2-d correlation Search Results


vic-2d software  (Correlated Solutions Inc)
90
Correlated Solutions Inc vic-2d software
Vic 2d Software, supplied by Correlated Solutions Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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vic-2d software - by Bioz Stars, 2026-04
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2d h-1/x correlation via trosy  (Biomol GmbH)
90
Biomol GmbH 2d h-1/x correlation via trosy
2d H 1/X Correlation Via Trosy, supplied by Biomol GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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2-d fragment correlation ms  (Amgen)
90
Amgen 2-d fragment correlation ms
2 D Fragment Correlation Ms, supplied by Amgen, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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1 h detected transferred-echo double resonance (tedor)-based 15 n selectively filtered 2d correlations  (Tedor Pharma)
90
Tedor Pharma 1 h detected transferred-echo double resonance (tedor)-based 15 n selectively filtered 2d correlations
(A) Four states of histidine: left to right, charged state, neutral τ tautomer, anionic τ tautomer, and anionic π tautomer. (B) Pulse sequence for the 1 H-detected TEDOR-based 15 N selective filtered experiment. T r is <t>the</t> <t>MAS</t> rotor period, τ mix is the total TEDOR mixing time. The phase on the individual pulses are: φ1 = 16 × (0) 16 × (2), φ2 = 1, φ3 = 0,φ4 = 0, φ5 = 0213 2031, φ6 = 2, φ7 = 0, φ8 = 02, φ9 = 1133, φ10 = 4 × (0) 4 × (1) 4 × (2) 4 × (3), φ11 = 4 × (1) 4 × (0), φ12 = 4 × (1) 4 × (0) 4 × (1) 4 × (0) 4 × (3) 4 × (2) 4 × (3) 4 × (2), φrec = 3113 0220 1331 2002, where 0 = x , 1 = y , 2 = – x , and 3 = – y . Δ is set to one rotor period during which 1 H rf field of ω r amplitude is applied for effective Z-filtering. MISSISSIPPI water suppression sequence is applied during Δ′ time period. (C) Synthetic 1 H-detected TEDOR-based 15 N selective filtered CH HETCOR spectra showing cross peaks expected for each tautomer. Left to right, soft pulse turned off, soft pulse at 170 ppm, soft pulse at 250 ppm. The filtering patterns for neutral and anionic τ tautomers are identical. (D) 15 N (top) and 13 C (bottom) CPMAS NMR spectra of crystalline histidine. (E) Aromatic region expansion of <t>2D</t> NCA spectrum of crystalline histidine. (F) 1D 13 C spectra using TEDOR-based 15 N selective filtering in the aromatic region. Top to bottom, soft pulse turned off; soft pulse at 250 ppm; soft pulse at 170 ppm. (G) Three complementary 1 H-detected TEDOR-based 15 N selective filtered CH HETCOR spectra. Left to right, soft pulse turned off, soft pulse at 170 ppm, soft pulse at 250 ppm. The MAS frequency was 60 kHz in all experiments. Signals of charged state are shown in purple, neutral τ tautomer – in magenta, anionic τ tautomer - in grey, and anionic π tautomer – in teal.
1 H Detected Transferred Echo Double Resonance (Tedor) Based 15 N Selectively Filtered 2d Correlations, supplied by Tedor Pharma, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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homonuclear j-resolved 2d correlation with presaturation during relaxation delay using gradients  (Bruker Corporation)
90
Bruker Corporation homonuclear j-resolved 2d correlation with presaturation during relaxation delay using gradients
(A) Four states of histidine: left to right, charged state, neutral τ tautomer, anionic τ tautomer, and anionic π tautomer. (B) Pulse sequence for the 1 H-detected TEDOR-based 15 N selective filtered experiment. T r is <t>the</t> <t>MAS</t> rotor period, τ mix is the total TEDOR mixing time. The phase on the individual pulses are: φ1 = 16 × (0) 16 × (2), φ2 = 1, φ3 = 0,φ4 = 0, φ5 = 0213 2031, φ6 = 2, φ7 = 0, φ8 = 02, φ9 = 1133, φ10 = 4 × (0) 4 × (1) 4 × (2) 4 × (3), φ11 = 4 × (1) 4 × (0), φ12 = 4 × (1) 4 × (0) 4 × (1) 4 × (0) 4 × (3) 4 × (2) 4 × (3) 4 × (2), φrec = 3113 0220 1331 2002, where 0 = x , 1 = y , 2 = – x , and 3 = – y . Δ is set to one rotor period during which 1 H rf field of ω r amplitude is applied for effective Z-filtering. MISSISSIPPI water suppression sequence is applied during Δ′ time period. (C) Synthetic 1 H-detected TEDOR-based 15 N selective filtered CH HETCOR spectra showing cross peaks expected for each tautomer. Left to right, soft pulse turned off, soft pulse at 170 ppm, soft pulse at 250 ppm. The filtering patterns for neutral and anionic τ tautomers are identical. (D) 15 N (top) and 13 C (bottom) CPMAS NMR spectra of crystalline histidine. (E) Aromatic region expansion of <t>2D</t> NCA spectrum of crystalline histidine. (F) 1D 13 C spectra using TEDOR-based 15 N selective filtering in the aromatic region. Top to bottom, soft pulse turned off; soft pulse at 250 ppm; soft pulse at 170 ppm. (G) Three complementary 1 H-detected TEDOR-based 15 N selective filtered CH HETCOR spectra. Left to right, soft pulse turned off, soft pulse at 170 ppm, soft pulse at 250 ppm. The MAS frequency was 60 kHz in all experiments. Signals of charged state are shown in purple, neutral τ tautomer – in magenta, anionic τ tautomer - in grey, and anionic π tautomer – in teal.
Homonuclear J Resolved 2d Correlation With Presaturation During Relaxation Delay Using Gradients, supplied by Bruker Corporation, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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2d heteronuclear correlation mas experiments cp-mas hetcor  (Tedor Pharma)
90
Tedor Pharma 2d heteronuclear correlation mas experiments cp-mas hetcor
(A) Four states of histidine: left to right, charged state, neutral τ tautomer, anionic τ tautomer, and anionic π tautomer. (B) Pulse sequence for the 1 H-detected TEDOR-based 15 N selective filtered experiment. T r is <t>the</t> <t>MAS</t> rotor period, τ mix is the total TEDOR mixing time. The phase on the individual pulses are: φ1 = 16 × (0) 16 × (2), φ2 = 1, φ3 = 0,φ4 = 0, φ5 = 0213 2031, φ6 = 2, φ7 = 0, φ8 = 02, φ9 = 1133, φ10 = 4 × (0) 4 × (1) 4 × (2) 4 × (3), φ11 = 4 × (1) 4 × (0), φ12 = 4 × (1) 4 × (0) 4 × (1) 4 × (0) 4 × (3) 4 × (2) 4 × (3) 4 × (2), φrec = 3113 0220 1331 2002, where 0 = x , 1 = y , 2 = – x , and 3 = – y . Δ is set to one rotor period during which 1 H rf field of ω r amplitude is applied for effective Z-filtering. MISSISSIPPI water suppression sequence is applied during Δ′ time period. (C) Synthetic 1 H-detected TEDOR-based 15 N selective filtered CH HETCOR spectra showing cross peaks expected for each tautomer. Left to right, soft pulse turned off, soft pulse at 170 ppm, soft pulse at 250 ppm. The filtering patterns for neutral and anionic τ tautomers are identical. (D) 15 N (top) and 13 C (bottom) CPMAS NMR spectra of crystalline histidine. (E) Aromatic region expansion of <t>2D</t> NCA spectrum of crystalline histidine. (F) 1D 13 C spectra using TEDOR-based 15 N selective filtering in the aromatic region. Top to bottom, soft pulse turned off; soft pulse at 250 ppm; soft pulse at 170 ppm. (G) Three complementary 1 H-detected TEDOR-based 15 N selective filtered CH HETCOR spectra. Left to right, soft pulse turned off, soft pulse at 170 ppm, soft pulse at 250 ppm. The MAS frequency was 60 kHz in all experiments. Signals of charged state are shown in purple, neutral τ tautomer – in magenta, anionic τ tautomer - in grey, and anionic π tautomer – in teal.
2d Heteronuclear Correlation Mas Experiments Cp Mas Hetcor, supplied by Tedor Pharma, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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2d 13 c– 1 h long-range correlation (heteronuclear multiple bond coherence, hmbc) spectra  (Bruker Corporation)
90
Bruker Corporation 2d 13 c– 1 h long-range correlation (heteronuclear multiple bond coherence, hmbc) spectra
(A) Four states of histidine: left to right, charged state, neutral τ tautomer, anionic τ tautomer, and anionic π tautomer. (B) Pulse sequence for the 1 H-detected TEDOR-based 15 N selective filtered experiment. T r is <t>the</t> <t>MAS</t> rotor period, τ mix is the total TEDOR mixing time. The phase on the individual pulses are: φ1 = 16 × (0) 16 × (2), φ2 = 1, φ3 = 0,φ4 = 0, φ5 = 0213 2031, φ6 = 2, φ7 = 0, φ8 = 02, φ9 = 1133, φ10 = 4 × (0) 4 × (1) 4 × (2) 4 × (3), φ11 = 4 × (1) 4 × (0), φ12 = 4 × (1) 4 × (0) 4 × (1) 4 × (0) 4 × (3) 4 × (2) 4 × (3) 4 × (2), φrec = 3113 0220 1331 2002, where 0 = x , 1 = y , 2 = – x , and 3 = – y . Δ is set to one rotor period during which 1 H rf field of ω r amplitude is applied for effective Z-filtering. MISSISSIPPI water suppression sequence is applied during Δ′ time period. (C) Synthetic 1 H-detected TEDOR-based 15 N selective filtered CH HETCOR spectra showing cross peaks expected for each tautomer. Left to right, soft pulse turned off, soft pulse at 170 ppm, soft pulse at 250 ppm. The filtering patterns for neutral and anionic τ tautomers are identical. (D) 15 N (top) and 13 C (bottom) CPMAS NMR spectra of crystalline histidine. (E) Aromatic region expansion of <t>2D</t> NCA spectrum of crystalline histidine. (F) 1D 13 C spectra using TEDOR-based 15 N selective filtering in the aromatic region. Top to bottom, soft pulse turned off; soft pulse at 250 ppm; soft pulse at 170 ppm. (G) Three complementary 1 H-detected TEDOR-based 15 N selective filtered CH HETCOR spectra. Left to right, soft pulse turned off, soft pulse at 170 ppm, soft pulse at 250 ppm. The MAS frequency was 60 kHz in all experiments. Signals of charged state are shown in purple, neutral τ tautomer – in magenta, anionic τ tautomer - in grey, and anionic π tautomer – in teal.
2d 13 C– 1 H Long Range Correlation (Heteronuclear Multiple Bond Coherence, Hmbc) Spectra, supplied by Bruker Corporation, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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2d homonuclear shift correlation with presaturation during relaxation delay (cosy; cosyprqf)  (Bruker Corporation)
90
Bruker Corporation 2d homonuclear shift correlation with presaturation during relaxation delay (cosy; cosyprqf)
(A) Four states of histidine: left to right, charged state, neutral τ tautomer, anionic τ tautomer, and anionic π tautomer. (B) Pulse sequence for the 1 H-detected TEDOR-based 15 N selective filtered experiment. T r is <t>the</t> <t>MAS</t> rotor period, τ mix is the total TEDOR mixing time. The phase on the individual pulses are: φ1 = 16 × (0) 16 × (2), φ2 = 1, φ3 = 0,φ4 = 0, φ5 = 0213 2031, φ6 = 2, φ7 = 0, φ8 = 02, φ9 = 1133, φ10 = 4 × (0) 4 × (1) 4 × (2) 4 × (3), φ11 = 4 × (1) 4 × (0), φ12 = 4 × (1) 4 × (0) 4 × (1) 4 × (0) 4 × (3) 4 × (2) 4 × (3) 4 × (2), φrec = 3113 0220 1331 2002, where 0 = x , 1 = y , 2 = – x , and 3 = – y . Δ is set to one rotor period during which 1 H rf field of ω r amplitude is applied for effective Z-filtering. MISSISSIPPI water suppression sequence is applied during Δ′ time period. (C) Synthetic 1 H-detected TEDOR-based 15 N selective filtered CH HETCOR spectra showing cross peaks expected for each tautomer. Left to right, soft pulse turned off, soft pulse at 170 ppm, soft pulse at 250 ppm. The filtering patterns for neutral and anionic τ tautomers are identical. (D) 15 N (top) and 13 C (bottom) CPMAS NMR spectra of crystalline histidine. (E) Aromatic region expansion of <t>2D</t> NCA spectrum of crystalline histidine. (F) 1D 13 C spectra using TEDOR-based 15 N selective filtering in the aromatic region. Top to bottom, soft pulse turned off; soft pulse at 250 ppm; soft pulse at 170 ppm. (G) Three complementary 1 H-detected TEDOR-based 15 N selective filtered CH HETCOR spectra. Left to right, soft pulse turned off, soft pulse at 170 ppm, soft pulse at 250 ppm. The MAS frequency was 60 kHz in all experiments. Signals of charged state are shown in purple, neutral τ tautomer – in magenta, anionic τ tautomer - in grey, and anionic π tautomer – in teal.
2d Homonuclear Shift Correlation With Presaturation During Relaxation Delay (Cosy; Cosyprqf), supplied by Bruker Corporation, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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ls spectrometer with 2d pseudo correlation mode  (LS Instruments AG)
90
LS Instruments AG ls spectrometer with 2d pseudo correlation mode
(A) Four states of histidine: left to right, charged state, neutral τ tautomer, anionic τ tautomer, and anionic π tautomer. (B) Pulse sequence for the 1 H-detected TEDOR-based 15 N selective filtered experiment. T r is <t>the</t> <t>MAS</t> rotor period, τ mix is the total TEDOR mixing time. The phase on the individual pulses are: φ1 = 16 × (0) 16 × (2), φ2 = 1, φ3 = 0,φ4 = 0, φ5 = 0213 2031, φ6 = 2, φ7 = 0, φ8 = 02, φ9 = 1133, φ10 = 4 × (0) 4 × (1) 4 × (2) 4 × (3), φ11 = 4 × (1) 4 × (0), φ12 = 4 × (1) 4 × (0) 4 × (1) 4 × (0) 4 × (3) 4 × (2) 4 × (3) 4 × (2), φrec = 3113 0220 1331 2002, where 0 = x , 1 = y , 2 = – x , and 3 = – y . Δ is set to one rotor period during which 1 H rf field of ω r amplitude is applied for effective Z-filtering. MISSISSIPPI water suppression sequence is applied during Δ′ time period. (C) Synthetic 1 H-detected TEDOR-based 15 N selective filtered CH HETCOR spectra showing cross peaks expected for each tautomer. Left to right, soft pulse turned off, soft pulse at 170 ppm, soft pulse at 250 ppm. The filtering patterns for neutral and anionic τ tautomers are identical. (D) 15 N (top) and 13 C (bottom) CPMAS NMR spectra of crystalline histidine. (E) Aromatic region expansion of <t>2D</t> NCA spectrum of crystalline histidine. (F) 1D 13 C spectra using TEDOR-based 15 N selective filtering in the aromatic region. Top to bottom, soft pulse turned off; soft pulse at 250 ppm; soft pulse at 170 ppm. (G) Three complementary 1 H-detected TEDOR-based 15 N selective filtered CH HETCOR spectra. Left to right, soft pulse turned off, soft pulse at 170 ppm, soft pulse at 250 ppm. The MAS frequency was 60 kHz in all experiments. Signals of charged state are shown in purple, neutral τ tautomer – in magenta, anionic τ tautomer - in grey, and anionic π tautomer – in teal.
Ls Spectrometer With 2d Pseudo Correlation Mode, supplied by LS Instruments AG, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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vic 2009 2-d dic software  (Correlated Solutions Inc)
90
Correlated Solutions Inc vic 2009 2-d dic software
(A) Four states of histidine: left to right, charged state, neutral τ tautomer, anionic τ tautomer, and anionic π tautomer. (B) Pulse sequence for the 1 H-detected TEDOR-based 15 N selective filtered experiment. T r is <t>the</t> <t>MAS</t> rotor period, τ mix is the total TEDOR mixing time. The phase on the individual pulses are: φ1 = 16 × (0) 16 × (2), φ2 = 1, φ3 = 0,φ4 = 0, φ5 = 0213 2031, φ6 = 2, φ7 = 0, φ8 = 02, φ9 = 1133, φ10 = 4 × (0) 4 × (1) 4 × (2) 4 × (3), φ11 = 4 × (1) 4 × (0), φ12 = 4 × (1) 4 × (0) 4 × (1) 4 × (0) 4 × (3) 4 × (2) 4 × (3) 4 × (2), φrec = 3113 0220 1331 2002, where 0 = x , 1 = y , 2 = – x , and 3 = – y . Δ is set to one rotor period during which 1 H rf field of ω r amplitude is applied for effective Z-filtering. MISSISSIPPI water suppression sequence is applied during Δ′ time period. (C) Synthetic 1 H-detected TEDOR-based 15 N selective filtered CH HETCOR spectra showing cross peaks expected for each tautomer. Left to right, soft pulse turned off, soft pulse at 170 ppm, soft pulse at 250 ppm. The filtering patterns for neutral and anionic τ tautomers are identical. (D) 15 N (top) and 13 C (bottom) CPMAS NMR spectra of crystalline histidine. (E) Aromatic region expansion of <t>2D</t> NCA spectrum of crystalline histidine. (F) 1D 13 C spectra using TEDOR-based 15 N selective filtering in the aromatic region. Top to bottom, soft pulse turned off; soft pulse at 250 ppm; soft pulse at 170 ppm. (G) Three complementary 1 H-detected TEDOR-based 15 N selective filtered CH HETCOR spectra. Left to right, soft pulse turned off, soft pulse at 170 ppm, soft pulse at 250 ppm. The MAS frequency was 60 kHz in all experiments. Signals of charged state are shown in purple, neutral τ tautomer – in magenta, anionic τ tautomer - in grey, and anionic π tautomer – in teal.
Vic 2009 2 D Dic Software, supplied by Correlated Solutions Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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ft-raman 2d-correlation spectra  (Photonics Inc)
90
Photonics Inc ft-raman 2d-correlation spectra
(A) Four states of histidine: left to right, charged state, neutral τ tautomer, anionic τ tautomer, and anionic π tautomer. (B) Pulse sequence for the 1 H-detected TEDOR-based 15 N selective filtered experiment. T r is <t>the</t> <t>MAS</t> rotor period, τ mix is the total TEDOR mixing time. The phase on the individual pulses are: φ1 = 16 × (0) 16 × (2), φ2 = 1, φ3 = 0,φ4 = 0, φ5 = 0213 2031, φ6 = 2, φ7 = 0, φ8 = 02, φ9 = 1133, φ10 = 4 × (0) 4 × (1) 4 × (2) 4 × (3), φ11 = 4 × (1) 4 × (0), φ12 = 4 × (1) 4 × (0) 4 × (1) 4 × (0) 4 × (3) 4 × (2) 4 × (3) 4 × (2), φrec = 3113 0220 1331 2002, where 0 = x , 1 = y , 2 = – x , and 3 = – y . Δ is set to one rotor period during which 1 H rf field of ω r amplitude is applied for effective Z-filtering. MISSISSIPPI water suppression sequence is applied during Δ′ time period. (C) Synthetic 1 H-detected TEDOR-based 15 N selective filtered CH HETCOR spectra showing cross peaks expected for each tautomer. Left to right, soft pulse turned off, soft pulse at 170 ppm, soft pulse at 250 ppm. The filtering patterns for neutral and anionic τ tautomers are identical. (D) 15 N (top) and 13 C (bottom) CPMAS NMR spectra of crystalline histidine. (E) Aromatic region expansion of <t>2D</t> NCA spectrum of crystalline histidine. (F) 1D 13 C spectra using TEDOR-based 15 N selective filtering in the aromatic region. Top to bottom, soft pulse turned off; soft pulse at 250 ppm; soft pulse at 170 ppm. (G) Three complementary 1 H-detected TEDOR-based 15 N selective filtered CH HETCOR spectra. Left to right, soft pulse turned off, soft pulse at 170 ppm, soft pulse at 250 ppm. The MAS frequency was 60 kHz in all experiments. Signals of charged state are shown in purple, neutral τ tautomer – in magenta, anionic τ tautomer - in grey, and anionic π tautomer – in teal.
Ft Raman 2d Correlation Spectra, supplied by Photonics Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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2d-dls pseudo cross correlation setup  (LS Instruments AG)
90
LS Instruments AG 2d-dls pseudo cross correlation setup
(A) Four states of histidine: left to right, charged state, neutral τ tautomer, anionic τ tautomer, and anionic π tautomer. (B) Pulse sequence for the 1 H-detected TEDOR-based 15 N selective filtered experiment. T r is <t>the</t> <t>MAS</t> rotor period, τ mix is the total TEDOR mixing time. The phase on the individual pulses are: φ1 = 16 × (0) 16 × (2), φ2 = 1, φ3 = 0,φ4 = 0, φ5 = 0213 2031, φ6 = 2, φ7 = 0, φ8 = 02, φ9 = 1133, φ10 = 4 × (0) 4 × (1) 4 × (2) 4 × (3), φ11 = 4 × (1) 4 × (0), φ12 = 4 × (1) 4 × (0) 4 × (1) 4 × (0) 4 × (3) 4 × (2) 4 × (3) 4 × (2), φrec = 3113 0220 1331 2002, where 0 = x , 1 = y , 2 = – x , and 3 = – y . Δ is set to one rotor period during which 1 H rf field of ω r amplitude is applied for effective Z-filtering. MISSISSIPPI water suppression sequence is applied during Δ′ time period. (C) Synthetic 1 H-detected TEDOR-based 15 N selective filtered CH HETCOR spectra showing cross peaks expected for each tautomer. Left to right, soft pulse turned off, soft pulse at 170 ppm, soft pulse at 250 ppm. The filtering patterns for neutral and anionic τ tautomers are identical. (D) 15 N (top) and 13 C (bottom) CPMAS NMR spectra of crystalline histidine. (E) Aromatic region expansion of <t>2D</t> NCA spectrum of crystalline histidine. (F) 1D 13 C spectra using TEDOR-based 15 N selective filtering in the aromatic region. Top to bottom, soft pulse turned off; soft pulse at 250 ppm; soft pulse at 170 ppm. (G) Three complementary 1 H-detected TEDOR-based 15 N selective filtered CH HETCOR spectra. Left to right, soft pulse turned off, soft pulse at 170 ppm, soft pulse at 250 ppm. The MAS frequency was 60 kHz in all experiments. Signals of charged state are shown in purple, neutral τ tautomer – in magenta, anionic τ tautomer - in grey, and anionic π tautomer – in teal.
2d Dls Pseudo Cross Correlation Setup, supplied by LS Instruments AG, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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Image Search Results


(A) Four states of histidine: left to right, charged state, neutral τ tautomer, anionic τ tautomer, and anionic π tautomer. (B) Pulse sequence for the 1 H-detected TEDOR-based 15 N selective filtered experiment. T r is the MAS rotor period, τ mix is the total TEDOR mixing time. The phase on the individual pulses are: φ1 = 16 × (0) 16 × (2), φ2 = 1, φ3 = 0,φ4 = 0, φ5 = 0213 2031, φ6 = 2, φ7 = 0, φ8 = 02, φ9 = 1133, φ10 = 4 × (0) 4 × (1) 4 × (2) 4 × (3), φ11 = 4 × (1) 4 × (0), φ12 = 4 × (1) 4 × (0) 4 × (1) 4 × (0) 4 × (3) 4 × (2) 4 × (3) 4 × (2), φrec = 3113 0220 1331 2002, where 0 = x , 1 = y , 2 = – x , and 3 = – y . Δ is set to one rotor period during which 1 H rf field of ω r amplitude is applied for effective Z-filtering. MISSISSIPPI water suppression sequence is applied during Δ′ time period. (C) Synthetic 1 H-detected TEDOR-based 15 N selective filtered CH HETCOR spectra showing cross peaks expected for each tautomer. Left to right, soft pulse turned off, soft pulse at 170 ppm, soft pulse at 250 ppm. The filtering patterns for neutral and anionic τ tautomers are identical. (D) 15 N (top) and 13 C (bottom) CPMAS NMR spectra of crystalline histidine. (E) Aromatic region expansion of 2D NCA spectrum of crystalline histidine. (F) 1D 13 C spectra using TEDOR-based 15 N selective filtering in the aromatic region. Top to bottom, soft pulse turned off; soft pulse at 250 ppm; soft pulse at 170 ppm. (G) Three complementary 1 H-detected TEDOR-based 15 N selective filtered CH HETCOR spectra. Left to right, soft pulse turned off, soft pulse at 170 ppm, soft pulse at 250 ppm. The MAS frequency was 60 kHz in all experiments. Signals of charged state are shown in purple, neutral τ tautomer – in magenta, anionic τ tautomer - in grey, and anionic π tautomer – in teal.

Journal: Frontiers in Molecular Biosciences

Article Title: Determination of Histidine Protonation States in Proteins by Fast Magic Angle Spinning NMR

doi: 10.3389/fmolb.2021.767040

Figure Lengend Snippet: (A) Four states of histidine: left to right, charged state, neutral τ tautomer, anionic τ tautomer, and anionic π tautomer. (B) Pulse sequence for the 1 H-detected TEDOR-based 15 N selective filtered experiment. T r is the MAS rotor period, τ mix is the total TEDOR mixing time. The phase on the individual pulses are: φ1 = 16 × (0) 16 × (2), φ2 = 1, φ3 = 0,φ4 = 0, φ5 = 0213 2031, φ6 = 2, φ7 = 0, φ8 = 02, φ9 = 1133, φ10 = 4 × (0) 4 × (1) 4 × (2) 4 × (3), φ11 = 4 × (1) 4 × (0), φ12 = 4 × (1) 4 × (0) 4 × (1) 4 × (0) 4 × (3) 4 × (2) 4 × (3) 4 × (2), φrec = 3113 0220 1331 2002, where 0 = x , 1 = y , 2 = – x , and 3 = – y . Δ is set to one rotor period during which 1 H rf field of ω r amplitude is applied for effective Z-filtering. MISSISSIPPI water suppression sequence is applied during Δ′ time period. (C) Synthetic 1 H-detected TEDOR-based 15 N selective filtered CH HETCOR spectra showing cross peaks expected for each tautomer. Left to right, soft pulse turned off, soft pulse at 170 ppm, soft pulse at 250 ppm. The filtering patterns for neutral and anionic τ tautomers are identical. (D) 15 N (top) and 13 C (bottom) CPMAS NMR spectra of crystalline histidine. (E) Aromatic region expansion of 2D NCA spectrum of crystalline histidine. (F) 1D 13 C spectra using TEDOR-based 15 N selective filtering in the aromatic region. Top to bottom, soft pulse turned off; soft pulse at 250 ppm; soft pulse at 170 ppm. (G) Three complementary 1 H-detected TEDOR-based 15 N selective filtered CH HETCOR spectra. Left to right, soft pulse turned off, soft pulse at 170 ppm, soft pulse at 250 ppm. The MAS frequency was 60 kHz in all experiments. Signals of charged state are shown in purple, neutral τ tautomer – in magenta, anionic τ tautomer - in grey, and anionic π tautomer – in teal.

Article Snippet: Herein, we present an alternative MAS experiment that uses 1 H detected transferred-echo double resonance (TEDOR)-based 15 N selectively filtered 2D correlations at fast MAS frequencies of 40–60 kHz.

Techniques: Sequencing

(A) A hexameric unit of HIV-1 CA CTD -SP1 in the microcrystalline assembly (PDB 5I4T) shown as side view (left) and top view (right) . (B) 1D 13 C MAS NMR spectra of FD- 13 C, 15 N-CA CTD -SP1 with TEDOR-based 15 N selective filtering in the aromatic region. Top to bottom: CPMAS spectrum; TEDOR-based 15 N selectively filtered spectra with soft pulse turned off, soft pulse at 170 ppm, and soft pulse at 250 ppm. (C) 2D CORD spectrum of FD- 13 C, 15 N-CA CTD -SP1 (MAS frequency 14 kHz). (D) Aromatic regions of 1 H-detected TEDOR-based 15 N selective filtered CH HETCOR spectra in FD- 13 C, 15 N-CA CTD -SP1: TEDOR filter and soft pulse turned off (top left) , soft pulse turned off (top right) , soft pulse at 170 ppm (bottom left) , soft pulse at 250 ppm (bottom right) . The MAS frequency was 40 kHz in all experiments, unless indicated otherwise. Signals of τ tautomer are shown in magenta.

Journal: Frontiers in Molecular Biosciences

Article Title: Determination of Histidine Protonation States in Proteins by Fast Magic Angle Spinning NMR

doi: 10.3389/fmolb.2021.767040

Figure Lengend Snippet: (A) A hexameric unit of HIV-1 CA CTD -SP1 in the microcrystalline assembly (PDB 5I4T) shown as side view (left) and top view (right) . (B) 1D 13 C MAS NMR spectra of FD- 13 C, 15 N-CA CTD -SP1 with TEDOR-based 15 N selective filtering in the aromatic region. Top to bottom: CPMAS spectrum; TEDOR-based 15 N selectively filtered spectra with soft pulse turned off, soft pulse at 170 ppm, and soft pulse at 250 ppm. (C) 2D CORD spectrum of FD- 13 C, 15 N-CA CTD -SP1 (MAS frequency 14 kHz). (D) Aromatic regions of 1 H-detected TEDOR-based 15 N selective filtered CH HETCOR spectra in FD- 13 C, 15 N-CA CTD -SP1: TEDOR filter and soft pulse turned off (top left) , soft pulse turned off (top right) , soft pulse at 170 ppm (bottom left) , soft pulse at 250 ppm (bottom right) . The MAS frequency was 40 kHz in all experiments, unless indicated otherwise. Signals of τ tautomer are shown in magenta.

Article Snippet: Herein, we present an alternative MAS experiment that uses 1 H detected transferred-echo double resonance (TEDOR)-based 15 N selectively filtered 2D correlations at fast MAS frequencies of 40–60 kHz.

Techniques: