;saps-hsqc-si (Spectral Aliased Pure Shift HSQC sensitiviy-improved) ;2D Experiment ;2D H-1/X correlation via double inept transfer ; using sensitivity emprovement ;phase sensitive using Echo/Antiecho-TPPI gradient selection ;with decoupling during acquisition ;using trim pulses in inept transfer ;using shaped pulses for inversión and refocusing on f2-channel ;Avance III version (8/04/2014) ;Topspin3.1 ;"Simultaneous 1H and 13C NMR enantiodifferentiation from highly-resolved pure shift HSQC spectra" by ;Míriam Pérez-Trujillo, Laura Castañar, Eva Monteagudo, Lars T. Kuhn, Pau Nolis, Albert Virgili, R. Thomas Williamson and Teodor Parella ;Chemical Communications (2014). DOI:10.1039/C4CC04077E #include #include #include #include #define ps define loopcounter count "d11=30m" "p4=p3*2" "d4=1s/(cnst2*4)" "d2=d4*2" "d11=30m" "d13=4u" "d0=3u" "in0=inf1/2" "d20=d2-larger(p2,p14)/2" "DELTA2=p16+d16+d0*2+p2" "DELTA3=d4-p16-larger(p2,p14)/2" "DELTA4=p16+d16" "d19=dw*l12" "DELTA7=d19/2" "DELTA=d4-larger(p2,p14)/2" "count=(aq/d19)-1" "p2=p1*2" "acqt0=0" baseopt_echo dwellmode explicit 1 ze d11 pl12:f2 2 d1 do:f2 3 (p1 ph1) DELTA pl0:f2 (center (p2 ph1) (p14:sp3 ph6):f2) DELTA pl2:f2 p28 ph1 d12 UNBLKGRAD (p1 ph2)(p3 ph3):f2 d0 (p2 ph4) d0 p16:gp1 d16 pl0:f2 (p24:sp7 ph4):f2 DELTA2 pl2:f2 (ralign (p3 ph4):f2 (p1 ph1) ) d4 (center (p2 ph1) (p4 ph1):f2 ) d4 (center (p1 ph2) (p3 ph8):f2 ) DELTA pl0:f2 (center (p2 ph1) (p14:sp3 ph1):f2 ) DELTA pl2:f2 p1 ph1 DELTA4 p2 ph1 p16:gp2*EA d16 BLKGRAD #ifdef ps 4 ACQ_START(ph30,ph31) ;takes de ;initial half chunk 10u pl12:f2 10u cpd2:f2 10u REC_UNBLK 10u DWL_CLK_ON DELTA7 10u DWL_CLK_OFF 10u REC_BLK 10u do:f2 10u (p1 ph1) d20 pl0:f2 (center (p2 ph2) (p14:sp3 ph1):f2 ) d20 pl2:f2 (p1 ph7) 160u (p2 ph1) ;looped chunks 5 10u pl12:f2 10u cpd2:f2 10u REC_UNBLK 10u DWL_CLK_ON d19 10u DWL_CLK_OFF 10u REC_BLK 10u do:f2 10u (p1 ph1) d20 pl0:f2 (center (p2 ph2) (p14:sp3 ph1):f2 ) d20 pl1:f1 pl2:f2 (p1 ph7) 160u (p2 ph1) lo to 5 times count 10u pl12:f2 10u cpd2:f2 10u REC_UNBLK 10u DWL_CLK_ON DELTA7 10u DWL_CLK_OFF 10u REC_BLK 10u do:f2 10u 50u rcyc=2 #else d12 pl12:f2 go=2 ph31 cpd2:f2 #endif d1 do:f2 mc #0 to 2 F1EA(calgrad(EA) & calph(ph8, +180), caldel(d0, +in0) & calph(ph3, +180) & calph(ph6, +180) & calph(ph31, +180)) exit ph1=0 ph2=1 ph3=0 2 ph4=0 0 2 2 ph5=0 0 2 2 ph6=0 ph7=2 ph8=1 1 3 3 ph30=0 ph31=0 2 2 0 ;pl1 : f1 channel - power level for pulse (default) ;pl2 : f2 channel - power level for pulse (default) ;pl12: f2 channel - power level for CPD/BB decoupling ;p1 : f1 channel - 90 degree high power pulse ;p2 : f1 channel - 180 degree high power pulse ;p3 : f2 channel - 90 degree high power pulse ;p4 : f2 channel - 180 degree high power pulse ;p14: 13C 180º inversion pulse [500 us] ;p16: homospoil/gradient pulse [1000 us] ;p24: 13C 180º refocusing pulse [2000 us] ;p28: f1 channel - trim pulse ;d0 : incremented delay (2D) [3 usec] ;d1 : relaxation delay; 1-5 * T1 ;d4 : 1/(4J)XH ;d11: delay for disk I/O [30 msec] ;d13: short delay [4 usec] ;d16: delay for homospoil/gradient recovery [20 usec] ;cnst2: = J(XH) ;inf1: 1/SW(X) = 2 * DW(X) ;in0: 1/(2 * SW(X)) = DW(X) ;nd0: 2 ;NS: 2 * n ;DS: >= 2 ;td1: number of experiments ;FnMODE: echo-antiecho ;cpd2: decoupling according to sequence defined by cpdprg2 ;pcpd2: f2 channel - 90 degree pulse for decoupling sequence ;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 ;use gradient files: ;gpnam1: SINE.100 ;gpnam2: SINE.100