets demonstrates that it accurately identifies cryptic pockets (ROC-AUC: 0.87) \u3e1,000-fold faster than existing methods. We apply PocketMiner across the human proteome and show that predicted pockets open in simulations, suggesting that over half of proteins thought to lack pockets based on available structures likely contain cryptic pockets, vastly expanding the potentially druggable proteome

The Ionization Fraction in Dense Molecular Gas II: Massive Cores

We present an observational and theoretical study of the ionization fraction in several massive cores located in regions that are currently forming stellar clusters. Maps of the emission from the J = 1-> O transitions of C18O, DCO+, N2H+, and H13CO+, as well as the J = 2 -> 1 and J = 3 -> 2 transitions of CS, were obtained for each core. Core densities are determined via a large velocity gradient analysis with values typically 10^5 cm^-3. With the use of observations to constrain variables in the chemical calculations we derive electron fractions for our overall sample of 5 cores directly associated with star formation and 2 apparently starless cores. The electron abundances are found to lie within a small range, -6.9 < log10(x_e) < -7.3, and are consistent with previous work. We find no difference in the amount of ionization fraction between cores with and without associated star formation activity, nor is any difference found in electron abundances between the edge and center of the emission region. Thus our models are in agreement with the standard picture of cosmic rays as the primary source of ionization for molecular ions. With the addition of previously determined electron abundances for low mass cores, and even more massive cores associated with O and B clusters, we systematically examine the ionization fraction as a function of star formation activity. This analysis demonstrates that the most massive sources stand out as having the lowest electron abundances (x_e < 10^-8).Comment: 35 pages (8 figures), using aaspp4.sty, to be published in Astrophysical Journa

Quantifying dietary vitamin K and its link to cardiovascular health: A narrative review

Cardiovascular disease is the leading cause of death and disability worldwide. Recent work suggests a link between vitamin K insufficiency and deficiency with vascular calcification, a marker of advanced atherosclerosis. Vitamin K refers to a group of fat-soluble vitamins important for blood coagulation, reducing inflammation, regulating blood calcium metabolism, as well as bone metabolism, all of which may play a role in promoting cardiovascular health. Presently, there is a lack of a comprehensive vitamin K database on individual foods, which are required to accurately calculate vitamin K1 and K2 intake for examination in epidemiological studies. This has likely contributed to ambiguity regarding the recommended daily intake of vitamin K, including whether vitamin K1 and K2 may have separate, partly overlapping functions. This review will discuss the presence of: (i) vitamin K1 and K2 in the diet; (ii) the methods of quantitating vitamin K compounds in foods; and (iii) provide an overview of the evidence for the cardiovascular health benefits of vitamin K in observational and clinical trials

Transgranular Stress Corrosion Cracking of 304L Stainless Steel Pipe Clamps in Direct Use Geothermal Water Heating Applications

Direct use geothermal heating relies on heat extracted from naturally occurring geothermal water sources to provide heating needs for commercial and residential use. The city of Boise, Idaho maintains the largest district geothermal heating system in the United States, utilizing a source of geothermal water at 80 °C. 304 Stainless steel (UNS S30400) pipe clamps are used throughout the system as repair seals and for new service connections. Occasionally unexpected fracture of the stainless steel clamps occurs with time-in-service periods as short as 1 year. A failure analysis was conducted, including visual, microstructural, compositional, and mechanical characterization, to determine the cause and source of the degradation. Cracking of the clamps was limited to localized regions with the remainder of the clamp unaffected. Branched, brittle cracks were observed in the failure region and exhibited transgranular propagation. Based on the temperature, available moisture, stress level, and type of material used it was determined that the likely cause of failure was neutral pH, dilute chloride-induced stress corrosion cracking. Based on this failure analysis, geothermal or other buried heated water systems must consider protective measures or more SCC-resistant materials to prevent susceptible conditions from developing, compared to conventional water systems, to ensure maximum lifetime performance

Tracing the Mass during Low-Mass Star Formation. II. Modelling the Submillimeter Emission from Pre-Protostellar Cores

We have modeled the emission from dust in pre-protostellar cores, including a self-consistent calculation of the temperature distribution for each input density distribution. Model density distributions include Bonnor-Ebert spheres and power laws. The Bonnor-Ebert spheres fit the data well for all three cores we have modeled. The dust temperatures decline to very low values (\Td \sim 7 K) in the centers of these cores, strongly affecting the dust emission. Compared to earlier models that assume constant dust temperatures, our models indicate higher central densities and smaller regions of relatively constant density. Indeed, for L1544, a power-law density distribution, similar to that of a singular, isothermal sphere, cannot be ruled out. For the three sources modeled herein, there seems to be a sequence of increasing central condensation, from L1512 to L1689B to L1544. The two denser cores, L1689B and L1544, have spectroscopic evidence for contraction, suggesting an evolutionary sequence for pre-protostellar cores.Comment: 22 pages, 9 figures, Ap. J. accepted, uses emulateapj5.st