Unc-51 like kinase 3 (ULK3) contributes to autophagy and cell survival in multiple myeloma
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Tauro, Marilena↗
Engineering topics
Yang, Yan
Publications and source records attributed to Yang, Yan.
Ultrafast Electron–Dipole Interactions in TeO- Photodetachment
We present direct experimental evidence of ultrafast coupling between ejected electrons and dynamically forming dipole moments in TeO, captured during the photodetachment of TeO?. By combining high-resolution cryogenic photoelectron spectroscopy with velocity-map imaging, we assess previously inaccessible excited states and resolve rich photoelectron angular distributions (PADs) that encode electron–dipole interactions. Systematic comparison of PADs from femtosecond and picosecond lasers reveals striking deviations from free-electron behavior, representing direct evidence of a transient dipole moment evolving on femtosecond timescales. Quantitative analysis pinpoints the dipole buildup time to be within ~60 fs, providing real-time access to the birth of a molecular dipole field. This work establishes a general approach to probing electron-dipole interactions in their formation stages, offering fundamental insights into the ultrafast interplay between departing electrons and transient polar systems — a process that lies at the core of atomic, molecular, and ultrafast physics.
Yang, Fan↗
Cryogenic Photoelectron Spectroscopic and Theoretical Study of the Electronic and Geometric Structures of Undercoordinated Osmium Chloride Anions OsCl n – ( n = 3–5)
A series of anionic transition metal halides OsCl n - (n=3–5) have been investigated using a newly developed, home-constructed, cryogenic anion cluster photoelectron spectroscopy. Here, the target anionic species are generated through collision-induced dissociation in a two-stage ion funnel. The measured vertical detachment energies (VDEs) are 3.48 eV, 4.54 eV, and 4.81 eV for n = 3, 4, and 5, respectively. Density functional theory calculations at the B3LYP-D3(BJ)//aug-cc-pVTZ (-pp) level predict the lowest energy structures of OsCl n - (n = 3–5) to be a quintet triangle, quartet square, and quintet square-based pyramid, respectively. The CCSD(T)-calculated VDEs and corresponding adiabatic detachment energies (ADEs) agree well with our experimental measurements. Analysis of the corresponding frontier molecular orbitals (FMOs) and charge density differences suggests that the d-orbitals of the transition metal Os play a primary role in the single-photon detachment processes, and the detached electrons originating from different molecular orbitals are distinguishable.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Observation of a super-tetrahedral cluster of acetonitrile-solvated dodecaborate dianion via dihydrogen bonding
We launched a combined negative ion photoelectron spectroscopy and multiscale theoretical investigation on the geometric and electronic structures of a series of acetonitrile-solvated dodecaborate clusters, i.e., B 12 H 12 2- ·nCH 3 CN (n = 1–4). The electron binding energies of B 12 H 12 2- ·nCH 3 CN are observed to increase with cluster size, suggesting their enhanced electronic stability. B3LYP-D3(BJ)/ma-def2-TZVP geometry optimizations indicate each acetonitrile molecule binds to B 12 H 12 2- via a threefold dihydrogen bond (DHB) B3–H3 ⋮⋮⋮ H3C–CN unit, in which three adjacent nucleophilic H atoms in B 12 H 12 2- interact with the three methyl hydrogens of acetonitrile. The structural evolution from n = 1 to 4 can be rationalized by the surface charge redistributions through the restrained electrostatic potential analysis. Notably, a super-tetrahedral cluster of B 12 H 12 2- solvated by four acetonitrile molecules with 12 DHBs is observed. The post-Hartree–Fock domain-based local pair natural orbital- coupled cluster singles, doubles, and perturbative triples [DLPNO-CCSD(T)] calculated vertical detachment energies agree well with the experimental measurements, confirming the identified isomers as the most stable ones. Furthermore, the nature and strength of the intermolecular interactions between B 12 H 12 2- and CH 3 CN are revealed by the quantum theory of atoms-in-molecules and the energy decomposition analysis. Ab initio molecular dynamics simulations are conducted at various temperatures to reveal the great kinetic and thermodynamic stabilities of the selected B 12 H 12 2- ·CH 3 CN cluster. The binding motif in B 12 H 12 2- ·CH 3 CN is largely retained for the whole halogenated series B 12 X 12 2- ·CH 3 CN (X = F–I). This study provides a molecular-level understanding of structural evolution for acetonitrile-solvated dodecaborate clusters and a fresh view by examining acetonitrile as a real hydrogen bond (HB) donor to form strong HB interactions.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Effective viscosity, resistivity, and Reynolds number in weakly collisional plasma turbulence
ABSTRACT We examine dissipation and energy conversion in weakly collisional plasma turbulence, employing in situ observations from the Magnetospheric Multiscale mission and kinetic particle-in-cell simulations of proton–electron plasma. A previous result indicated the presence of viscous-like and resistive-like scaling of average energy conversion rates – analogous to scalings characteristic of collisional systems. This allows for extraction of collisional-like coefficients of effective viscosity and resistivity, and thus also determination of effective Reynolds numbers based on these coefficients. The effective Reynolds number, as a measure of the available bandwidth for turbulence to populate various scales, links turbulence macroscale properties with kinetic plasma properties in a novel way.
Astronomy & Astrophysics↗
Locking water molecules via ternary O–H⋯O intramolecular hydrogen bonds in perhydroxylated closo -dodecaborate
A multitude of applications related to perhydroxylated closo-dodecaborate B 12 (OH) 12 2− in the condensed phase are inseparable from the fundamental mechanisms underlying the high water orientation selectivity based on the base B 12 (OH) 12 2− . Herein, we directly compare the structural evolution of water clusters, ranging from monomer to hexamer, oriented by functional groups in the bases B 12 H 12 2− , B 12 H 11 OH 2− and B 12 (OH) 12 2− using multiple theoretical methods. A significant revelation is made regarding B 12 (OH) 12 2− : each additional water molecule is locked into the intramolecular hydrogen bond B–O–H ternary ring in an embedded form. This new pattern of water cluster growth suggests that B–(H–O)⋯H–O interactions prevail over the competition from water–hydrogen bonds (O⋯H–O), distinguishing it from the behavior observed in B 12 H 12 2− and B 12 H 11 OH 2− bases, in which competition arises from a mixed competing model involving dihydrogen bonds (B–H⋯H–O), conventional hydrogen bonds (B–(H–O)⋯H–O) and water hydrogen bonds (O⋯H–O). Through aqueous solvation and ab initio molecular dynamics analysis, we further demonstrate the largest water clusters in the first hydrated shell with exceptional thermodynamic stability around B 12 (OH) 12 2− . These findings provide a solid scientific foundation for the design of boron cluster chemistry incorporating hydroxyl-group-modified borate salts with potential implications for various applications.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Beyond Duality: Rationalizing Repulsive Coulomb Barriers in Host–Guest Cyclodextrin–Dodecaborate Complexes
The repulsive Coulomb barrier (RCB), an intrinsic potential energy barrier along electron detachment or charge-separation coordinates in multiply charged anions (MCAs), provides dynamic stability to MCAs whose electronic and thermodynamic stabilities are largely dictated by strong internal Coulomb repulsions. Spectroscopic and theoretical characterizations of the RCB have been focused on isolated MCAs. In this work, we extend the RCB investigation beyond the previous scope by including noncovalent host–guest cyclodextrin-closo-dodecaborate dianionic complexes χCD·B 12 X 12 2– (χ = α, β, γ; X = H, F–I). Here, photodechment photoelectron spectroscopy reveals the existence of two distinctly different RCBs, derived from detaching electrons from the guest dianions (RCB 1 ) or ionizing the host neutrals (RCB 2 ), respectively, with the latter being substantially smaller than the former. In conclusion, theoretical calculations support the duality of RCBs in these complexes and further exhibit highly anisotropic nature of the RCBs.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
The relationship between urinary selenium levels and risk of gestational diabetes mellitus: A nested case–control study
Background Selenium (Se) is an essential trace element for the human body. Serum Se and urinary Se are also biomarkers to assess Se exposure status. However, studies focusing on the association between urinary Se and the risk of gestational diabetes mellitus (GDM) are rare. Objective To investigate the association between urinary Se and the risk of GDM. Methods A nested case–control study based on a prospective birth cohort in Wuhan, China, which focuses on the effects of prenatal environmental factors exposure on pregnant women and children’s health was conducted. Two hundred and twenty-six cases and 452 controls were included. Maternal urine samples were collected before GDM diagnosis, and the urinary Se levels were determined. We assessed the association of urinary Se with GDM by conditional logistic regression with maternal urinary Se level as a categorical variable, and estimated the association between Se and glucose levels by multiple linear regression. The potential modifier roles of maternal age and fetal sex have also been assessed. Results Lower urinary level of Se was significantly associated with a higher risk of GDM (OR = 2.35 for the tertile 1, 95% CI:1.36-4.06; adjusted OR = 1.79 for the tertile 2, 95%CI:1.09-2.95; p for trend = 0.01). Fetal sex had an interaction with Se in the association with GDM. The association was more pronounced among pregnant women with female fetuses than with male fetuses. Discussion Our study suggested a significant negative association between urinary Se and the risk of GDM, and this association may vary depending on the fetal sex.
Liu, Yuanxia↗
Multipoint Turbulence Analysis with HelioSwarm
Exploration of plasma dynamics in space, including turbulence, is entering a new era of multisatellite constellation measurements that will determine fundamental properties with unprecedented precision. Familiar but imprecise approximations will need to be abandoned and replaced with more-advanced approaches. We present a preparatory study of the evaluation of second- and third-order statistics, using simultaneous measurements at many points. Here, for specificity, the orbital configuration of the NASA Swarm mission is employed in conjunction with 3D magnetohydrodynamics numerical simulations of turbulence. The HelioSwarm nine-spacecraft constellation flies virtually through the turbulence to compare results with the exact numerical statistics. We demonstrate novel increment-based techniques for the computation of (1) the multidimensional spectra and (2) the turbulent energy flux. This latter increment-space estimate of the cascade rate, based on the third-order Yaglom–Politano–Pouquet theory, uses numerous increment-space tetrahedra. Our investigation reveals that HelioSwarm will provide crucial information on the nature of astrophysical turbulence.
79 ASTRONOMY AND ASTROPHYSICS↗
Quantifying the Agyrotropy of Proton and Electron Heating in Turbulent Plasmas
An important aspect of energy dissipation in weakly collisional plasmas is that of energy partitioning between different species (e.g., protons and electrons) and between different energy channels. Here we analyse pressure–strain interaction to quantify the fractions of isotropic compressive, gyrotropic, and nongyrotropic heating for each species. An analysis of kinetic turbulence simulations is compared and contrasted with corresponding observational results from Magnetospheric Multiscale Mission data in the magnetosheath. In assessing how protons and electrons respond to different ingredients of the pressure–strain interaction, we find that compressive heating is stronger than incompressive heating in the magnetosheath for both electrons and protons, while incompressive heating is stronger in kinetic plasma turbulence simulations. Concerning incompressive heating, the gyrotropic contribution for electrons is dominant over the nongyrotropic contribution, while for protons nongyrotropic heating is enhanced in both simulations and observations. Variations with plasma β are also discussed, and protons tend to gain more heating with increasing β.
79 ASTRONOMY AND ASTROPHYSICS↗
Hyperspectral Remote Sensing of Foliar Nitrogen Content
A strong positive correlation between vegetation canopy bidirectional reflectance factor (BRF) in the near infrared (NIR) spectral region and foliar mass-based nitrogen concentration (%N) has been reported in some temperate and boreal forests. This relationship, if true, would indicate an additional role for nitrogen in the climate system via its influence on surface albedo and may offer a simple approach for monitoring foliar nitrogen using satellite data. We report, however, that the previously reported correlation is an artifact - it is a consequence of variations in canopy structure, rather than of %N. The data underlying this relationship were collected at sites with varying proportions of foliar nitrogen-poor needleleaf and nitrogen-rich broadleaf species, whose canopy structure differs considerably. When the BRF data are corrected for canopy-structure effects, the residual reflectance variations are negatively related to %N at all wavelengths in the interval 423-855 nm. This suggests that the observed positive correlation between BRF and %N conveys no information about %N. We find that to infer leaf biochemical constituents, e.g., N content, from remotely sensed data, BRF spectra in the interval 710-790 nm provide critical information for correction of structural influences. Our analysis also suggests that surface characteristics of leaves impact remote sensing of its internal constituents. This further decreases the ability to remotely sense canopy foliar nitrogen. Finally, the analysis presented here is generic to the problem of remote sensing of leaf-tissue constituents and is therefore not a specific critique of articles espousing remote sensing of foliar %N.
Knyazikhin, Yuri↗
Decoupling Contributions from Canopy Structure and Leaf Optics is Critical for Remote Sensing Leaf Biochemistry (Reply to Townsend, et al.)
Townsend et al. (1) agree that we explained that the apparent relationship (2) between foliar nitrogen (%N) and near-infrared (NIR) canopy reflectance was largely attributable to structure (which is in turn caused by variation in fraction of broadleaf canopy). Our conclusion that the observed correlation with %N was spurious (i.e., lacking a causal basis) is, thus, clearly justified: we demonstrated that structure explained the great majority of observed correlation, where the structural influence was derived precisely via reconciling the observed correlation with radiative-transfer theory. What this also suggests is that such correlations, although observed, do not uniquely provide information on canopy biochemical constituents.
Knyazikhin, Yuri↗
The GEOS Retrospective Data Assimilation System: The 6-hour lag case
The fixed-lag Kalman smoother (FLKS) has been proposed as a framework to construct data assimilation procedures capable of producing high-quality climate research datasets. Fixed-lag Kalman smoother-based systems, referred to as retrospective data assimilation systems, are an extension to three-dimensional filtering procedures with the added capability of incorporating observations not only in the past and present time of the estimate, but also at future times. A variety of simplifications are necessary to render retrospective assimilation procedures practical. In this article, we present an FLKS-based retrospective data assimilation system implementation for the Goddard Earth Observing System (GOES) Data Assimilation System (DAS). The practicality of this implementation comes from the practicality of its underlying (filter) analysis system, i.e., the physical-space statistical analysis system (PSAS). The behavior of two schemes is studied here. The first retrospective analysis (RA) scheme is designed simply to update the regular PSAS analyses with observations available at times ahead of the regular analysis times. Although our GEOS DAS implementation is general, results are only presented for when observations 6-hours ahead of the analysis time are used to update the PSAS analyses and thereby to calculate the so-called lag-1 retrospective analyses. Consistency tests for this RA scheme show that the lag-1 retrospective analyses indeed have better 6-hour predictive skills than the predictions from the regular analyses. This motivates the introduction of the second retrospective analysis scheme which, at each analysis time, uses the 6-hour retrospective analysis to replace the first-guess normally used in the PSAS analysis, and therefore allows the calculation of a revised (filter) PSAS analysis. Since in this scheme the lag-1 retrospective analyses influence the filter results, this procedure is referred to as the retrospective-based iterative analysis (RIA) scheme. Results from the RIA scheme indicate its potential for improving the overall quality of the assimilation.
Zhu, Yan-Qiu↗
Research Related to Multi Degree of Freedom Magnetic Suspensions
This thesis covers the activities associated with (1) recommissioning of the 6-inch Magnetic Suspension and Balance System (MSBS) and (2) enhancing the Annular Suspension and Pointing System (ASPS). These activities continue the program of research in the multi degree of freedom magnetic suspension program at Old Dominion University. The 6-inch MSBS is a large gap magnetic suspension system used as a model support and balance system in wind tunnels. The first stage of recommissioning of the 6-inch MSBS for the 6-inch subsonic wind tunnel is performed. Experimental data and computational results for the magnetic field distribution of the MSBS are given and compared with the estimated magnetic field strength. The comparison indicates that the magnet system is still operating as designed. The Electromagnetic Position Sensor used in the 6-inch MSBS is analyzed before its find reinstatement. The ASPS is a small gap magnetic suspension system providing orientation, mechanical isolation and fine pointing of space payloads. The control system of the ASPS is improved by designing a new code to realize red time control over the system. The original Proportional-Derivative controller is upgraded to a Proportional-Integral-Derivative controller. This progress leads to a system which is more stable and robust with less noise. This new controller is generic and can be adapted to the 6-inch MSBS. Finally, future work on these two systems is proposed.
Britcher, Colin↗