;Pulse Program Code for Bruker: ;pp:hobs_hsqc_nr ;2D Experiment ;HOmodecoupled Band-Selective of non-refocused F2-coupled HSQC experiment (non-refocused HOBS-HSQC) ; based on the instant Zangger-Sterk experiment ;2D H-1/X correlation via inept transfer ;phase sensitive using Echo/Antiecho-TPPI gradient selection ;L. Castaņar, P. Nolis, A. Virgili & T. Parella, ; Chem. Eur. J (2013) DOI:chem.201303235 ;Avance III version (07/07/2013) ;Topspin2.1 & Topspin3.1 #include #include #include #include #define hobs "p2=p1*2" "d4=1s/(cnst2*4)" "d11=30m" "d0=3u" "in0=inf1/2" "DELTA1=50u+p16+d16" "DELTA2=d4-larger(p2,p14)/2-50u-p16-d16" "DELTA3=d4-larger(p2,p14)/2-50u-p16-d16" "DELTA=p16+d16+50u+p2+d0*2+50u" #ifdef hobs dwellmode explicit "d2=aq/l0" "d3=d2/2" "l1=l0-1" #else #endif 1 ze 2 d1 pl0:f1 3 (p11:sp1 ph1):f1 50u UNBLKGRAD p16:gp6 d16 DELTA2 pl0:f2 pl1:f1 (center (p2 ph1) (p14:sp3 ph6):f2 ) DELTA2 pl2:f2 pl1:f1 50u p16:gp6 d16 (p1 ph2) 50u p16:gp3 d16 (p3 ph3):f2 d0 (p2 ph5) d0 50u p16:gp1*EA d16 pl0:f2 d12 (p24:sp7 ph4):f2 DELTA pl2:f2 (p3 ph4):f2 50u p16:gp4 d16 (p1 ph1):f1 DELTA1 pl1:f1 (p2 ph1) 50u p16:gp2 d16 #ifdef hobs ACQ_START(ph30,ph31) 0.05u DWL_CLK_ON 0.1u REC_UNBLK d3 0.05u DWL_CLK_OFF 0.1u REC_BLK p19:gp8 d16 pl1:f1 (p2 ph8):f1 p19:gp8 d16 p19:gp7 d16 pl0:f1 (p12:sp2 ph7):f1 p19:gp7 d16 4 0.05u DWL_CLK_ON 0.1u REC_UNBLK d2:r 0.05u DWL_CLK_OFF 0.1u REC_BLK p19:gp8 d16 pl1:f1 (p2 ph8):f1 p19:gp8 d16 p19:gp7 d16 pl0:f1 (p12:sp2 ph7):f1 p19:gp7 d16 lo to 4 times l1 0.05u DWL_CLK_ON 0.1u REC_UNBLK d3 15m 0.05u DWL_CLK_OFF 0.1u REC_BLK 5 rcyc=2 #else go=2 ph31 #endif d1 mc #0 to 2 F1EA(igrad EA, id0 & ip3*2 & ip6*2 & ip31*2) exit ph1=0 ph2=1 ph3=0 2 ph4=0 0 2 2 ph5=0 ph6=0 ph7=0 ph8=0 ph30=0 ph31=0 2 0 2 ;pl1 : f1 channel - power level for pulse (default) ;pl2 : f2 channel - power level for pulse (default) ;p1 : f1 channel - high power pulse ;p11 : f1 channel - 90 degree band-selective pulse [ms] ;p12 : f1 channel - 180 degree band-selective pulse [ms] ;p16: homospoil/gradient pulse [1 ms] ;p14: f2 channel - 180 degree shaped pulse for inversion ;p24: f2 channel - 180 degree shaped pulse for refocussing ;sp1: f1 channel - shaped pulse power level for 90 degree band-selective excitation ;sp2: f1 channel - shaped pulse power level for 180 degree band-selective excitation ;spnam1: shaped pulse for 90 degree selective excitation [REBURP] ;spnam2: shaped pulse for 180 degree selective excitation [REBURP] ;d0 : incremented delay (2D) ;d1 : relaxation delay; 1-5 * T1 ;d4 : 1/(4J)XH ;d16: delay for homospoil/gradient recovery ;cnst2: = 1J(XH) ;NS: 1 * n ;DS: 16;td1: number of experiments ;FnMODE: echo-antiecho ;l1: number of concatenated loops ;use gradient ratio: gp 1 : gp 2 ; 80 : 20.1 for C-13 ; 80 : 8.1 for N-15 ;for z-only gradients: ;gpz1: 80% ;gpz2: 20.1% for C-13, 8.1% for N-15 ;use gradient files: ;gpnam1: SINE.100 ;gpnam2: SINE.100