Loading Stark-decelerated molecules into electrostatic quadrupole traps

Beams of neutral polar molecules in a low-field seeking quantum state can be slowed down using a Stark decelerator, and can subsequently be loaded and confined in electrostatic quadrupole traps. The efficiency of the trap loading process is determined by the ability to couple the decelerated packet of molecules into the trap without loss of molecules and without heating. We discuss the inherent difficulties to obtain ideal trap loading, and describe and compare different trap loading strategies. A new "split-endcap" quadrupole trap design is presented that enables improved trap loading efficiencies. This is experimentally verified by comparing the trapping of OH radicals using the conventional and the new quadrupole trap designs

Influence of a confined methanol solvent on the reactivity of active sites in UiO-66

UiO-66, composed of Zr-oxide bricks and terephthalate linkers, is currently one of the most studied metal-organic frameworks due to its exceptional stability. Defects can be introduced in the structure, creating undercoordinated Zr atoms which are Lewis acid sites. Here, additional BrOnsted sites can be generated by coordinated protic species from the solvent. In this Article, a multilevel modeling approach was applied to unravel the effect of a confined methanol solvent on the active sites in UiO-66. First, active sites were explored with static periodic density functional theory calculations to investigate adsorption of water and methanol. Solvent was then introduced in the pores with grand canonical Monte Carlo simulations, followed by a series of molecular dynamics simulations at operating conditions. A hydrogen-bonded network of methanol molecules is formed, allowing the protons to shuttle between solvent methanol, adsorbed water, and the inorganic brick. Upon deprotonation of an active site, the methanol solvent aids the transfer of protons and stabilizes charged configurations via hydrogen bonding, which could be crucial in stabilizing reactive intermediates. The multilevel modeling approach adopted here sheds light on the important role of a confined solvent on the active sites in the UiO-66 material, introducing dynamic acidity in the system at finite temperatures by which protons may be easily shuttled from various positions at the active sites

When Are Multidimensional Data Unidimensional Enough for Structural Equation Modeling?:An Evaluation of the DETECT Multidimensionality Index

In structural equation modeling (SEM), researchers need to evaluate whether item response data, which are often multidimensional, can be modeled with a unidimensional measurement model without seriously biasing the parameter estimates. This issue is commonly addressed through testing the fit of a unidimensional model specification, a strategy previously determined to be problematic. As an alternative to the use of fit indexes, we considered the utility of a statistical tool that was expressly designed to assess the degree of departure from unidimensionality in a data set. Specifically, we evaluated the ability of the DETECT “essential unidimensionality” index to predict the bias in parameter estimates that results from misspecifying a unidimensional model when the data are multidimensional. We generated multidimensional data from bifactor structures that varied in general factor strength, number of group factors, and items per group factor; a unidimensional measurement model was then fit and parameter bias recorded. Although DETECT index values were generally predictive of parameter bias, in many cases, the degree of bias was small even though DETECT indicated significant multidimensionality. Thus we do not recommend the stand-alone use of DETECT benchmark values to either accept or reject a unidimensional measurement model. However, when DETECT was used in combination with additional indexes of general factor strength and group factor structure, parameter bias was highly predictable. Recommendations for judging the severity of potential model misspecifications in practice are provided.<br/

Optical pumping of trapped neutral molecules by blackbody radiation

Optical pumping by blackbody radiation is a feature shared by all polar molecules and fundamentally limits the time that these molecules can be kept in a single quantum state in a trap. To demonstrate and quantify this, we have monitored the optical pumping of electrostatically trapped OH and OD radicals by room-temperature blackbody radiation. Transfer of these molecules to rotationally excited states by blackbody radiation at 295 K limits the $1/e$ trapping time for OH and OD in the $X^{2}\Pi_{3/2},v''=0,J''=3/2(f)$ state to 2.8 s and 7.1 s, respectively.Comment: corrected small mistakes; added journal reference

Neural crest stem cells undergo multilineage differentiation in developing peripheral nerves to generate endoneurial fibroblasts in addition to Schwann cells

Neural crest stem cells (NCSCs) persist in peripheral nerves throughout late gestation but their function is unknown. Current models of nerve development only consider the generation of Schwann cells from neural crest, but the presence of NCSCs raises the possibility of multilineage differentiation. We performed Cre-recombinase fate mapping to determine which nerve cells are neural crest derived. Endoneurial fibroblasts, in addition to myelinating and non-myelinating Schwann cells, were neural crest derived, whereas perineurial cells, pericytes and endothelial cells were not. This identified endoneurial fibroblasts as a novel neural crest derivative, and demonstrated that trunk neural crest does give rise to fibroblasts in vivo, consistent with previous studies of trunk NCSCs in culture. The multilineage differentiation of NCSCs into glial and non-glial derivatives in the developing nerve appears to be regulated by neuregulin, notch ligands, and bone morphogenic proteins, as these factors are expressed in the developing nerve, and cause nerve NCSCs to generate Schwann cells and fibroblasts, but not neurons, in culture. Nerve development is thus more complex than was previously thought, involving NCSC self-renewal, lineage commitment and multilineage differentiation

Learning normal form autoencoders for data-driven discovery of universal, parameter-dependent governing equations

Complex systems manifest a small number of instabilities and bifurcations that are canonical in nature, resulting in universal pattern forming characteristics as a function of some parametric dependence. Such parametric instabilities are mathematically characterized by their universal un-foldings, or normal form dynamics, whereby a parsimonious model can be used to represent the dynamics. Although center manifold theory guarantees the existence of such low-dimensional normal forms, finding them has remained a long standing challenge. In this work, we introduce deep learning autoencoders to discover coordinate transformations that capture the underlying parametric dependence of a dynamical system in terms of its canonical normal form, allowing for a simple representation of the parametric dependence and bifurcation structure. The autoencoder constrains the latent variable to adhere to a given normal form, thus allowing it to learn the appropriate coordinate transformation. We demonstrate the method on a number of example problems, showing that it can capture a diverse set of normal forms associated with Hopf, pitchfork, transcritical and/or saddle node bifurcations. This method shows how normal forms can be leveraged as canonical and universal building blocks in deep learning approaches for model discovery and reduced-order modeling.Comment: 18 pages, 7 figure

Electrostatic trapping of metastable NH molecules

We report on the Stark deceleration and electrostatic trapping of $^{14}$NH ($a ^1\Delta$) radicals. In the trap, the molecules are excited on the spin-forbidden $A ^3\Pi \leftarrow a ^1\Delta$ transition and detected via their subsequent fluorescence to the $X ^3\Sigma^-$ ground state. The 1/e trapping time is 1.4 $\pm$ 0.1 s, from which a lower limit of 2.7 s for the radiative lifetime of the $a ^1\Delta, v=0,J=2$ state is deduced. The spectral profile of the molecules in the trapping field is measured to probe their spatial distribution. Electrostatic trapping of metastable NH followed by optical pumping of the trapped molecules to the electronic ground state is an important step towards accumulation of these radicals in a magnetic trap.Comment: replaced with final version, added journal referenc

Reflection of OH molecules from magnetic mirrors

We have reflected a Stark-decelerated beam of OH molecules under normal incidence from mirrors consisting of permanent magnets. Two different types of magnetic mirrors have been demonstrated. A long-range flat mirror made from a large disc magnet has been used to spatially focus the reflected beam in the longitudinal direction ("bunching"). A short-range curved mirror composed of an array of small cube magnets allows for transverse focusing of the reflected beam.Comment: 10 pages, 5 figure

Production and deceleration of a pulsed beam of metastable NH (a1Δa ^1\Delta) radicals

We report on the production of a pulsed molecular beam of metastable NH ($a ^1\Delta$) radicals and present first results on the Stark deceleration of the NH ($a ^1\Delta, J=2, M\Omega=-4$) radicals from 550 m/s to 330 m/s. The decelerated molecules are excited on the spin-forbidden $A ^3\Pi \leftarrow a ^1\Delta$ transition, and detected via their subsequent spontaneous fluorescence to the $X ^3\Sigma^{-}, v"=0$ ground-state. These experiments demonstrate the feasibility of our recently proposed scheme [Phys. Rev. A 64 (2001) 041401] to accumulate ground-state NH radicals in a magnetic trap.Comment: 11 pages, 4 figures, v2: fixed author name for web-abstract, no changes to manuscrip