Preparative access to medicinal chemistry related chiral alcohols using carbonyl reductase technology

Libraries of highly enantioenriched secondary alcohols in both enantiomeric forms were synthesised by enzymatic reduction of their parent ketones using selectAZyme? carbonyl reductase (CRED) technology. Commercially available CREDs were able to reduce a range of substrate classes efficiently and with very high enantioselectivity. Matching substrate classes to small subsets of CREDs enabled the fast development of preparative bioreductions and the rapid generation of 100–1500 mg samples of chiral alcohols in typically >95% ee and the majority in ?99.0% ee. The conditions for small scale synthesis were then scaled up to 0.5 kg to deliver one of the chiral alcohols, (S)-1-(4-bromophenyl)-2-chloroethanol, in 99.8% ee and 91% isolated yield.     

Photolyses of mammalian carboxy-hemoglobin studied by photoacoustic calorimetry

The enthalpy and conformational volume changes in the photolyses of carboxy-hemoglobin (HbCO) of human, bovine, pig, horse and rabbit are investigated by photoacoustic calorimetry. Considering the time scales of the exciting laser pulse and the receiving ultrasound transducers (PVDF films and PZT ceramics), as well as the reaction lifetimes in the photolysis processes of HbCO, the measured results are related to the geminate recombination and tertiary relaxation in photolyses of HbCO. Moreover, the quantum yields of the five mammals are also measured by laser pump-probe technique. The results show that the dynamic parameters, such as enthalpy and conformational volume changes, differ between the processes of the geminate recombination and tertiary relaxation. Also, the dynamic parameters differ among the five mammals although some of them may be consistent with each other.     

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The power measurement method for 3.7GHz LHCD system on HL-2A was introduced. It is found by HFSS simulation that the impact of backward wave phase on the measurement of forward power may be suppressed if the isolation of directional coupler is more than 30dB. After improving the system, the total transmission line efficiency of the LHCD system can reach 89% with maximum power 1.5MW in 2016 experiment campaign.     

The high response organic ultraviolet photodetectors based on 2-TNATA as donor

Organic ultraviolet photodetectors (OUV-PDs) were fabricated utilizing 2-TNATA as an electron donor with Bphen and TPBi as electron acceptors. A high sensitivity of OUV-PDs to UV light was obtained in the range of 300–420 nm. The optimized OUV-PDs composed of Bphen as the acceptor offered a photocurrent density up to 336 µA/cm² at ?8 V with 365 nm UV light at a power of 1.2 mW/cm². The high response is attributed to the excellent electron transport ability of Bphen and the matched energy level between 2-TNATA and Bphen.     

Structure Analysis of Needle-like Copper Tantalum Trisulfide Crystals by XPS and Raman Spectroscopy

High-quality needle-like CuTaS3 single crystals have been synthesized through a chemical vapor transport(CVT)process.Crystallographic data show the special double chains of edge-sharing TaS6 octahedra....     

On Some Erroneous Statements in the Paper “Optimality Conditions for Extended Ky Fan Inequality with Cone and Affine Constraints and Their Applications” by A. Capătă

In this note we show that the main result of the paper (J. Optim. Theory Appl., published online on 10 September 2011) due to A. Capătă and, consequently, all its particular cases are false.     

铈基催化剂催化氧化燃煤烟气中汞的实验及机理研究

采用超声波增强的浸渍法合成了CeO₂-TiO₂催化剂,并采用BET,XRD,XPS等分析手段对催化剂进行了表征。利用固定床反应器,在模拟燃煤烟气条件下研究了CeO₂-TiO₂催化剂对单质汞的催化氧化行为及机理。结果表明:CeO₂-TiO₂催化剂在低温范围（150～250°）具有很强的催化氧化汞的能力;最佳的CeO₂/TiO₂质量比在1.5左右,此时汞的氧化效率可高达90%以上;P25,Evonik TiO₂比锐钛矿TiO₂更适合做铈基催化剂载体;CeO₂-TiO₂催化剂上汞的催化氧化符合Langmuir-Hinshelwood机理,即吸附态的汞与其邻近的活性物质反应生成氧化态汞。     

Structural studies of metal ligand complexes by ion mobility-mass spectrometry

Collision cross sections (CCS) have been measured for three salen ligands, and their complexes with copper and zinc using travelling-wave ion mobility-mass spectrometry (TWIMS) and drift tube ion mobility-mass spectrometry (DTIMS), allowing a comparative size evaluation of the ligands and complexes. CCS measurements using TWIMS were determined using peptide and TAAH calibration standards. TWIMS measurements gave significantly larger CCS than DTIMS in helium, by 9 % for TAAH standards and 3 % for peptide standards, indicating that the choice of calibration standards is important in ensuring the accuracy of TWIMS-derived CCS measurements. Repeatability data for TWIMS was obtained for inter- and intra-day studies with mean RSDs of 1.1 % and 0.7 %, respectively. The CCS data obtained from IM-MS measurements are compared to CCS values obtained via the projection approximation, the exact hard spheres method and the trajectory method from X-ray coordinates and modelled structures using density functional theory (DFT) based methods.     

Rare-earth Doped Nanoparticles with Narrow NIR-II Emission for Optical Imaging with Reduced Autofluorescence

Fluorescence imaging in the second near-infrared region(900-1700 nm, NIR-II) with a high resolution and penetration depth due to the significantly reduced tissue scattering and autofluorescence has emerged as a useful tool in biomedical fields. Recently, many efforts have been devoted to the development of fluorophores with an emission band covering the long-wavelength end of NIR-II region(1500-1700 nm) to eliminate the autofluorescence. Alternatively, we believe imaging with a narrow bandwidth could also reduce the autofluorescence. As a proof of concept, NaYF₄:Yb,Nd@NaYF₄ downconversion nanoparticles(DCNPs) with sharp NIR-II emission were synthesized. The luminescence of DCNPs showed a half-peak width of 49 nm centered at 998 nm, which was perfectly matched with a (1000±25) nm bandpass filter. With this filter, we were able to retain most of the emissions from the nanoparticles, while the autofluorescence was largely reduced. After PEGylation, the DCNPs exhibited great performance for blood vessel and tumor imaging in living mice with significantly reduced autofluorescence and interference signals. This work provided an alternative way for the low-autofluorescence imaging and emphasized the importance of narrow emitting rare-earth doped nanoparticles for NIR-II imaging.     

Enantioselective Synthesis of Chiral Carboxylic Acids from Alkynes and Formic Acid by Nickel-Catalyzed Cascade Reactions: Facile Synthesis of Profens

We report a stereoselective conversion of terminal alkynes to α-chiral carboxylic acids using a nickel-catalyzed domino hydrocarboxylation-transfer hydrogenation reaction. A simple nickel/BenzP* catalyst displayed high activity in both steps of regioselective hydrocarboxylation of alkynes and subsequent asymmetric transfer hydrogenation. The reaction was successfully applied in enantioselective preparation of three nonsteroidal anti-inflammatory profens (>90 % ees) and the chiral fragment of AZD2716.