2D CC-CTUC Solids

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Revision as of 21:41, 3 September 2008 (edit) Trent Franks (Talk | contribs) ← Previous diff		Current revision (16:20, 16 April 2009) (edit) (undo) Evgeny Fadeev (Talk | contribs)
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Line 1:		Line 1:
	{{pulse-sequence		{{pulse-sequence
-	|name=hCC-2D-DARR	+	|name=hCC-2D-CTUC COSY
-	|synopsis=Simple Carbon or Nitrogen 2D experiment with DARR (RAD) broadband mixing	+	|synopsis=Constant-time Through-bond Carbon 2D correlation experiments
-	|author=L. Chen, D.W. Elliot, J.M. Boetcher, D.H. Zhou, C.M. Rienstra, L.J. Mueller	+	|author=Lindsay Sperling, Gemma Commellas, Trent Franks, Chad Rienstra
	|code=I+CTUC_COSY.txt		|code=I+CTUC_COSY.txt
	|source=UIUC		|source=UIUC
-	|family=[[solids]]	+	|family=[[2D COSY]]
	|platform=Varian		|platform=Varian
	|console=Infinity Plus		|console=Infinity Plus
Line 14:		Line 14:
	|observe=C		|observe=C
	}}		}}
-	<pulse>	+	===Implementation===
-	anchors: @a,a1,a2 @b,b1 @c @c1,d,d1 @e @f @g @h,h1,h2,h3 @i	+	Proton to Carbon CP followed by scalar coupling modulated homonuclear mixing with rSNOB soft pulses and independent [http://nmrwiki.org/wiki/index.php?title=SPINAL SPINAL] decoupling periods during mixing and acquisition.
-	disp: 4@a 5@b 7@c 7@d 1@e 7@f 7@g 4@h 10@i	+
-	time: rlx @a t1 @b t2 @c t3 @d t4 @e t5 @f t5 @g t6 @h d @i	+	All needed files were catenated together, and so must be separated. The file CTUC_COSY.acq is the first block of text after the author contributions. CTUC_COSY.s begins with
		+	:name "2D_CC_shell";
		+	and ends with
		+	:return;
-	rf H: 90@a wp@a1,b wp@b1--h wp@h1--i	+	The next several files should be separated and placed in /export/homes/USERNAME/pulse_sequences/cpc/includes. Each new file begins with a long comment section.
-	rf 13C: wp@a2,b 180@c 90@d 90@e 180@f 90@g 90@h acq@h2---------i	+	The files [[media:Acq.inc.txt|acq.inc]], CTUC_COSY.acq, CTUC_COSY.s, [[media:Rsnob.inc.txt|rSNOB_063108.inc]],[[media:Rsnob2.inc.txt|rSNOB_delay2.inc]], [[media:SPC5.inc.txt|SPC5.inc]], [[media:SPINAL1.inc.txt|SPINAL1.inc]], [[media:SPINAL2.inc.txt|SPINAL2.inc]], STANDARD_PARAMS, std_errs.inc, [[media:T1.inc.txt|t1.inc]], [[media:T2.inc.txt|t2.inc]], TAN_CP.inc, and TWO_D.inc should be created from this file.
-	rf 15N: wp@h3,i	+
-	delay t1: show_at=13C label=ct	+	===CO-CA Version===
		+
		+	The hard pulse version of the experiment can be used if soft_pulse_flag=0 and ipap_flag=0.
		+
		+	<pulse title="image of CO-CA version of 2D CC-CTUC pulse sequence for solids">
		+	anchors: @a,a1,a2 @b,b1 @c @c1,d,d1 @e @f @g @h------h1 @i
		+	disp: 4@a 5@b 7@c 7@d 1@e 7@f 7@g 4@h 10@i
		+	time: rlx @a t1 @b t2 @c t3 @d t4 @e t5 @f t5 @g t6 @h d @i
		+
		+	rf H: 90@a=phy wp@a1,b=posramp wp@b1--------------------------------------------------g=fulldec wp@h1----i=acqdec
		+	rf 13C: wp@a2,b=irr 180@c=phx 90@d=phy 90@e=phx 180@f=phy 90@g=phx 90@h=phmx acq@h1----i
		+	rf 15N: wp@h1----i
		+
		+	delay t1: show_at=13C label=ct label_yoffset=-30
	delay t2: show_at=13C label=\tau-\frac{t_1}{2}		delay t2: show_at=13C label=\tau-\frac{t_1}{2}
	delay t3: show_at=13C label=\tau+\frac{t_1}{2}		delay t3: show_at=13C label=\tau+\frac{t_1}{2}
-	delay t4: hide=true	+	delay t4: hide=true label=t4
	delay t5: show_at=13C label=\tau		delay t5: show_at=13C label=\tau
	delay t6: show_at=13C label=\tau_{zf}		delay t6: show_at=13C label=\tau_{zf}
		+
		+	pulse p1: phase=phi1
		+
		+	pulse phx: phase=px
		+	pulse phmx: phase=mx
		+	pulse phy: phase=py
		+
		+	phase px: label=x
		+	phase py: label=y
		+	phase mx: label=-x
	delay rlx: hide=true		delay rlx: hide=true
Line 38:		Line 63:
	pulse p1: phase=phi1		pulse p1: phase=phi1
		+	wp irr: h1=65 label=x
		+	wp posramp: h1=65 h2=95 label=x
		+	wp fulldec: h1=100 label=SPINAL
		+	wp acqdec: h1=75 label=SPINAL
	acq: phase=phi2 type=fid		acq: phase=phi2 type=fid
Line 44:		Line 73:
	</pulse>		</pulse>
-	<pulse>	+	===Aliphatic Version===
-	anchors: @a,a1,a2 @b,b1 @c @c1,d,d1 @e @f @g @h,h1,h2,h3 @i,i2 @j	+
-	disp: 4@a 5@b 10@c 5@d 10@e 1@f 10@g 10@h 4@i 10@j	+
-	time: rlx @a t1 @b t2 @c t3 @d t4 @e t5 @f t5 @g t6 @h d @i d @j	+
-	rf H: 90@a wp@a1,b wp@b1--h wp@h1--j	+	The soft pulse version of the experiment can be used if soft_pulse_flag=1 and ipap_flag=0.
-	rf 13Cali: wp@a2,b shp@c 90@e 90@f shp@g 90@h 90@i acq@i2---------j	+
-	rf 13CO: wp@a2,b shp@d 90@e 90@f 90@h 90@i	+
-	rf 15N: wp@h3,j	+
-	delay t1: show_at=13Cali label=ct	+	<pulse title="image of adiabatic version of 2D CC-CTUC pulse sequence for solids">
		+	anchors: @a,a1,a2 @b,b1 @c @c1,d,d1 @e @f @g @h,h1,h2,h3 @i,i1,i2,i3 @j
		+	disp: 4@a 5@b 7@c 7@d 7@e 1@f 5@g 5@h 4@i 10@j
		+	time: rlx @a t1 @b t2 @c t3 @d t4 @e t5 @f t4 @g t4 @h t6 @i d @j
		+
		+	rf H: 90@a wp@a1,b wp@b1--h=fulldec wp@i1--j=acqdec
		+	rf 13Cali: wp@a2,b=posramp shp@c 90@e 90@f shp@g 90@h 90@i acq@i2---------j
		+	rf 13CO: wp@a2,b=posramp shp@d 90@e 90@f 90@h 90@i
		+	rf 15N: wp@i3,j
		+
		+	delay t1: show_at=13Cali label=ct label_yoffset=-30
	delay t2: show_at=13Cali label=\tau-\frac{t_1}{2}		delay t2: show_at=13Cali label=\tau-\frac{t_1}{2}
	delay t3: show_at=13Cali label=\tau+\frac{t_1}{2}		delay t3: show_at=13Cali label=\tau+\frac{t_1}{2}
-	delay t4: hide=true	+	delay t4: show_at=13Cali label=\tau
-	delay t5: show_at=13Cali label=\tau	+	delay t5: hide=true
	delay t6: show_at=13Cali label=\tau_{zf}		delay t6: show_at=13Cali label=\tau_{zf}
Line 71:		Line 104:
	pulse p1: phase=phi1		pulse p1: phase=phi1
	acq: phase=phi2 type=fid		acq: phase=phi2 type=fid
		+
		+	wp posramp: h1=65 h2=95
		+	wp fulldec: h1=100 label=SPINAL
		+	wp acqdec: h1=75 label=SPINAL
	phase phi1: table=0,2 label=\phi_1		phase phi1: table=0,2 label=\phi_1
	phase phi2: label=\phi_2 table=1,3		phase phi2: label=\phi_2 table=1,3
	</pulse>		</pulse>
		+
		+	===CACO IPAP (IP) Version===
		+
		+	The IP version of the experiment can be used if soft_pulse_flag=0 and ipap_flag=0, with the carrier placed on resonance with the Carbonyl frequency.
		+
		+	<pulse title="image of CACO IPAP in-phase version of 2D CC-CTUC pulse sequence for solids">
		+	anchors: @a,a1,a2 @b,b1 @c @c1,d,d1 @e @f @g @h------h1 @i
		+	disp: 4@a 5@b 7@c 7@d 1@e 7@f 7@g 4@h 10@i
		+	time: rlx @a t1 @b t2 @c t3 @d t4 @e t5 @f t5 @g t6 @h d @i
		+
		+	rf H: 90@a wp@a1,b=irr wp@b1--------------------------------------g=fulldec wp@h1----i=acqdec
		+	rf 13C: wp@a2,b=posramp 180@c 90@d 90@e 180@f 90@g 90@h acq@h1----i
		+	rf 15N: wp@h1----i
		+
		+	delay t1: show_at=13C label=ct label_yoffset=-30
		+	delay t2: show_at=13C label=\tau_1-\frac{t_1}{2}
		+	delay t3: show_at=13C label=\tau_1+\frac{t_1}{2}
		+	delay t4: hide=true
		+	delay t5: show_at=13C label=\tau_2
		+	delay t6: show_at=13C label=\tau_{zf}
		+
		+	delay rlx: hide=true
		+	delay d: hide=true
		+
		+	rfchan 13C: label=^{13}C
		+	rfchan 15N: label=^{15}N
		+	rfchan H: label=^1H
		+
		+	pulse p1: phase=phi1
		+	wp irr: h1=65
		+	wp posramp: h1=65 h2=95
		+	wp fulldec: h1=100 label=SPINAL
		+	wp acqdec: h1=75 label=SPINAL
		+	acq: phase=phi2 type=fid
		+
		+	phase phi1: table=0,2 label=\phi_1
		+	phase phi2: label=\phi_2 table=1,3
		+	</pulse>
		+
		+	===CACO IPAP (AP) Version===
		+
		+	The AP version of the experiment can be used if ipap_flag=1 (independent of soft_pulse_flag), with the carrier placed on resonance with the Carbonyl frequency.
		+
		+	<pulse title="image of CACO IPAP anti-phase version of 2D CC-CTUC pulse sequence for solids">
		+	anchors: @a,a1,a2 @b,b1 @c @c1,d,d1 @e @f @g @h------h1 @i
		+	disp: 4@a 5@b 7@c 7@d 1@e 7@f 7@g 4@h 10@i
		+	time: rlx @a t1 @b t2 @c t3 @d t4 @e t5 @f t5 @g t6 @h d @i
		+
		+	rf H: 90@a wp@a1,b=irr wp@b1--------------------------------------g=fulldec wp@h1----i=acqdec
		+	rf 13C: wp@a2,b=posramp 180@c 90@d 90@e shp@f=COsoft acq@h1----i
		+	rf 15N: wp@h1----i
		+
		+	delay t1: show_at=13C label=ct label_yoffset=-30
		+	delay t2: show_at=13C label=\tau_1-\frac{t_1}{2}
		+	delay t3: show_at=13C label=\tau_1+\frac{t_1}{2}
		+	delay t4: hide=true
		+	delay t5: show_at=13C label=\tau_2
		+	delay t6: show_at=13C label=\tau_{zf}
		+
		+	delay rlx: hide=true
		+	delay d: hide=true
		+
		+	rfchan 13C: label=^{13}C
		+	rfchan 15N: label=^{15}N
		+	rfchan H: label=^1H
		+
		+	pulse p1: phase=phi1
		+	wp irr: h1=65
		+	wp posramp: h1=65 h2=95
		+	wp fulldec: h1=100 label=SPINAL
		+	wp acqdec: h1=75 label=SPINAL
		+	acq: phase=phi2 type=fid
		+
		+	phase phi1: table=0,2 label=\phi_1
		+	phase phi2: label=\phi_2 table=1,3
		+	</pulse>
		+
		+
		+	==References==
		+	<biblio>
		+	#bbCTUC bibtex=@article{chen2006edr,
		+	title={{Constant-Time Through-Bond ^{13}C Correlation Spectroscopy for Assigning Protein Resonances with Solid-State NMR Spectroscopy}},
		+	author={Chen, L and Olson, RA and Elliot, DW and Boettcher, JM and Zhou, DH and Rienstra, CM and Mueller, LJ},
		+	journal={J. Am. Chem. Soc.},
		+	volume={128},
		+	number={31},
		+	pages={9992--9993},
		+	year={2006},
		+	publisher={ACS},
		+	url={http://dx.doi.org/10.1021/ja062347t}
		+	}
		+	#ipapCTUC bibtex=@article{hohwy1998bdr,
		+	title={{J-based 2D homonuclear and heteronuclear correlation in solid-state proteins}},
		+	author={Chen, L and Kaiser, JM and Lai, J and Polenova, T and Yang, J and Rienstra, CM and Mueller, LJ},
		+	journal={Magn. Reson. Chem.},
		+	volume={45 suppl.},
		+	pages={s84-s92},
		+	year={2007},
		+	publisher={Wiley},
		+	url={http://dx.doi.org/DOI:10.1002/mrc.2107}
		+	}
		+	</biblio>
		+	[[Category:Pulse sequence drawing]]
		+	[[Category:MAS]]
		+	[[Category:COSY]]
		+	[[Category:ChemMagnetics]]

---

Current revision

Name: hCC-2D-CTUC COSY
Experiment family/families: 2D COSY
Synopsis: Constant-time Through-bond Carbon 2D correlation experiments
Implementation author(s): Lindsay Sperling, Gemma Commellas, Trent Franks, Chad Rienstra
Copyright: not assigned
Console: Varian, Infinity Plus, 500 MHz
Download: code, no sample/parameter data yet

Implementation

Proton to Carbon CP followed by scalar coupling modulated homonuclear mixing with rSNOB soft pulses and independent SPINAL decoupling periods during mixing and acquisition.

All needed files were catenated together, and so must be separated. The file CTUC_COSY.acq is the first block of text after the author contributions. CTUC_COSY.s begins with

name "2D_CC_shell";

and ends with

return;

The next several files should be separated and placed in /export/homes/USERNAME/pulse_sequences/cpc/includes. Each new file begins with a long comment section. The files acq.inc, CTUC_COSY.acq, CTUC_COSY.s, rSNOB_063108.inc,rSNOB_delay2.inc, SPC5.inc, SPINAL1.inc, SPINAL2.inc, STANDARD_PARAMS, std_errs.inc, t1.inc, t2.inc, TAN_CP.inc, and TWO_D.inc should be created from this file.

CO-CA Version

The hard pulse version of the experiment can be used if soft_pulse_flag=0 and ipap_flag=0.

Aliphatic Version

The soft pulse version of the experiment can be used if soft_pulse_flag=1 and ipap_flag=0.

CACO IPAP (IP) Version

The IP version of the experiment can be used if soft_pulse_flag=0 and ipap_flag=0, with the carrier placed on resonance with the Carbonyl frequency.

CACO IPAP (AP) Version

The AP version of the experiment can be used if ipap_flag=1 (independent of soft_pulse_flag), with the carrier placed on resonance with the Carbonyl frequency.

References

1. Chen, L and Olson, RA and Elliot, DW and Boettcher, JM and Zhou, DH and Rienstra, CM and Mueller, LJ. Constant-Time Through-Bond ^{13}C Correlation Spectroscopy for Assigning Protein Resonances with Solid-State NMR Spectroscopy. J Am Chem Soc 128(31):9992--9993, 2006. BibTeX [bbCTUC]

2. Chen, L and Kaiser, JM and Lai, J and Polenova, T and Yang, J and Rienstra, CM and Mueller, LJ. J-based 2D homonuclear and heteronuclear correlation in solid-state proteins. Magn Reson Chem 45 suppl.:s84-s92, 2007. BibTeX [ipapCTUC]