Characterisation of Green-Tea Radical Scavengers by ALC-MuSR and High-Level Computations
We propose to characterise selected radical structures of the green-tea anti-oxidant flavenoid EGCG (& selected analogues), by DFT/post-HF computation and ALC-MuSR, towards a synergy between experiment and theory. Theory-derived thermodynamic parameters (H, S, G) as well as geometric and electronic structures, including Bader¿s AIM wavefunction analyses, of neutral EGCG (& analogues) and their H-added systems will help guide the muon-experiments proposed. Strong evidence exists for long-lived radicals (T1/2 = ~20h) generated from H-addition to neutral aromatic compounds of biophysical interest (i.e. peptides); also probable for EGCG. The nature of this pronounced stabilisation is unknown and we look now to aid in its characterisation and compare the results with those of traditional ¿radical scavenging' mechanistic proposals (H-abstraction and Proton Coupled e-transfer).
- 5 trihydroxybenzoate
- 5 trihydroxytoluene
- 50mM
- 920417
- ALC MuSR
- Ag
- Atkins
- C7H8O3
- C8H8O5
- Characterisation
- Chasse
- Computations
- EGCG
- EtOH
- F 10
- F 100
- F 1000
- F 10000
- F 10050
- F 10100
- F 10150
- F 10200
- F 10250
- F 10300
- F 10350
- F 10400
- F 10450
- F 10500
- F 10550
- F 10600
- F 10650
- F 10700
- F 10750
- F 10800
- F 10850
- F 10900
- F 10950
- F 11000
- F 11050
- F 11100
- F 11150
- F 11200
- F 11250
- F 11300
- F 11350
- F 11400
- F 11450
- F 11500
- F 11550
- F 11600
- F 11650
- F 11700
- F 11750
- F 11800
- F 11850
- F 11900
- F 11950
- F 120
- F 1200
- F 12000
- F 12050
- F 12100
- F 12150
- F 12200
- F 12250
- F 12300
- F 12350
- F 12400
- F 12450
- F 12500
- F 12550
- F 12600
- F 12650
- F 12700
- F 12750
- F 12800
- F 12850
- F 12900
- F 12950
- F 13000
- F 13050
- F 13100
- F 13150
- F 13200
- F 13250
- F 13300
- F 13350
- F 13400
- F 13450
- F 13500
- F 13550
- F 13600
- F 13650
- F 13700
- F 13750
- F 13800
- F 13850
- F 13900
- F 13950
- F 14000
- F 14050
- F 14100
- F 14150
- F 14200
- F 14250
- F 14300
- F 14350
- F 14400
- F 14450
- F 14500
- F 14500 0
- F 14525
- F 14550
- F 14575
- F 14600
- F 14625
- F 14650
- F 14675
- F 14700
- F 14725
- F 14750
- F 14775
- F 14800
- F 14825
- F 14850
- F 14875
- F 14900
- F 14925
- F 14950
- F 14975
- F 15
- F 150
- F 1500
- F 15000
- F 15025
- F 15050
- F 15075
- F 15100
- F 15125
- F 15150
- F 15175
- F 15200
- F 15225
- F 15250
- F 15275
- F 15300
- F 15325
- F 15350
- F 15375
- F 15400
- F 15425
- F 15450
- F 15475
- F 15500
- F 15525
- F 15550
- F 15575
- F 15600
- F 15625
- F 15650
- F 15675
- F 15700
- F 15725
- F 15750
- F 15775
- F 15800
- F 15825
- F 15850
- F 15875
- F 15900
- F 15925
- F 15950
- F 15975
- F 16000
- F 16025
- F 16050
- F 16075
- F 16100
- F 16125
- F 16150
- F 16175
- F 16200
- F 16225
- F 16250
- F 16275
- F 16300
- F 16325
- F 16350
- F 16375
- F 16400
- F 16425
- F 16450
- F 16475
- F 16500
- F 16525
- F 16550
- F 16575
- F 16600
- F 16625
- F 16650
- F 16675
- F 16700
- F 16725
- F 16750
- F 16775
- F 16800
- F 16825
- F 16850
- F 16875
- F 16900
- F 16925
- F 16950
- F 16975
- F 17000
- F 17025
- F 17050
- F 17075
- F 17100
- F 17125
- F 17150
- F 17175
- F 17200
- F 17225
- F 17250
- F 17275
- F 17300
- F 17325
- F 17350
- F 17375
- F 17400
- F 17425
- F 17450
- F 17475
- F 17500
- F 17525
- F 17550
- F 17575
- F 17600
- F 17625
- F 17650
- F 17675
- F 17700
- F 17725
- F 17750
- F 17775
- F 17800
- F 17825
- F 17850
- F 17875
- F 17900
- F 17925
- F 17950
- F 17975
- F 180
- F 18000
- F 18025
- F 18050
- F 18075
- F 18100
- F 18125
- F 18150
- F 18175
- F 18200
- F 18225
- F 18250
- F 18275
- F 18300
- F 18325
- F 18350
- F 18375
- F 18400
- F 18425
- F 18450
- F 18475
- F 18500
- F 18525
- F 18550
- F 18575
- F 18600
- F 18625
- F 18650
- F 18675
- F 18700
- F 18725
- F 18750
- F 18775
- F 18800
- F 18825
- F 18850
- F 18875
- F 18900
- F 18925
- F 18950
- F 18975
- F 19000
- F 19025
- F 19050
- F 19075
- F 19100
- F 19125
- F 19150
- F 19175
- F 19200
- F 19225
- F 19250
- F 19275
- F 19300
- F 19325
- F 19350
- F 19375
- F 19400
- F 19425
- F 19450
- F 19475
- F 19500
- F 19525
- F 19550
- F 19575
- F 19600
- F 19625
- F 19650
- F 19675
- F 19700
- F 19725
- F 19750
- F 19775
- F 19800
- F 19825
- F 19850
- F 19875
- F 19900
- F 19925
- F 19950
- F 19975
- F 20
- F 20 0
- F 200
- F 2000
- F 20000
- F 20050
- F 20100
- F 20150
- F 20200
- F 20250
- F 20300
- F 20350
- F 20400
- F 20450
- F 20500
- F 20550
- F 20600
- F 20650
- F 20700
- F 20750
- F 20800
- F 20850
- F 20900
- F 20950
- F 21000
- F 21050
- F 21100
- F 21150
- F 21200
- F 21250
- F 21300
- F 21350
- F 21400
- F 21450
- F 21500
- F 21550
- F 21600
- F 21650
- F 21700
- F 21750
- F 21800
- F 21850
- F 21900
- F 21950
- F 22000
- F 22050
- F 22100
- F 22150
- F 22200
- F 22250
- F 22300
- F 22350
- F 22400
- F 22450
- F 22500
- F 22550
- F 22600
- F 22650
- F 22700
- F 22750
- F 22800
- F 22850
- F 22900
- F 22950
- F 23000
- F 23050
- F 23100
- F 23150
- F 23200
- F 23250
- F 23300
- F 23350
- F 23400
- F 23450
- F 23500
- F 23550
- F 23600
- F 23650
- F 23700
- F 23750
- F 23800
- F 23850
- F 23900
- F 24000
- F 24500
- F 250
- F 2500
- F 25000
- F 35
- F 350
- F 4500
- F 5
- F 50
- F 500
- F 5000
- F 5050
- F 5100
- F 5150
- F 5200
- F 5250
- F 5300
- F 5350
- F 5400
- F 5450
- F 5500
- F 5550
- F 5600
- F 5650
- F 5700
- F 5750
- F 5800
- F 5850
- F 5900
- F 5950
- F 60
- F 6000
- F 6050
- F 6100
- F 6150
- F 6200
- F 6250
- F 6300
- F 6350
- F 6400
- F 6450
- F 650
- F 6500
- F 6550
- F 6600
- F 6650
- F 6700
- F 6750
- F 6800
- F 6850
- F 6900
- F 6950
- F 7000
- F 7050
- F 7100
- F 7150
- F 7200
- F 7250
- F 7300
- F 7350
- F 7400
- F 7450
- F 75
- F 7500
- F 7550
- F 7600
- F 7650
- F 7700
- F 7750
- F 7800
- F 7850
- F 7900
- F 7950
- F 800
- F 8000
- F 8050
- F 8100
- F 8150
- F 8200
- F 8250
- F 8300
- F 8350
- F 8400
- F 8450
- F 8500
- F 8550
- F 8600
- F 8650
- F 8700
- F 8750
- F 8800
- F 8850
- F 8900
- F 8950
- F 9000
- F 9050
- F 9100
- F 9150
- F 9200
- F 9250
- F 9300
- F 9350
- F 9400
- F 9450
- F 9500
- F 9550
- F 9600
- F 9650
- F 9700
- F 9750
- F 9800
- F 9850
- F 9900
- F 9950
- Green Tea
- H15C22O11
- HIFI
- High Level
- Kargl
- McKenzie
- Me345OHBz
- Methyl
- Na2C4O4
- Radical
- Robbins
- Rozhok
- Scavengers
- Slits 12
- Slits 16
- Slits 8
- T 300 0
- back
- background
- methyl 3
- plate
- powder
- scan
- solution
Provenance | |
---|---|
Creator | Dr Iain McKenzie; Dr Florian Kargl; Dr Gregory Chasse |
Publisher | ISIS Neutron and Muon Source |
Publication Year | 2013 |
Rights | CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/ |
OpenAccess | true |
Contact | isisdata(at)stfc.ac.uk |
Representation | |
---|---|
Resource Type | Dataset |
Discipline | Photon- and Neutron Geosciences |
Temporal Coverage Begin | 2010-02-27T00:28:53Z |
Temporal Coverage End | 2010-03-13T08:11:46Z |