Electrochemical Oxidative C—H Sulfenylation of Imidazopyridines with Hydrogen Evolution

Selective oxidative C—H sulfenylation of imidazopyridine heterocycles is achieved using an undivided electrolytic cell. The reaction avoids the use of stoichiometric amount of external chemical oxidant and produces hydrogen gas as the only byproduct. Both aryl and aliphatic thiols demonstrate good reactivity for C—S bond formation.     

A branch and bound algorithm for dynamic resource allocation in population disease management

We embed an approximate dynamic program into a branch-and-bound framework to solve sequential resource allocation problems in population disease management. The proposed algorithm is capable of providing an optimality guarantee and getting bounds on the optimality gap of healthcare interventions. A numerical study on screening and treatment policy implementation for chronic hepatitis C virus (HCV) infection provides useful insights regarding HCV elimination for baby boomers.     

Acridinium Benzoates for Ratiometric Fluorescence Imaging

Acridinium benzoate was developed as a unique ICT-based fluorescent scaffold for both ratiometric and turn-on fluorescence imaging through decaging of the phenolic hydroxyl groups. Two fluorescent probes, Acr1-H₂O₂ and Acr1- β -gal , were developed for the fluorescence imaging of H₂O₂ and β-galactosidase in vivo.     

Influence of structural variation of salamo‐based ligand on supramolecular architectures,Hirshfeld analyses,and fluorescence properties of new tetranuclear NiII complexes

Two new tetranuclear Ni^II complexes, [Ni₄(L¹)₂(N₃)₄(MeOH)₂]·CH₃COCH₃ (1) and [Ni₄(L²)₂(N₃)₄(MeOH)₂]·4CH₃COCH₃ (2) , were synthesized using NiCl₂·6H₂O, NaN₃, and asymmetric salamo‐based ligands H₂L¹ and H₂L², respectively. The structural characterization was made by elemental analyses, infrared (IR) and ultraviolet‐visible (UV‐vis) spectra, and X‐ray diffraction analyses. The results of X‐ray diffraction analyses show that the Ni^II atoms in complexes 1 and 2 are distorted octahedral geometries. Interestingly, the degree of distortion of the ligands in complexes 1 and 2 is different, which indicates that the interaction of Ni^II ions on different ligands is different. Meanwhile, the investigation of molecular packing by employing the Hirshfeld surface analysis exhibits that the percentages of C–H/H–C, O–H/H–O, and H–H/H–H contacts of the complex 1 (or 2 ) are calculated to be 17.7%, 7.9%, and 53.7% (or 18.8%, 13.8%, and 52.5%), respectively, where the H–H/H–H contacts have the characteristics of strong contacts whereas the O–H/H–O hydrogen bonds are considerably weak, and the studies on fluorescence properties further confirm the Ni^II atoms have different binding abilities to the different ligands.     

Evolution of the Flow Structure in the Gap and Near Wake of Two Tandem Cylinders in the AG Regime

Fluid Dynamics - A high-order discontinuous Galerkin method is employed to study the evolution of the flow structure in the gap and near wake of two tandem cylinders in the alternating in the gap...     

Stability,encapsulation and large-area fabrication of organic photovoltaics

Organic photovoltaics(OPVs) have become a timely research topic for their advantages of light weight, low cost, low toxicity,environmental adaptability, flexibility, and large-area manufacture, especially after non-fullerene acceptor ITIC reported in 2015.The highest power conversion efficiency(PCE) is currently above 18% for OPV. However, there are still imparities in the efficiency of OPVs when compared with silicon-based photovoltaics, as well as in their shelf life. Compared with inorganicbased photovoltaics, the efficiency of large-area OPVs is lower and the life time of OPVs is shorter. Therefore, such inferior performance of large-area OPVs restricts the commercial development. Based on these constraints, this paper reviews the research work regarding OPVs into three aspects: stability, encapsulation technology, and recent large-area preparation technologies.     

RhIII-Catalyzed C6-Selective Oxidative C−H/C−H Crosscoupling of 2-Pyridones with Thiophenes

A rhodium(III)-catalyzed C6-selective dehydrogenative cross-coupling of 2-pyridones with thiophenes was developed for the synthesis of 6-thiophenyl pyridin-2(1H)-one derivatives. In this reaction, the excellent site selectivity was controlled by the 2-pyridyl directing group on the nitrogen of the pyridone ring. Control experiments indicated that the N-pyridyl was essential for the transformation. To the best of our knowledge, this procedure is the first successful example of the direct C6 heteroarylation of 2-pyridones with electron-rich thiophene derivatives. 4-Pyridone was also used as substrate to generate the corresponding C2 heteroarylated product. Moreover, this pyridyl directing group was readily removable to generate the biheteroaryl structures with a free N−H group.     

Syntheses,Structures and Antitumor Activities of Tri(o-bromobenzyl)tin Diethyldithiocarbamate and Tri(m-fluorobenzyl)tin Pyrrolidine Dithiocarbamate

Tri(o-bromobenzyl)tin diethyldithiocarbamate(1) and tri(m-fluorobenzyl)tin pyrrolidine dithiocarbamate(2) have been synthesized and characterized by elemental analysis, IR spectroscopy, NMR(~1 H, ¹³C and ¹¹⁹Sn), thermogravimetric analysis and single-crystal X-ray diffraction. The two complexes crystallize in the triclinic system space group P1. For complex 1, a = 0.9770(1), b = 1.1011(1), c = 1.4583(1) nm, α = 78.431(1)°, β = 86.307(1)°, γ = 69.712(1)°, V = 1.4417(2) nm^3, Z = 2, Dc = 1.790 g/cm^3, m(Mo Kα) = 52.04 cm–1, F(000) = 756, R = 0.0434 and wR = 0.0593. For complex 2, a = 0.7055(1), b = 1.3349(3), c = 1.3782(3) nm, α = 89.216(2)°, β = 82.044(2)°, γ = 84.637(2)°, V = 1.2799(5) nm^3, Z = 2, Dc = 1.537 g/cm^3, m(Mo Kα) = 11.98 cm^–1, F(000) = 596, R = 0.0313 and wR = 0.0333. The two complexes represent mononuclear structures with five-coordinated [SnC3S2] cores forming a distorted trigonal bipyramid. The quantum chemical calculations of 1 and 2 have been investigated. The antitumor activity shows that 1 and 2 have higher activities than cisplatinum against Colo205, HepG2, MCF-7, Hela and H460 cell line in vitro.     

Numerical comparison of HCCI combustion mode between a free piston linear engine and traditional crankshaft engine

Journal of Thermal Analysis and Calorimetry - The free piston linear engine (FPLE) eliminates the crankshaft components and supports variable compression ratio operation. This characteristic makes...