부산대학교 공동실험실습관

미래를 향한 힘찬 발걸음

부산대학교 공동실험실습관

미래를 향한 힘찬 발걸음

공유
인쇄
모델명 AVANCE NEO 500
설치장소 구조분석실 (B107)
설치상태 고정
장비상태 양호
문의처 TEL :
E-mail : hcto1800@pusan.ac.kr
오퍼레이터 이희찬

예약정보

예약가능요일 : 화요일, 수요일, 목요일,

예약가능시간/휴게시간 : 09:30~23:30 / 11:30~13:30

예약최소/최대시간/(예약단위당)예약가능건수 : 1시간 / 24시간 / 6건

예약가능기간 : 현재일로부터 1개월까지

제약사항 : 당일예약불가, 당일취소가능

유의사항

* 분석가능시간 - 평일(화~목) 오전 09:30-11:30 / 오후 13:30-17:30
1시간 단위로 예약 바랍니다.
ex)13:30~14:30 (1시간), 09:30~11:30(2시간)

* 기타 추가 사항 및 문의 - (051-510-3041) 또는 [시료 정보 및 기타사항]에 입력 바랍니다.
초전도, high resolution NMR 분광 시스템은 500MHz 이상의 proton resonance frequecy에 대해서 11.7 T 정도의 아주 작은 자장을가지 초전도 자석을 사용한다. 이 자석 시스템은 51mm 정도의 구멍을 가지는데 이것은 직경 2.5 또는 5mm미만과 10mm의 sample tube에 대해서 다양한 온도에서 사용할 수 있다.
II. 장비의 구성 (Configurations of Goods)
1. Magnet System : 1 Set (주장비)
2. Spectrometer Console : 1 Set (주장비)
3. Probes : 2 Sets (부속장비)
4. Operation Computer System & NMR Software Package : 1 Set (부속장비)
5. Auto sample changer : 1 Set (부속장비)
6. Software about structure verification & elucidation : 1 Set (부속장비)
7. Software about mixture and chemometric analysis including NMR spectrum library : 1set (부속장비)
8. Accessories (부속장비)


Ⅲ. 성능 및 사양 (Performance and Specification)

A. Specification

1. Magnet System (주장비)
- Actively shielded superconducting magnet (54mm bore size) for sample diameters 1mm to 10mm
1) Magnet field strength : 11.74 Tesla or more
2) Cryogen hold time : L-He > 150 days or more / L-N2 > 15 days or more
3) Magnet stray fields, 5 gauss line from magnet center
(1) Horizontal distance : 0.60 m or less
(2) Vertical distance : 1.20 m or less
4) Field drift rate : 5 Hz / Hour or less
5) Anti-vibration damping accessory : 3 Hz or better
6) Shim system : 36 orthogonal shims gradients or more, low current and low heat dissipation design for optimum line shape for non-spinning sample to obtain maximum signal intensity.

2. Spectrometer Console (주장비)
1) Frequency channels : Fully broadband frequency generation with three numerically controlled oscillators for four channels
(1) Channel number : 2 channels
(2) Frequency range
a) Channel 1 : 5-650MHz or wider
b) Channel 2 : 5-650MHz or wider
(3) Frequency resolution : 0.005 Hz or less
(4) Phase resolution : 0.006° or less
(5) Amplitude resolution : 0.5 dB or less
(6) Coarse amplitude control (attenuation) of 90dB or more
(7) Fine amplitude control (modulation) of min. 85dB or more
(8) Intermediate frequency : 20 MHz or more

2) AD converter
(1) Effective dynamic range of digitizer
a) SW < 5 MHz : > 16 bit
b) SW < 1 MHz : > 18 bit
c) SW < 6 KHz : > 22 bit or better
(2) Quadrature receiver : Quadrature image peaks with digital quadrature detection : 0 %
3) Amplifier system requirements:
(1) Amplifier #1
a) Max. pulse power : 100 Watt or more
b) Frequency range : 1H/19F : 180 ? 600 MHz or wider
(2) Amplifier #2
a) Max. pulse power : 500 Watt or more
b) Frequency range : 6 - 365 MHz or wider
(3) Amplifier #3
a) 3 Watt or more deuterium amplifier and lock switch for optimum automatic shimming

4) Deuterium Lock
(1) Digital lock system with digital filter or equivalent
(2) Digital quadrature lock receiver for highest sensitivity
(3) Fast-field adjustments with sample-and-hold circuit
(4) Variable lock frequency for operation at selectable field
(5) Shim control boards with ultra-stable high-precision, low-noise shim current sources.
5) Timing controller for the exact timing with min. 12.5 nanosec time resolution.
6) High performance receiver for acquisition of NMR data with oversampling and digital filtering, min. 5MHz band width.
7) High performance digitizer with min 21 bit effective dynamic range at 6 KHz.
8) Fast Ethernet based communication and control system for bi-directional connection to the host computer.

9) Preamplifier system
(1) 1H-19F preamplifier
(2) 2H preamplifier (for lock and 2H observe)
(3) Broadband preamplifier 6-365MHz
(4) Built-in tune/match display module

3. Probes (부속장비)
1) Cryoprobe 5mm broadband detection with actively shielded Z-gradient coil and automatic tuning and matching for all nuclei.
(1) 1H and 19F and all NMR nuclei in the range 31P to 15N can be observed / irradiated.
(2) All of these nuclei can be fully automatically selected and optimally tuned and matched.
(3) All RF coils of this probe are cryogenically cooled and it features integrated cryogenically
cooled preamplifiers for all nuclei: the broadband channel, 1H and also 2H for highest lock
performance.
(4) Sensitivity: minimum
a. 1200 : 1 for 19F (TFT sample)
b. 750 : 1 for 13C ASTM (ASTM, 40% p-dioxane, 60% C6D6)
c. 410 : 1 for 31P TPP (0.0485M TPP in Acetone-D6)
d. 80 : 1 for 15N (90% Formamide in DMSO-D6)
e. 1350 : 1 for 1H (0.1% Ethylbenzene, over 200 Hz noise)
(5) 90o pulse widths: less than
a. 15 μs for 19F TFT
b. 10 μs for 13C ASTM
c. 12 μs for 31P TPP
d. 15 μs for 15N 90% Form.
f. 12 μs for 1H 0.1%EB
(6) Non-spin line shape (Resolution) for 13C: less than
a. 0.2 Hz at 50%
b. 2 Hz at 0.55%
c. 4 Hz at 0.11%
(7) VT: 0oC to + 80oC or wider

2) 4mm high resolution Magic Angle Spinning probe
(1) Fitted with a single axis gradient, oriented along the magic angle, for 500MHz standard-bore magnets.
(2) 1H observation with 13C decoupling and fitted with a 2H lock channel.
(3) MAS pneumatic control unit is required for operation of the sample rotation as
well as for the sample insertion and ejection without taking out probe.
(4) Sample volume can be varied between 10 and 80 μl, using the appropriate sample inserts. Maximum rotation frequency is 15 kHz.
(5) Non-spin line shape (Resolution) for 1H: less than
a. 12 Hz at 0.55% (3% chloroform , 50 μl)
b. 18 Hz at 0.11% (3% chloroform , 50 μl)
(6) Sensitivity: minimum
a. 25 : 1 for 13C ASTM (ASTM, 40% p-dioxane, 60% C6D6 , 50 μl)
b. 130 : 1 for 1H (0.1% Ethyl-benzene, over 200 Hz noise , 50 μl)
(7) 90o pulse widths: less than
a. 5 μs for 13C ASTM
b. 6 μs for 1H 0.1%EB
(8) VT: -20oC to + 80oC or wider

4. Operation Computer System & NMR Software Package (부속장비)
- HP Z440 PC w/ Windows7 or LINUX oper. system
- 2.553 GHz Intel Xeon dual core
- 4 GB RAM
- 500 GB disk
- DVD reader, incl. installation
- Operting system: Windows7
- 22" TFT monitor
- NMR software for Windows7 (Topspin3 or ) :
NMR data acquisition (arbitrary dimensions) and processing (1D, 2D, 3D, 4D, nD), NMR automation interface, evaluation of relaxation experiments, analysis of solids spectra, multiplet analysis, integration of 1D and 2D spectra, deconvolution of 1D and 2D spectra, software for experiment simulation, comprehensive software for training of users in use of 1D and 2D experiments with NMR literature library.
1) Intuitive acquisition
(1) Graphical user interface for first-time spectrometer users, inexperienced or occasional users, who prefer to be guided through each setup of the acquisition process.

2) Optimized Workflow
(1) Easily set up your own panels by just editing a text file
(2) Define your desired fonts and colors
(3) Assign your favorite experiments to panel buttons
(4) Customize the experiment using your own parameters
(5) Assign your help messages to each button.

3) Data Evaluation
(1) Window multiplication, fourier transform, phase correction, baseline correction, all interactive or automatic
(2) Forward/backward and Delayed Linear Prediction
(3) Inverse Fourier and Hilbert transform
(4) Processing of rows, columns, planes and subcubes of nD datasets
(5) Dosy diffusion processing
(6) Interactive and automatic multi-dimensional peak picking and integration
(7) Automatically process series of datasets
(8) Import a variety of NMR data formats
(9) Administer groups of datasets to manage projects
(10) Export data displays to pdf, png, jpg, emf, bmp formats
(11) Send data via e-mail or save to a zip archive
(12) Drag & Drop data from Windows/Linux explorer
(13) Write own extensions in C or Python, including graphics
(14) Search for datasets based on name, data, pulse program, title, dimension
(15) Print window contents.

4) Automation
(1) Auto shimming method consists of gradient shimming and auto tune shimming method including 1D and 3D gradient shimming by one click mouse.
(2) Multi-user support
(3) Configurable 1-click experiment setup, integrated title selection / collation
(4) Spreadsheet import, experiment duplication / iteration
(5) Lock, shim tuning / matching control, intelligent temperature handling
(6) Failsafe Watchdog timer, convenient search tool
(7) Automate any dataset, acquire & view spectra via internet
(8) Multiple user login safeguards, regulate access for ,view-only' monitoring
(9) Secure server SSL mode, small screen PDA support.

5) Structure Analysis
(1) Relaxation analysis (T1/T2)
(2) Gaussian / Lorentzian deconvolution of 1D and 2D spectra
(3) Maximum Entropy deconvolution
(4) Dynamic exchange lineshape analysis (DNMR), 7 nuclei, chemical shifts and scalar couplings, mutual / non-mutual exchange
(5) Solid stare lineshape analysis:
(6) Computes various line shape models and fits them to spectra
(7) Interactive and automatic multiplet analysis
(8) Daisy spectrum simulation / iteration to obtain accurate chemical shifts, couplings and line widths.
(9) Uses multiplet analysis results or spin systems definitions in various formats
(10) Integrated structure editor (2D) and viewer (3D)
(11) Prediction of 1H and 13C NMR shifts from chemical structure including a complete molecular modelling system with a 3D structure editor
(12) Computation of the fids of 1D/nD experiments from a pulse program with acquisition parameters and a spin system using quantum mechanics
(13) NMR quantification
(14) HSQC structure verification aids.

6) Knowledge data base
(1) Pulse program catalogue
(2) Experiment dex-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-x-scriptions
(3) Literature references
(4) Comprehensive search engine

7) Print Spectra Professionally
(1) Tight integration: Rapid access to standard plots
(2) Predefined plot layouts
(3) Easy user interface: Comfortable, interactive customization
(4) Intelligent reusability: Fits your requirements for standards
(5) Reliable performance: Fast automation for high data throughput
(6) Wide inter-operability: Export to many file formats (PostScript, PDF, Windows Metafile, pixel graphics)
(7) Programmatic access: Flexibility for even the most sophisticated plot solutions.

5. Auto sample changer
1) Easy, safe and convenient access at user height
2) 24 or more easily accessed sample positions
3) Random access for sequential- or batch automation
4) Unique manual push-button sample exchange
5) Supports all common sample tubes in spinners or shuttles
6) Required cooling functionality in holder rack to keep sample temperature less than 6oC

6. Application software for structure verification & elucidation (부속장비)

(1) Assisted NMR data interpretation and workflow streamlining
1) Seamless integration with NMR spectrometers
2) State-of-the-art analysis engine, powered by modern human logic emulation algorithms
3) Automatic data analysis includes: Integration and 1H number determination, multiplet analysis structural assignment, consistency statement, concentration
4) Automatic results may be refined manually
5) Reports include detailed PDF and multiplet string in different journal formats
6) Windows, Linux or Mac operation systems are fully supported

(2) Structure Elucidation Software license
1) Simple and efficient structure elucidation of small molecules in drug discovery and natural
products research
2) Automates many of the necessary analysis and interpretation steps
3) Seamless integration of NMR acquisition and sophisticated software analysis
4) Unique in class for its robustness, tolerates mistakes in the data by eliminating invalid
correlations
5) Flexible interface allows the user to introduce any previous or acquired knowledge about the structure, dramatically decreasing the structure calculation time
6) Enables both accomplished researchers and beginners to expedite the elucidation of unknown substances in diverse pharmaceutical and chemical applications
7) Organizes the data for a molecule into a single project, and provides unique graphical tools for data visualization and interpretation
8) Results are? structures with chemical shift assignments and atoms correlations, in electronic format, ready to be reported or exported

7. Application software for mixture and chemometric analysis including NMR spectrum library (부속장비)
(1) Packages about NMR Spectral Database
1) Spectral database for analysis of body fluids like urine, plasma and other.
2) Spectral database should includes 650 or more compounds
3) Spectra type of each compound shoud includes 1H, 13C, JRES, COSY, TOCSY, HSQC and HMBC.
4) Includes mol files with assignment
5) Includes spectral database building tools and meta data management tool
6) Required to search specific components from both 1D and 2D spectra.
7) Includes Complete Reduction to Amplitude Frequency Table (CRAFT) and 1D PROFILE.
8) Includes import HMDB and DrugBank spectral databases is supported.

(2) Packages about Mixture and Chemometric Analysis
1) Component identification
2) Absolute and relative quantification
3) Equation builder tool
4) Quantile Plot
5) SIMCA Outlier Detection
6) Multi-class classification
7) Bucketing ,PCA , PLS and model validation tools.

B. Accessories
1. Gradient spectroscopy kit, strength up to 50 or more Gauss/cm
2. Digital variable temperature controller
3. Fully automated pneumatic unit featuring: Automated start and stop of rotor spinning,precise spinning rate stabilization, automated inject/eject
4. MAS rotor transfer system 4 mm
5. Cooling unit for regulating temperature for probe around 5oC
6. HP Laser printer model 2035 or equivalent
7. Air compressor, Oilless type, 5HP
8. Air dryer, -40oC dew point
9. U. P. S 5KVA, 30min. back-up time
10. L-He and L-N2 for installation
지난 반세기 동안 과학자들은 핵 자기 공명 (NMR)을 사용하여 작은 유기 분자에서부터 큰 단백질 복합체에 이르기까지 분자를 직접 확인, 정량화 및 특성화했다. 특정 분자의 탁월한 분석으로 높은 가치를 지닌 NMR은 다른 분석 방법으로는 접근 할 수없는 분자 동역학 및 구조 구조에 대한 풍부한 세부 사항을 보여준다. NMR은 최소 샘플 양을 요구하는 비파괴 기술이므로 추가적인 분석을 할 수 있다.
1. 홈페이지를 통해, 기기의 보유 여부 확인
2. 분석 가능 여부 확인
3. 분석 의뢰 접수 (홈페이지)
4. 시료의 측정 및 분석
5. 분석완료 후, 내부결재 진행
6. 이용료 납부 후 결과 확인
▷ 1H-NMR : 40,000원/개
▷ 13C-NMR : 60,000원/시간
▷ 2D-NMR : 60,000원/시간
▷ 기타 핵종 : 40,000원/개,시간

전처리 비용 별도(튜브, 용매 등 구매가 적용)
추가 30분당 30,000원