An Efficient Stereoselective Synthesis of Key Fragments of Elaiophylin

The stereoselective synthesis of key fragments 3 and 7 of elaiophylin has been accomplished from readily available epichlorohydrin as the starting material. The key reactions involved are Jacobsen's kinetic resolution, Prins cyclization, pyridinium chlorochromate‐mediated oxidative cleavage, Grignard reaction, and cross‐metathesis reaction.     

Modeling the coupling of reaction kinetics and hydrodynamics in a collapsing cavity

We introduce a model of cavitation based on the multiphase Lattice Boltzmann method (LBM) that allows for coupling between the hydrodynamics of a collapsing cavity and supported solute chemical species. We demonstrate that this model can also be coupled to deterministic or stochastic chemical reactions. In a two-species model of chemical reactions (with a major and a minor species), the major difference observed between the deterministic and stochastic reactions takes the form of random fluctuations in concentration of the minor species. We demonstrate that advection associated with the hydrodynamics of a collapsing cavity leads to highly inhomogeneous concentration of solutes. In turn these inhomogeneities in concentration may lead to significant increase in concentration-dependent reaction rates and can result in a local enhancement in the production of minor species.     

Time-parallel multiscale/multiphysics framework

We introduce the time-parallel compound wavelet matrix method (tpCWM) for modeling the temporal evolution of multiscale and multiphysics systems. The method couples time parallel (TP) and CWM methods operating at different spatial and temporal scales. We demonstrate the efficiency of our approach on two examples: a chemical reaction kinetic system and a non-linear predator–prey system. Our results indicate that the tpCWM technique is capable of accelerating time-to-solution by 2–3-orders of magnitude and is amenable to efficient parallel implementation.     

A Concise Total Synthesis of Diospongins A and B

The total synthesis of the diarylheptanoids (?)‐diospongin A ( 1 ) and B ( 2 ) was achieved stereoselectively via the δ‐lactone intermediate 6 . The key reactions involved are a stereoselective reduction of β‐keto ester and the Horner–Wadsworth–Emmons and intramolecular oxy‐Michael reactions.     

An efficient one-pot synthesis of indolyl-4H-chromene derivatives

Chemistry of Heterocyclic Compounds - A new one-pot three-component reaction for the synthesis of indolyl-4H-chromene derivatives has been developed. The synthesis was achieved by reacting...     

Some Simple Test Procedures for Normal Mean Vector with Incomplete Data

The problem of testing normal mean vector when the observations are missing from subsets of components is considered. For a data matrix with a monotone pattern, three simple exact tests are proposed as alternatives to the traditional likelihood ratio test. Numerical power comparisons between the proposed tests and the likelihood ratio test suggest that one of the proposed tests is indeed comparable to the likelihood ratio test and the other two tests perform better than the likelihood ratio test over a part of the parameter space. The results are extended to a nonmonotone pattern and illustrated using an example.     

Dynamic interacting bubble simulation (DIBS): an agent-based bubble model for reacting fluidized beds

In this paper we explore the global dynamics of an agent-type model for bubbles in gas-fluidized beds and demonstrate that these features are consistent with experimentally observed behavior. The model accounts for the simultaneous interactions of thousands of individual bubbles and includes mass-transfer and first-order reactions between the gas and solids so that the impact of the dynamics is reflected in reactant conversion. We start with model parameters that have been demonstrated to produce time average behavior consistent with experimental reactor measurements. By observing the temporal variations of spatially averaged bubble properties, we are able to clearly distinguish the onset of global low-dimensional features that appear to be consistent with previous observations. The most prominent of these features is a large-scale oscillation that exhibits intermittency with power-law scaling in the vicinity of a critical gas flow. We show that the oscillation occurs as the result of a globally synchronized horizontal movement of the bubbles toward the center of the reactor. The oscillation appears to be consistent with the occurrence of the so-called "slugging" phenomenon, which is known to have large effects on fluidized bed reactor performance. Although this model can clearly be further improved, its success in replicating several of the key features of slugging indicates that this approach can serve as a useful tool for understanding and possibly controlling fluidized bed dynamics. We also conjecture that this model may be useful for more generally understanding the occurrence of global features in high-dimensional, multi-agent systems.     

Two-sample inference for normal mean vectors based on monotone missing data

Inferential procedures for the difference between two multivariate normal mean vectors based on incomplete data matrices with different monotone patterns are developed. Assuming that the population covariance matrices are equal, a pivotal quantity, similar to the Hotelling T² statistic, is proposed, and its approximate distribution is derived. Hypothesis testing and confidence estimation of the difference between the mean vectors based on the approximate distribution are outlined. The validity of the approximation is investigated using Monte Carlo simulation. Monte Carlo studies indicate that the approximate method is very satisfactory even for small samples. A multiple comparison procedure is outlined and the proposed methods are illustrated using an example.     

Bifurcation analysis of bubble dynamics in fluidized beds

We use a low-dimensional, agent-based bubble model to study the changes in the global dynamics of fluidized beds in response to changes in the frequency of the rising bubbles. The computationally based bifurcation analysis shows that at low frequencies, the global dynamics is attracted towards a fixed point since the bubbles interact very little with one another. As the frequency of injection increases, however, the global dynamics undergoes a series of bifurcations to new behaviors that include highly periodic orbits, chaotic attractors, and intermittent behavior between periodic orbits and chaotic sets. Using methods from time-series analysis, we are able to approximate nonlinear models that allow for long-term predictions and the possibility of developing control algorithms.