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1.发明授权公开(公告)号：US08941382B2
公开(公告)日：2015-01-27
申请号：US13201056
申请日：2010-02-12
申请人： Sebastian Hiller , Gerhard Wagner
发明人： Sebastian Hiller , Gerhard Wagner
CPC分类号： G01R33/31 , G01R33/34092 , G01R33/4608 , G01R33/4616 , G01R33/4625
摘要： Described are methods and apparatus, referred to as “temperature-lock,” which can control and stabilize the sample temperature in an NMR spectrometer, in some instances with a precision and an accuracy of below about 0.1 K. In conventional setups, sample heating caused by experiments with high-power radio frequency pulses is not readily detected and is corrected by a cumbersome manual procedure. In contrast, the temperature-lock disclosed herein automatically maintains the sample at the same reference temperature over the course of different NMR experiments. The temperature-lock can work by continuous or non-continuous measurement of the resonance frequency of a suitable temperature-lock nucleus and simultaneous adaptation of a temperature control signal to stabilize the sample at a reference temperature value. Inter-scan periods with variable length can be used to maintain the sample at thermal equilibrium over the full length of an experiment.
摘要翻译： 描述了在某些情况下精确度和精度低于约0.1K的NMR调制仪中可以控制和稳定样品温度的方法和装置（称为“温度锁定”）。在常规设置中，样品加热引起 通过高功率射频脉冲的实验不容易检测到并且通过繁琐的手动过程来校正。 相比之下，本文公开的温度锁定在不同的NMR实验过程中将样品自动维持在相同的参考温度。 温度锁定可以通过连续或非连续测量合适的温度锁定核的共振频率并同时适应温度控制信号来使样品稳定在参考温度值。 可以使用具有可变长度的扫描周期将样品保持在实验全长的热平衡。
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2.发明申请公开(公告)号：US20120119738A1
公开(公告)日：2012-05-17
申请号：US13201056
申请日：2010-02-12
申请人： Sebastian Hiller , Gerhard Wagner
发明人： Sebastian Hiller , Gerhard Wagner
CPC分类号： G01R33/31 , G01R33/34092 , G01R33/4608 , G01R33/4616 , G01R33/4625
摘要： Described are methods and apparatus, referred to as “temperature-lock,” which can control and stabilize the sample temperature in an NMR spectrometer, in some instances with a precision and an accuracy of below about 0.1 K. In conventional setups, sample heating caused by experiments with high-power radio frequency pulses is not readily detected and is corrected by a cumbersome manual procedure. In contrast, the temperature-lock disclosed herein automatically maintains the sample at the same reference temperature over the course of different NMR experiments. The temperature- lock can work by continuous or non-continuous measurement of the resonance frequency of a suitable temperature-lock nucleus and simultaneous adaptation of a temperature control signal to stabilize the sample at a reference temperature value. Inter-scan periods with variable length can be used to maintain the sample at thermal equilibrium over the full length of an experiment.
摘要翻译： 描述了在某些情况下精确度和精度低于约0.1K的NMR调制仪中可以控制和稳定样品温度的方法和装置（称为“温度锁定”）。在常规设置中，样品加热引起 通过高功率射频脉冲的实验不容易检测到并且通过繁琐的手动过程来校正。 相比之下，本文公开的温度锁定在不同的NMR实验过程中将样品自动维持在相同的参考温度。 温度锁定可以通过连续或非连续测量合适的温度锁定核的共振频率并同时适应温度控制信号来使样本稳定在参考温度值。 可以使用具有可变长度的扫描周期将样品保持在实验全长的热平衡。
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公开(公告)号：US07308365B2
公开(公告)日：2007-12-11
申请号：US11439161
申请日：2006-05-24
IPC分类号： G06F19/00
CPC分类号： G01R33/4625
摘要： A method of projection spectroscopy for N-dimensional NMR experiments with the following steps. Data recording through; a) selection of N-dimensional NMR experiments out of a group of N-dimensional experiments, selection of the dimensionalities (Di) of the projections and unconstrained selection of j sets of projection angles, with j≧2; b) recording of discrete sets of j projections from the N-dimensional NMR experiments at the selected projection angles; c) peak picking and creating a peak list for each of the j projection spectra is characterized by d) automated identification of peaks in the projection spectra that arise from the same resonance in the N-dimensional spectrum (N≧3) using vector algebra to exploit geometrical properties of projections in the N-dimensional space, and computation of a N-dimensional peak list using vector algebra to exploit geometrical properties of projections in the N-dimensional space. A reliable method of automated projection spectroscopy without restrictions on projection angles and dimensionality is thereby realized.
摘要翻译： 一种用于N维NMR实验的投影光谱的方法，具有以下步骤。 数据记录通过; a）从一组N维实验中选择N维NMR实验，选择投影的维数（D）和投影角度的j组的无约束选择，其中j> = 2; b）以所选投影角从N维NMR实验记录离散的j个投影集; c）对于每个j个投影光谱的峰值采样和创建峰值列表的特征在于d）使用矢量代数在N维谱中从相同共振产生的投影光谱中自动识别峰值（N> = 3） 利用N维空间中的投影的几何特性，以及使用向量代数计算N维峰值列表，以利用N维空间中的投影的几何特性。 从而实现了对投影角度和维度没有限制的自动投影光谱的可靠方法。
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公开(公告)号：US20060273797A1
公开(公告)日：2006-12-07
申请号：US11439161
申请日：2006-05-24
IPC分类号： G01V3/00
CPC分类号： G01R33/4625
摘要： A method of projection spectroscopy for N-dimensional NMR experiments with the following steps. Data recording comprising: a) selection of N-dimensional NMR experiments out of a group of N-dimensional experiments, selection of the dimensionalities (Di) of the projections and unconstrained selection of j sets of projection angles, with j≧2; b) recording of discrete sets of j projections from the N-dimensional NMR experiments at the selected projection angles; c) peak picking and creating a peak list for each of the j projection spectra is characterized by d) automated identification of peaks in the projection spectra that arise from the same resonance in the N-dimensional spectrum (N≧3) using vector algebra to exploit geometrical properties of projections in the N-dimensional space, and computation of a N-dimensional peak list using vector algebra to exploit geometrical properties of projections in the N-dimensional space. A reliable method of automated projection spectroscopy without restrictions on projection angles and dimensionality is thereby realized.
摘要翻译： 一种用于N维NMR实验的投影光谱的方法，具有以下步骤。 数据记录包括：a）从一组N维实验中选择N维NMR实验，选择投影的维度（D）和投影角度的j组投影角度的非约束选择 ，j> = 2; b）以所选投影角从N维NMR实验记录离散的j个投影集; c）对于每个j个投影光谱的峰值采样和创建峰值列表的特征在于d）使用矢量代数在N维谱中从相同共振产生的投影光谱中自动识别峰值（N> = 3） 利用N维空间中的投影的几何特性，以及使用向量代数计算N维峰值列表，以利用N维空间中的投影的几何特性。 从而实现了对投影角度和维度没有限制的自动投影光谱的可靠方法。
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