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元素有机化学国家重点实验室

Introduction

Facility

元素有机化学国家重点实验室(南开大学)公用仪器平台将大型仪器整合、集中管理开放, 使大型仪器能更好的为科研教学服务。

【Instrument Platform】

High-resolution Nuclear Magnetic Resonance (NMR) Platform

Presently, the nuclear magnetic resonance instrument platform of the State Key Laboratory of Elemento-organic Chemistry is equipped with 10 high-resolution nuclear magnetic resonance spectrometers for organic chemistry and structural biology research, including eight 400MHz spectrometers, one 300MHz spectrometer, and one 600MHz spectrometer (fitted with a QCI-ultra-low temperature probe).


These nuclear magnetic spectrometers serve different purposes and may be applied in temperature variation NMR experiments, structure elucidations, heteronuclear and bio-macromolecule experiments. These equipment acts as important tools for structure elucidation of organic molecules, studies of reaction mechanism, and rsearch into protein structure and dynamics.


The common experiments include one-dimensional 1H spectrum, 13C spectrum, and other heteronuclear and two-dimensional homonuclear including NOESY, COSY, TOCSY, and DOS. Two-dimensional heteronuclear experiments consist of HSQC, HMQC, and HMB. General experiments involve solvent peak suppression, chemical reaction dynamics experiments EXSY, and variable temperature experiments. In addition, there is also a Varian 400MHz spectrometer equipped with a 19F probe for 19F-NMR.


The Bruker 400MHz B-405 and B-406 spectrometers are equipped with carbon-hydrogen double probes. These instruments have relatively high sensitivity to carbon and hydrogen, suitable for NMR spectrums of carbon and hydrogen. B-407 spectrometer is fitted with a variable temperature unit, supporting routine experiments of -40°C-80°C.


The Bruker 600MHz spectrometer is equipped with QCI-ultra-low temperature probe, which may be applied in the structural elucidation of natural products and studies of bio-macromolecule structure, function, and dynamics.


NMR platform managers:

Xuncheng Su: long engaged in NMR research. Prof. Su joined the SKLEOC in September 2010 in the name of distinguished research fellow. The Su group is mainly interested in studies of NMR methodology and structural biology, H-index 26. Tel.:15022503834.


Shuzhong Zhang: expert in molecular computation simulation, embarked on construction of the NMR platform in 2003; won Nankai University Award in Teaching and Experimental Technical Achievements (Special Prize) in 2004. Tel.: 13752120466.


Shengqing Wu: embarked on NMR platform construction and management in August, 2008. 





Mass Spectrometry Platform

The mass spectrometry platform of the State Key Laboratory of Elemento-organic Chemistry is based on a variety of mass spectrometry instruments. The platform provides users with various types of mass spectrometric analysis and test services, in addition to research platforms for relevant cooperative studies. The platform is considered as a major component of SKLEOC’s large-scale instrument platform. By now, the mass spectrometric analysis platform includes four large-scale mass spectrometry instruments and devices, including a Fourier transform ion cyclotron resonance mass spectrometer (7.0 Tesla FT-MS, Varian), a high-resolution GC MS (Q Exactive GC Orbitrap, Thermo), a high-resolution matrix-assisted laser desorption ionization time-of-flight mass spectrometry (Autoflex III TOF/TOF, Bruker), and a liquid chromatography-quadrupole mass spectrometer (LCQ Advantage, Thermo). The platform can make high-resolution mass spectrometric analysis and characterization of various types of synthetic intermediates, drug molecules, and bio-macromolecules, offering technical supports for synthetic organic chemistry, pesticide science, and biochemistry.

FTICR Mass Spectrometer


Manufacturer
: Varian

Model: Varian 7.0T FTMS

Purchase date: May, 2006

Main specifications and technical indexes

The Fourier transform ion cyclotron resonance mass spectrometer (FTICR-MS) has the advantages of high resolution, high sensitivity, high precision, and high stability, etc. As for single-charge ionic compound, this instrument’s mass analysis range is up to 8000u, and the error is controlled within 4ppm.

Main functions and characteristics

Main fields of use: this instrument may be widely applied in the determination, analysis, and analysis of element composition, molecular mass and structure of organic compounds, drugs, polypeptides, proteins, glucides, coordination complexes, and synthetic polymers. As for undefined compounds, this instrument can determine its molecular mass precisely (error: within 2ppm), so as to confirm its element composition (molecular formula)..

Characteristic functions: this instrument is fitted with two independent ion sources, an ESI ionization source and a matrix assisted laser desorption ionization (MALDI) source. Both ESI and MALDI belong to the soft ionization technique. They are very suitable to test of chemical compounds with thermal instability such as proteins and polypeptides. In addition to supporting the test of cations and anions, this instrument may also be applied in tandem mass spectrometry (SORI and ECD) of single ions.


Main accessories and configuration

Precise mass calculation software and molecular formula search engine 

Contact: Shuqi Li

Email: shuqili@nankai.edu.cn

Tel.: 13612071523

P6070012.jpg


MALDI-TOF


Manufacturer
: Bruker

Model: Autoflex III TOF/TOF 200

Purchase date: Oct. 2012


Main specifications and technical indexes:

1.    MALDI-TOF range: 500Da-300KDa

2.    Resolution: up to 20,000FWHM

3.    High sensitivity: minimum to 500 amol. S/N≥20:1

4.    Inner calibration, precision≤4ppm


Main functions and characteristics

Functions include:

1.    Determination of molecular mass

2.    Protein determination

3.    Polymer analysis


MALDI-TOF is characterized by its broad molecular mass determination range, strong anti-interference abilities, quick analyzing speed, and high convenience.


Main accessories and configuration

1.    UPS

2.    Computer

3.    Printer

4.    Various types of target holders and target plates


Contact
: Sen Zhang

Email: Zhangsen06@126.com

Tel.: 137 5206 4015

P6070009.jpg


LC-MS

Manufacture: Thermo Finnigan

Model: LCQ-Advantage

Purchase date: Jul. 2004


Main specifications and technical indexes:

Molecular mass test range: 50-2000

With ESI and APCI interfaces

Mass spectrometry/mass spectrometry sensitivity: 5pg/μL

A variety of scanning functions: Full-scale scanning, selected ion monitoring (SIM), and selected reaction monitoring (SRM). 


Main functions and characteristics

The instrument is applicable to qualitative and quantitative analysis of nonvolatile  with strong hydrophilicity organic compounds, thermally unstable organic compounds and bio-macromolecule. It can also be utilized in determination of molecular mass and constitutional formula of undefined compounds.


Main accessories and configuration

ESI ionization source and APCI ionization source

Computer and printer

Contact: Sen Zhang

Email: Zhangsen06@126.com

Tel.: 13752064015 

P6070023.jpg

 

GC-MS


Field Emission Transmission Electron Microscope

Currently, the electron microscope platform of the State Key Laboratory of Elemento-organic Chemistry consists of one Tecnai G2 F20 S-TWIN Field Emission Transmission Electron Microscope (from American FEI Company), assisted with an integrated STEM system, and an integrated Energy Dispersive Spectrometer system. The transmission electron microscope is characterized by its high resolution and high magnification, with acceleration voltage of 200KV, beam spot drift rate of 0.675nm/min, image point resolution of 0.24nm, and image linear resolution of 0.102nm. Major applications of this transmission electron microscope is in observing fine material’s patterns and organizational structures, and providing relevant information such as crystal structures, sample micro-area chemical compositions, and element distribution (line scanning, surface scanning) of selected areas.


Field Emission Transmission Electron Microscope


Manufacturer: FEI
Model: Tecnai G2 F20
Purchase date: 2012


Main specifications and technical indexes

This instrument is a field emission and high-resolution transmission electron microscope, with acceleration voltage of up to 200KV.

Main parameters: beam spot drift rate: 0.675nm/min;

Image resolution index: point resolution of 0.24nm, linear resolution of 0.102nm.


Main functions and characteristics

Functions: this transmission electron microscope may be used in observing very fine material’s patterns and organizational structures, taking visual pictures, and providing information like crystal structure, sample micro-area chemical composition, and element distribution.

Characteristics: this instrument is characterized by high resolution, high magnification, and high picture pixel.

Main accessories and configuration

This instrument is equipped with an integrated STEM system and an integrated Energy Dispersive Spectrometer system.


Contact: Yongliang Cui

Email: ylcui@nankai.edu.cn

Tel.: 23506675


 


Computing Platform

Computation platform of the State Key Laboratory of Elemento-organic Chemistry takes Origin server and SYBYL series of molecular simulation & design softwares as the core to provide users with molecular simulation and computing services. The research platform is also open to levant cooperative studies, and provides technical supports for studies of synthetic organic chemistry, pesticide science, biochemistry, and pharmacy.


Manufacturer: SGI

Model: O350

Purchase date: Nov. 2003


Main specifications and technical indexes

SGI NUMAflex structure, MIPS 16000 dynamic matching, adaptive parallel computing, IRIX operating system, 4 PCI-X slots on two buses, the base compute module is compatible with the system expansion compute modules, TCP/IP, NFS V2/V3, RSVP, DHCP, Bulk Data Service.


Main functions and characteristics

The system may be applied in molecular design of pesticides, drugs, materials, and organic compounds, in molecular structure optimization and parameter calculations, in studies of 3D structure-activity relationships, in molecular docking studies, in establishment of pharmacophore models, in studies of effect targets, in virtual screening, and in molecular recognitions. More than 100 papers have been published on relevant research programs utilizing the system. The platform also serves its role in professional trainings, and takes part in organizing course notes and multimedia courseware for the “Computer-aided Molecular Design” postgraduate course.


Contact: Yi Ma

Emailmayi@nankai.edu.cn


 

Elementar

Our element analyzer of Vairo EL type was produced by Elementar Analysensysteme GmbH. The analyzer may be used in quantitative determination of C, H, and N elements to different forms of samples and various types of chemical compounds in the scientific research and routine tests.


Requirements on the samples of Vario EL element analyzer:

1. The sample must be pure, dry and free of organic solvents, water, and other impurities.

2. Melting point and boiling point of solids and liquids respectively must stay within the permissible scope..

3. Reaction flasks cannot be used directly for sampling. The tested sample must be put into a glass or plastic vial.

4. Ample materials need to be prepared to meet the instrument’s linearity and sensitivity.

5. Statements for air sensitive and photo sensitive samples need to be put in advance to take necessary actions.

6.Clear notes and chemical structures must be marked for high fluorine containing compounds, steroidal compounds, phosphorous compounds, boron compounds, high nitrogen compounds, and metallic compounds. 


Time for sending and taking samples:

Send the sample: 8:00-11:00 a.m.; take the sample: 2:00-5:00 p.m.


Contact: Jianxin Ma

Tel.: 022-23504652

X-ray Single Crystal Diffractometer

Single-crystal diffractometer may be used in the 3-dimentional structural determination of molecules, and applied further in the studies of chemistry, biology, and material sciences. In general, R factor hovers around 5% (R factor, also called consistency factor, is an important parameter to determine if the theoretical data and experimental data are consistent. If R factor is 5%, it means that the coincidence degree between theory and experiment hits 95%). With the correct molecular structure, we may then discuss the properties of the molecules. 

Instrument Profile

Manufacture: Rigaku Corporation

Model: rigaku007, rigaku002, rigaku007hf, rigaku xtalab p200

Purchase date: 2006, 2009, 2009, 2015


Main specifications and technical indexes

Rigaku007 micro-focus rotating target generator, focal spot size: 0.07*0.07mm2, Maximum power: 800W; Confocal Max-Flux optical system; SATURN724CCD, effective area of the detector: 70mm*70mm, optical fiber compression cone ratio: 1.4:1, pixel: 2048*2048; equipped with low-temperature unit.

Rigaku002 micro-focus fixed target generator, focal spot size: 0.02*0.02mm2, Maximum power: 40W; Confocal Max-Flux optical system; SATURN944CCD, effective area of the detector: 90mm*90mm, optical fiber compression cone ratio: 1.8:1, pixel: 2048*2048; equipped with low-temperature unit.

Rigaku007HF micro-focus rotating target generator, focal spot size: 0.07*0.07mm2, Maximum power: 1200W; Confocal Max-Flux optical system; PILATUS silicon array detector, effective area: 83.8 × 70.0 mm2, equipped with low-temperature unit.

Rigaku xtalab p200 micro-focus rotating target generator, focal spot size: 0.07*0.07 mm2, Maximum power: 1200W; Confocal Max-Flux optical system; PILATUS silicon array detector, effective area: 83.8 × 70.0 mm2, equipped with low-temperature unit.


Contact: Haibin Song

Email:songhb@nankai.edu.cn

Tel.: 13920843354



Specialized Public Instruments

序号

No.

仪器名称

Instrument name

放置地点

Place

课题组负责人

Research Group Leader

仪器管理人Instrument Manager

1

红外光谱仪RecIR(原位红外)

Infrared spectrometer RecIR (in-situ infrared)

合成楼317

Synthesis Building 317

李靖

Jing Li

常卫星

Weixing Chang

2

红外光谱仪(Tensor27

Infrared spectrometer (Tensor27)

合成楼317

Synthesis Building 317

李靖

Jing Li

常卫星

Weixing Chang

3

时间停留激光闪解仪

Time stop-Laser Flash Photolysis Spectrometer

六教314

Teaching Building VI: 314

朱晓晴

Xiaoqing Zhu

朱晓晴

Xiaoqing Zhu

4

紫外可见分光光度计

Ultraviolet-visible spectrophotometer

合成楼419

Synthesis Building 419

郑健禺

Jianyu Zheng

朱义州

Yizhou Zhu

5

荧光光谱仪

Fluorescence spectrometer

合成楼419

Synthesis Building 419

郑健禺

Jianyu Zheng

朱义州

Yizhou Zhu

6

电化学分析仪

Electrochemical analyzer

六教209

Teaching Building VI: 209

宋礼成

Licheng Song

胡青眉

Qingmei Hu

7

DU800核酸蛋白分析仪

DU800 nucleic acid protein analyzer

生测楼203

Bioassay Building 203

李永红

Yonghong Li

李永红

Yonghong Li

8

正置荧光显微照像仪

Positive fluorescence microphotography

生测楼203

Bioassay Building 203

李永红

Yonghong Li

李永红

Yonghong Li

9

臭氧发生器

Ozone generator

六教218

Teaching Building VI: 218

程津培

Jinpei Cheng

陈莉

Li Chen

10

Bruker550红外光谱仪

Bruker550 infrared spectrometer

六教319

Teaching Building VI: 319

唐良富

Liangfu Tang

唐良富

Liangfu Tang

11

凝胶渗透色谱(GPC

Gel-permeation chromatograph (GPC)

六教119

Teaching Building VI: 119

崔春明

Chunming Cui

张建颖

Jianying Zhang

12

原子力显微镜

Atomic force microscope

六教121

Teaching Building VI: 121

刘育

Yu Liu

郭东升

Dongsheng Guo

13

荧光寿命仪

Fluorescence lifetime meter

六教121

Teaching Building VI: 121

刘育

Yu Liu

张衡益

Hengyi Zhang

14

色谱

Color spectrum

合成楼313

Synthesis Building 313

徐凤波

Fengbo Xu

吴桂平

Guiping Wu

15

旋光仪

Polarimeter

合成楼419

Synthesis Building 419

周正洪

Zhenghong Zhou

周正洪

Zhenghong Zhou