다중혈관 관상동맥 환자에서 y-문합을 이용하여 양쪽 내흉동맥만을 사용한 우회술의 조기 성적

[신간의 별자리x] 우리/미술, 그리고 ‘슬픔의 박물관’

: The unpolarized absorption and circular dichroism spectra of the fundamental vibrational transitions of the chiral molecule, 4-methyl-2-oxetanone, are calculated ab initio. Harmonic force fields are obtained using Density Functional Theory (DFT), MP2, and SCF methodologies and a 5S4P2D/3S2P (TZ2P) basis set. DFT calculations use the Local Spin Density Approximation (LSDA), BLYP, and Becke3LYP (B3LYP) density functionals. Mid-IR spectra predicted using LSDA, BLYP, and B3LYP force fields are of significantly different quality, the B3LYP force field yielding spectra in clearly superior, and overall excellent, agreement with experiment. The MP2 force field yields spectra in slightly worse agreement with experiment than the B3LYP force field. The SCF force field yields spectra in poor agreement with experiment.The basis set dependence of B3LYP force fields is also explored: the 6-31G* and TZ2P basis sets give very similar results while the 3-21G basis set yields spectra in substantially worse agreements with experiment. jg

Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields

Molecular imprinting technology (MIT), often described as a method of making a molecular lock to match a molecular key, is a technique for the creation of molecularly imprinted polymers (MIPs) with tailor-made binding sites complementary to the template molecules in shape, size and functional groups. Owing to their unique features of structure predictability, recognition specificity and application universality, MIPs have found a wide range of applications in various fields. Herein, we propose to comprehensively review the recent advances in molecular imprinting including versatile perspectives and applications, concerning novel preparation technologies and strategies of MIT, and highlight the applications of MIPs. The fundamentals of MIPs involving essential elements, preparation procedures and characterization methods are briefly outlined. Smart MIT for MIPs is especially highlighted including ingenious MIT (surface imprinting, nanoimprinting, etc.), special strategies of MIT (dummy imprinting, segment imprinting, etc.) and stimuli-responsive MIT (single/dual/multi-responsive technology). By virtue of smart MIT, new formatted MIPs gain popularity for versatile applications, including sample pretreatment/chromatographic separation (solid phase extraction, monolithic column chromatography, etc.) and chemical/biological sensing (electrochemical sensing, fluorescence sensing, etc.). Finally, we propose the remaining challenges and future perspectives to accelerate the development of MIT, and to utilize it for further developing versatile MIPs with a wide range of applications (650 references).

http://ir.yic.ac.cn/bitstream/133337/17045/1/Molecular%20imprinting%20perspectives%20and%20applications.pdf

Molecular imprinting: perspectives and applications

Über die Adsorption in Lösungen

Electrodeposition of graphene oxide doped poly(3,4-ethylenedioxythiophene) film and its electrochemical sensing of catechol and hydroquinone

Rapid removal of toxic metals Cu2+ and Pb2+ by amino trimethylene phosphonic acid intercalated layered double hydroxide: A combined experimental and DFT study

Adsorption and Desorption of Pb(II) on l-Lysine Modified Montmorillonite and the simulation of Interlayer Structure

A poly(3,4-ethylenedioxythiophene)/graphene oxide (PEDOT/GO) composite was synthesized via in situ potentiostatic polymerization of monomer and GO without additional dopants to modify the surface of glassy carbon electrode. The morphology and structure of PEDOT/GO composite film was characterized by TEM, Raman spectra and XPS. The prepared composite showed excellent electro-catalytic activities toward the redox of acetaminophen (AP). The construction of the film and operational pH were optimized and a simple, sensitive and cyclic voltammetry procedure was used to the determination of AP. The calibration curve was obtained with detection limit of 0.57 μM. The sensor based on PEDOT/GO modified electrode shows satisfactory selectivity and stability.

Mingzhu Xia

Papers

Electrodeposition of graphene oxide doped poly(3,4-ethylenedioxythiophene) film and its electrochemical sensing of catechol and hydroquinone

Rapid removal of toxic metals Cu2+ and Pb2+ by amino trimethylene phosphonic acid intercalated layered double hydroxide: A combined experimental and DFT study

Adsorption and Desorption of Pb(II) on l-Lysine Modified Montmorillonite and the simulation of Interlayer Structure

Electrochemical sensing of acetaminophen based on poly(3,4-ethylenedioxythiophene)/graphene oxide composites

Peroxymonosulfate activation through 2D/2D Z-scheme CoAl-LDH/BiOBr photocatalyst under visible light for ciprofloxacin degradation.