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强调

Comprehensive

动态中心is the only commercial software for advanced analysis methods for relaxation, diffusion, kinetics, and protein dynamics

灵活的

对任何类型的光谱的多次平行分析

动态中心是用于放松，扩散和动力学分析的独特综合软件解决方案。它提供了丰富的方法，尤其是在蛋白质和核苷酸应用中。对包含一个或两个非频率维度的NMR数据的分析进行了自动化或半自动化。

Software Support and Upgrades

获取动态中心

Особенности

Features

高级方法的各种收集，特别是在蛋白质和核苷酸应用中
Multiple, parallel analysis of any type of spectra: series of 1Ds / 2Ds / 3Ds, pseudo 2Ds, pseudo 3Ds and time domain data
各种放松，扩散和动力学分析的统一工作流程
Automatic data fitting and best model selection
预定拟合功能的库。用户定义的拟合功能可选
功能强大的算法，用于逆向拉普拉斯转换
Unique interactive multi spectra display features

Преимущества

Benefits

Low learning efforts needed: All methods are following the same workflow with the same general components
User input is minimized if experiments are performed with Bruker pulse programs
Highly efficient: multiple parallel execution of different methods
确保数据质量：高级显示功能可以根据分析结果对数据完整性进行交互式检查
灵活的: Data can be imported and exported in different formats as Excel, tab separated text files, or pdf

Применения

Applications

General Dynamics

一般方法执行快速，并为任何分子或混合物提供数据分析。这包括对采集参数的自动优化，例如用于T1和T2实验。

放松（T1，T2，T1RHO）
扩散和动力学
Solid states (REDOR, CP)
Special methods (Arrhenius, 2D Laplace)

The analysis is based on peak integrals, is optimized in speed and flexibility, allows multi-component modelling, has many built-in functions and allows user defined functions.

One can set all parameters from external programs at runtime and integrate them into various automation environments. Routine analysis can also be triggered via TopSpin.

Protein Dynamics

蛋白质动力学工具集是从松弛参数，运动顺序参数，通过精确距离确定的定向动力学来确定蛋白质动力学的方法的集合。

成功的生物NMR光谱方法是基于液态和固态NMR实施的。数据用作2D，伪3D或3D光谱系列。

进一步的特殊方法包括雷克斯，cest，
TRACT and protein-ligand binding
结构（PDB）和
蛋白质序列（FASTA）
用于检查结果的高级显示工具
and experimental data
分配多个导入选项（峰列表
or shiftlists) from scientific programs like CCPNMR,
Sparky和其他人
Multiple export options for structure calculation with CYANA, XPLOR, ARIA

时域动力学

时域动力学是一种新工具，用于从Bruker的台式Minispec记录的NMR时域数据中提取松弛信息。还提供特殊方法：

FormCheck to quantify components in solid mixtures
2D Inverse Laplace to study material properties
TD Rheonmr结合NMR和风化计

The software is ideally suited for routine applications, optimization of experiments and additionally provides the infrastructure for automated analysis of large sample batches.

在苯嗪样品上的作用扩散

Diffusion experiments are routinely performed, e.g., to check for components in mixtures. Advanced curve fitting and inverse Laplace transform (ILT) are used to reveal details. Multi visualization tools (e.g., double log scale, residual display, amplitude profile display) provide insight into the quality. Quick overview is obtained via DOSY plots either based on fit results or ILT.

在需要的任何地方获取详细信息

Context sensitive properties provide interesting information, e.g., which model function was used and which results and error have been obtained, how different are experimental and back calculated data, do the residuals possibly indicate a systematic error?

Report and Export

包括图形和结果表的PDF报告可用于记录工作。对更多详细信息感兴趣的用户，例如，使用的所有峰积分都可能更喜欢导出而不是Excel或文本。这允许使用其他软件重新计算或创建替代图形结果显示。

NMR Helps to Follow Kinetics Reactions on Atomic Level

可提供一系列1D和2D实验。在示例中，所有2D光谱都堆叠成3D立方体。使用滑块，您可以导航到任何频谱，并使用光标选择任何峰值。相应的强度轮廓在线显示。累积曲线显示显示了总体反应。

研究材料的各向异性特性必威手机客户端

Different combinations of 2D diffusion-diffusion, diffusion-relaxation or relaxation-relaxation experiments are performed. From the 2D distributions of the respective parameters as obtained by 2D inverse Laplace transform information is obtained about content and anisotropy.

Determination of Rotational Correlation Times

在许多计算中需要此值，例如可以从分子量估计。道方法从磁场中两个核的协调旋转中直接从15N纵向和横向交叉相关的弛豫速率的比率直接确定它。仅需要定义一个大信号区域。

Dipolar Order Parameters Reveal Protein Backbone Dynamics

REDOR buildup curves are modelled with a series of Bessel functions to get dipolar couplings. Order parameters are derived from these and shown as a histogram on the amino acid sequence as well as a colored cartoon. Rigid and flexible regions of the molecule get visible.

Determination of Distances in Large Molecules

确切的NOE方法已实现。建模堆积曲线以获得交叉放松率和距离。然后，假设存在初始结构，则校正距离的旋转扩散。在相关图中可以看到与结构的一致性。为ARIA，CNS和CYANA生成约束文件，以获得更好的结构。

获取蛋白质骨架的动态参数

HETNOE，T1和T2实验需要组合并用于不同的模型计算。信息从光谱密度，松弛交换，相关时间到订单参数获得的范围。各向同性建模始终可以进行，如果提供蛋白质结构，则各向异性建模可用。在不同的磁场强度下获得的数据可以纳入一个计算中。

An Exciting Combination: NMR and Rheology, TDRheoNMR

尽管NMR提供动态信息，但流变学用于测量诸如粘度之类的机械性能。该示例显示了两个可可黄油结晶实验，其中在上部运行RHEO-NMR MINISPEC辅助辅助辅助场，直到样品迅速固化为止。在下图中，在其他相同的条件下没有施加剪切，从而导致较慢且随后的固化。上图还显示导入的流变数据（粘度）。此类实验可用于优化样品的组成并执行质量控制。