Recent Advances in Deuteration Reactions

The deuteration of organic compounds has attracted more attentions in recent years for the potential applications in new drug discovery and synthetic chemistry.For this purpose,many efficient deuterium labeling methodologies have been developed,including hydrogen isotope exchange(HIE),reductive deuteration,and dehalogenative deuteration that allow for the synthesis of selectively deuterated compounds.In the last few years,great breakthroughs in selective isotope labeling have been achieved and the interest in new methodologies for the deuteration of organic molecules is rising.In this review,we summarized the recent developments in the selective deuteration of organic molecules since 2021.Several types of key processes in deuterium incorporation reactions,including H/D exchange,reductive deuteration and dehalogenative deuteration,are introduced and discussed.

Thermal transport properties of monolayer phosphorene： a mini-review of theoretical studies

Phosphorene, a two-dimensional （2D） elemen- tal semiconductor with a high carrier mobility and intrinsic direct band gap, possesses fascinating chemical and physical properties distinctively different from other 2D materials. Its rapidly growing applications in nano-/opto- electronics and thermoelectrics call for fundamental understanding of the thermal transport properties. Con- sidering the fact that there have been so many studies on the thermal transport in phosphorene, it is on emerging demand to have a review on the progress of previous studies and give an outlook on future work. In this mini- review, the unique thermal transport properties of phos- phorene induced by the hinge-like structure are examined. There exists a huge deviation in the reported thermal conductivity of phosphorene in literature. Besides, the mechanism underlying the deviation is discussed by reviewing the effect of different functionals and cutoff distance in calculating the thermal transport properties of phosphorene. It is found that the van der Waals （vdW） interactions play a key role in the formation of resonant bonding, which leads to long-ranged interactions. Taking into account of the vdW interactions and including the long-ranged interactions caused by the resonant bonding with large cutoff distance are important for getting the accurate and converged thermal conductivity of phosphor- ene. Moreover, a fundamental insight into the thermal transport is provided based on the review of resonant bonding in phosphorene. This mini-review summarizes theprogress of the thermal transport in phosphorene and gives an outlook on future horizons, which would benefit the design of phosphorene based nano-electronics.

Selected Recent Applications of Sparse Grids

Sparse grids have become a versatile tool for a vast range of applications reaching from interpolation and numerical quadrature to data-driven problems and uncertainty quantification.We review four selected real-world applications of sparse grids:financial product pricing with the Black-Scholes model,interactive explo-ration of simulation data with sparse-grid-based surrogate models,analysis of simu-lation data through sparse grid data mining methods,and stability investigations of plasma turbulence simulations.