What’s new in Spinsolve v1.3? New 2D Carbon-Proton correlation protocols Spinsolve v1.3 includes several protocols for advanced two-dimensional proton-carbon correlation experiments, using direct as well as indirect carbon detection. The acquisition is made very easy, the user only needs to select the number of scans and the repetition time from a dropdown box. The following protocols are available: HETCOR (Heteronuclear Correlation): This protocol performs a two-dimensional experiment to measure 1H and 13C nuclei that are that are connected directly to each other. The two-dimensional spectrum displays the 13C spectrum along the direct (f2) dimension and the 1H spectrum along the indirect (f1) dimension. Cross-peaks in the spectrum reveal which 13C peak is correlated to which 1H peak via a one bond coupling. HMBC (Heteronuclear Multiple Bond Correlation): This protocol performs a twodimensional experiment to measure 1H and 13C nuclei that are that are correlated via long-range coupling, usually over two or three bonds. The two-dimensional spectrum displays the 1H spectrum along the direct (f2) dimension and the 13C spectrum along the indirect (f1) dimension. Cross-peaks in the spectrum reveal which 13C peak is correlated to which 1H peak via a multiple bond coupling. HMQC (Heteronuclear Multiple Quantum Coherence): This protocol performs a twodimensional experiment to measure 1H and 13C nuclei that are that are connected directly to each other. The two-dimensional spectrum displays the 1H spectrum along the direct (f2) dimension and the 13C spectrum along the indirect (f1) dimension. Cross-peaks in the spectrum reveal which 13C peak is correlated to which 1H peak via a one bond coupling. HSQC (Heteronuclear Single Quantum Coherence): This protocol performs a twodimensional experiment to measure 1H and 13C nuclei that are that are connected directly to each other. The two-dimensional spectrum displays the 1H spectrum along the direct (f2) dimension and the 13C spectrum along the indirect (f1) dimension. Cross-peaks in the spectrum reveal which 13C peak is correlated to which 1H peak via a one bond coupling. New 2D Fluorine protocols Spinsolve v1.3 includes several protocols for advanced two-dimensional fluorine experiments. The acquisition is made very easy, the user only needs to select between Quick (1 scan) and Power (4 scans) mode. The following protocols are available: F-COSY (Fluorine COSY): This protocol records a two-dimensional NMR spectrum with the signals of a normal 1D spectrum correlated with each other. Cross-peaks appear in the 2D spectrum if the corresponding fluorine nuclei couple with each other. This provides information about chemical structure and connectivity of the molecule. The pulse sequence is similar to the proton COSY and consists of two 90 degree rf pulses separated by a variable delay. F-JRES (Fluorine JRES): This protocol records a two-dimensional homonuclear jresolved fluorine spectrum. In a normal 1D spectrum, the peak splitting results from the combination of chemical shift and j-coupling, and it may be difficult to assign peaks in situations of overlapping multiplets. In the homonuclear 2D j-resolved experiment, these two couplings are separated and displayed on different axes of the 2D spectrum. The pulse sequence is similar to the proton JRES and consists of a 90 degree excitation pulse followed by a 180 degree refocussing pulse. The echo signal is acquired with the echo time being incremented. FH-COSY (Fluorine-Proton COSY): This protocol records a heteronuclear twodimensional NMR spectrum with the signals of a normal 1D spectrum correlated with each other. Cross-peaks appear in the 2D spectrum if the corresponding protons and fluorine nuclei couple with each other. This provides information about chemical structure and connectivity of the molecule. New Phosphorus-31 capabilities Spinsolve is now available as SpinsolvePhosphorus to record 31P spectra. Phosphorus and Phosphorus+: These two protocols enable the acquisition of protondecoupled 31P spectra. The Phosphorus+ protocol offers more choice in adjustment of experimental parameters compared to the simple to use Phosphorus protocol. Proton spectra can be recorded of the same sample. New or improved processing options Resolution enhancement The resolution enhancement feature is now available in the Proton+, T1, T2 and RM protocols, if the acquisition time is set to 3.2 or 6.4 seconds. Calibrate proton ppm scale The proton ppm reference can be set manually, for example from a solvent peak. Integration This processing option allows the measurement of peak integrals. Shimming The Quickshim and Powershim have been improved. Quickshim now uses a more intelligent algorithm to find the optimal values. As a result, the number of iterations and total duration may vary. It will usually take two minutes for a Quickshim, but if extra iterations are needed, it may take up to five minutes. Powershim also uses a more intelligent algorithm, but the total duration has not changed significantly compared to v1.2.
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