An interlaboratory study of TEX86 and BIT analysis of sediments, extracts, and standard mixtures

S. Schouten; E.C. Hopmans; A. Rosell-Melé; A. Pearson; P. Adam; T. Bauersachs; E. Bard; S.M. Bernasconi; T.S. Bianchi; J.J. Brocks; L.T. Carlson; I.S. Castañeda; S. Derenne; A.D. Selver; K. Dutta; T. Eglinton; C. Fosse; V. Galy; K. Grice; K.U. Hinrichs; Y. Huang; A. Huguet; C. Huguet; S. Hurley; A. Ingalls; G. Jia; B. Keely; C. Knappy; M. Kondo; S. Krishnan; S. Lincoln; J. Lipp; K. Mangelsdorf; A. Martínez-García; G. Ménot; A. Mets; G. Mollenhauer; N. Ohkouchi; J. Ossebaar; M. Pagani; R.D. Pancost; E.J. Pearson; F. Peterse; G.-J. Reichart; P. Schaeffer; G. Schmitt; L. Schwark; S.R. Shah; R.W. Smith; R.H. Smittenberg; R.E. Summons; Y. Takano; H.M. Talbot; K.W.R. Taylor; R. Tarozo; M. Uchida; B.E. van Dongen; B.A.S. Van Mooy; J. Wang; C. Warren; J.W.H. Weijers; J.P. Werne; M. Woltering; S. Xie; M. Yamamoto; C.L. Zhang; Y. Zhang; M. Zhao; J.S. Sinninghe Damsté

doi:10.1002/2013GC004904

An interlaboratory study of TEX86 and BIT analysis of sediments, extracts, and standard mixtures

S. Schouten, E.C. Hopmans, A. Rosell-Melé, A. Pearson, P. Adam, T. Bauersachs, E. Bard, S.M. Bernasconi, T.S. Bianchi, J.J. Brocks, L.T. Carlson, I.S. Castañeda, S. Derenne, A.D. Selver, K. Dutta, T. Eglinton, C. Fosse, V. Galy, K. Grice, K.U. HinrichsY. Huang, A. Huguet, C. Huguet, S. Hurley, A. Ingalls, G. Jia, B. Keely, C. Knappy, M. Kondo, S. Krishnan, S. Lincoln, J. Lipp, K. Mangelsdorf, A. Martínez-García, G. Ménot, A. Mets, G. Mollenhauer, N. Ohkouchi, J. Ossebaar, M. Pagani, R.D. Pancost, E.J. Pearson, F. Peterse, G.-J. Reichart, P. Schaeffer, G. Schmitt, L. Schwark, S.R. Shah, R.W. Smith, R.H. Smittenberg, R.E. Summons, Y. Takano, H.M. Talbot, K.W.R. Taylor, R. Tarozo, M. Uchida, B.E. van Dongen, B.A.S. Van Mooy, J. Wang, C. Warren, J.W.H. Weijers, J.P. Werne, M. Woltering, S. Xie, M. Yamamoto, C.L. Zhang, Y. Zhang, M. Zhao, J.S. Sinninghe Damsté

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Abstract

Two commonly used proxies based on the distribution of glycerol dialkyl glycerol tetraethers (GDGTs) are the TEX86 (TetraEther indeX of 86 carbon atoms) paleothermometer for sea surface temperature reconstructions and the BIT (Branched Isoprenoid Tetraether) index for reconstructing soil organic matter input to the ocean. An initial round-robin study of two sediment extracts, in which 15 laboratories participated, showed relatively consistent TEX86 values (reproducibility ±3–4°C when translated to temperature) but a large spread in BIT measurements (reproducibility ±0.41 on a scale of 0–1). Here we report results of a second round-robin study with 35 laboratories in which three sediments, one sediment extract, and two mixtures of pure, isolated GDGTs were analyzed. The results for TEX86 and BIT index showed improvement compared to the previous round-robin study. The reproducibility, indicating interlaboratory variation, of TEX86 values ranged from 1.3 to 3.0°C when translated to temperature. These results are similar to those of other temperature proxies used in paleoceanography. Comparison of the results obtained from one of the three sediments showed that TEX86 and BIT indices are not significantly affected by interlaboratory differences in sediment extraction techniques. BIT values of the sediments and extracts were at the extremes of the index with values close to 0 or 1, and showed good reproducibility (ranging from 0.013 to 0.042). However, the measured BIT values for the two GDGT mixtures, with known molar ratios of crenarchaeol and branched GDGTs, had intermediate BIT values and showed poor reproducibility and a large overestimation of the “true” (i.e., molar-based) BIT index. The latter is likely due to, among other factors, the higher mass spectrometric response of branched GDGTs compared to crenarchaeol, which also varies among mass spectrometers. Correction for this different mass spectrometric response showed a considerable improvement in the reproducibility of BIT index measurements among laboratories, as well as a substantially improved estimation of molar-based BIT values. This suggests that standard mixtures should be used in order to obtain consistent, and molar-based, BIT values.

Original language	English
Pages (from-to)	5263-5285
Number of pages	23
Journal	Geochemistry, Geophysics, Geosystems
Volume	14
Issue number	12
DOIs	https://doi.org/10.1002/2013GC004904
Publication status	Published - 2013

Keywords

TEX86
BIT
GDGT
round robin

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Schouten, S., Hopmans, E. C., Rosell-Melé, A., Pearson, A., Adam, P., Bauersachs, T., Bard, E., Bernasconi, S. M., Bianchi, T. S., Brocks, J. J., Carlson, L. T., Castañeda, I. S., Derenne, S., Selver, A. D., Dutta, K., Eglinton, T., Fosse, C., Galy, V., Grice, K., ... Sinninghe Damsté, J. S. (2013). An interlaboratory study of TEX86 and BIT analysis of sediments, extracts, and standard mixtures. Geochemistry, Geophysics, Geosystems, 14(12), 5263-5285. https://doi.org/10.1002/2013GC004904

@article{a244560dd2544a6aac1c96c756f65790,

title = "An interlaboratory study of TEX86 and BIT analysis of sediments, extracts, and standard mixtures",

abstract = "Two commonly used proxies based on the distribution of glycerol dialkyl glycerol tetraethers (GDGTs) are the TEX86 (TetraEther indeX of 86 carbon atoms) paleothermometer for sea surface temperature reconstructions and the BIT (Branched Isoprenoid Tetraether) index for reconstructing soil organic matter input to the ocean. An initial round-robin study of two sediment extracts, in which 15 laboratories participated, showed relatively consistent TEX86 values (reproducibility ±3–4°C when translated to temperature) but a large spread in BIT measurements (reproducibility ±0.41 on a scale of 0–1). Here we report results of a second round-robin study with 35 laboratories in which three sediments, one sediment extract, and two mixtures of pure, isolated GDGTs were analyzed. The results for TEX86 and BIT index showed improvement compared to the previous round-robin study. The reproducibility, indicating interlaboratory variation, of TEX86 values ranged from 1.3 to 3.0°C when translated to temperature. These results are similar to those of other temperature proxies used in paleoceanography. Comparison of the results obtained from one of the three sediments showed that TEX86 and BIT indices are not significantly affected by interlaboratory differences in sediment extraction techniques. BIT values of the sediments and extracts were at the extremes of the index with values close to 0 or 1, and showed good reproducibility (ranging from 0.013 to 0.042). However, the measured BIT values for the two GDGT mixtures, with known molar ratios of crenarchaeol and branched GDGTs, had intermediate BIT values and showed poor reproducibility and a large overestimation of the “true” (i.e., molar-based) BIT index. The latter is likely due to, among other factors, the higher mass spectrometric response of branched GDGTs compared to crenarchaeol, which also varies among mass spectrometers. Correction for this different mass spectrometric response showed a considerable improvement in the reproducibility of BIT index measurements among laboratories, as well as a substantially improved estimation of molar-based BIT values. This suggests that standard mixtures should be used in order to obtain consistent, and molar-based, BIT values.",

keywords = "TEX86, BIT, GDGT, round robin",

author = "S. Schouten and E.C. Hopmans and A. Rosell-Mel{\'e} and A. Pearson and P. Adam and T. Bauersachs and E. Bard and S.M. Bernasconi and T.S. Bianchi and J.J. Brocks and L.T. Carlson and I.S. Casta{\~n}eda and S. Derenne and A.D. Selver and K. Dutta and T. Eglinton and C. Fosse and V. Galy and K. Grice and K.U. Hinrichs and Y. Huang and A. Huguet and C. Huguet and S. Hurley and A. Ingalls and G. Jia and B. Keely and C. Knappy and M. Kondo and S. Krishnan and S. Lincoln and J. Lipp and K. Mangelsdorf and A. Mart{\'i}nez-Garc{\'i}a and G. M{\'e}not and A. Mets and G. Mollenhauer and N. Ohkouchi and J. Ossebaar and M. Pagani and R.D. Pancost and E.J. Pearson and F. Peterse and G.-J. Reichart and P. Schaeffer and G. Schmitt and L. Schwark and S.R. Shah and R.W. Smith and R.H. Smittenberg and R.E. Summons and Y. Takano and H.M. Talbot and K.W.R. Taylor and R. Tarozo and M. Uchida and {van Dongen}, B.E. and {Van Mooy}, B.A.S. and J. Wang and C. Warren and J.W.H. Weijers and J.P. Werne and M. Woltering and S. Xie and M. Yamamoto and C.L. Zhang and Y. Zhang and M. Zhao and {Sinninghe Damst{\'e}}, J.S.",

year = "2013",

doi = "10.1002/2013GC004904",

language = "English",

volume = "14",

pages = "5263--5285",

journal = "Geochemistry, Geophysics, Geosystems",

issn = "1525-2027",

publisher = "American Geophysical Union",

number = "12",

}

Schouten, S, Hopmans, EC, Rosell-Melé, A, Pearson, A, Adam, P, Bauersachs, T, Bard, E, Bernasconi, SM, Bianchi, TS, Brocks, JJ, Carlson, LT, Castañeda, IS, Derenne, S, Selver, AD, Dutta, K, Eglinton, T, Fosse, C, Galy, V, Grice, K, Hinrichs, KU, Huang, Y, Huguet, A, Huguet, C, Hurley, S, Ingalls, A, Jia, G, Keely, B, Knappy, C, Kondo, M, Krishnan, S, Lincoln, S, Lipp, J, Mangelsdorf, K, Martínez-García, A, Ménot, G, Mets, A, Mollenhauer, G, Ohkouchi, N, Ossebaar, J, Pagani, M, Pancost, RD, Pearson, EJ, Peterse, F , Reichart, G-J, Schaeffer, P, Schmitt, G, Schwark, L, Shah, SR, Smith, RW, Smittenberg, RH, Summons, RE, Takano, Y, Talbot, HM, Taylor, KWR, Tarozo, R, Uchida, M, van Dongen, BE, Van Mooy, BAS, Wang, J, Warren, C, Weijers, JWH, Werne, JP, Woltering, M, Xie, S, Yamamoto, M, Zhang, CL, Zhang, Y, Zhao, M & Sinninghe Damsté, JS 2013, 'An interlaboratory study of TEX86 and BIT analysis of sediments, extracts, and standard mixtures', Geochemistry, Geophysics, Geosystems, vol. 14, no. 12, pp. 5263-5285. https://doi.org/10.1002/2013GC004904

TY - JOUR

T1 - An interlaboratory study of TEX86 and BIT analysis of sediments, extracts, and standard mixtures

AU - Schouten, S.

AU - Hopmans, E.C.

AU - Rosell-Melé, A.

AU - Pearson, A.

AU - Adam, P.

AU - Bauersachs, T.

AU - Bard, E.

AU - Bernasconi, S.M.

AU - Bianchi, T.S.

AU - Brocks, J.J.

AU - Carlson, L.T.

AU - Castañeda, I.S.

AU - Derenne, S.

AU - Selver, A.D.

AU - Dutta, K.

AU - Eglinton, T.

AU - Fosse, C.

AU - Galy, V.

AU - Grice, K.

AU - Hinrichs, K.U.

AU - Huang, Y.

AU - Huguet, A.

AU - Huguet, C.

AU - Hurley, S.

AU - Ingalls, A.

AU - Jia, G.

AU - Keely, B.

AU - Knappy, C.

AU - Kondo, M.

AU - Krishnan, S.

AU - Lincoln, S.

AU - Lipp, J.

AU - Mangelsdorf, K.

AU - Martínez-García, A.

AU - Ménot, G.

AU - Mets, A.

AU - Mollenhauer, G.

AU - Ohkouchi, N.

AU - Ossebaar, J.

AU - Pagani, M.

AU - Pancost, R.D.

AU - Pearson, E.J.

AU - Peterse, F.

AU - Reichart, G.-J.

AU - Schaeffer, P.

AU - Schmitt, G.

AU - Schwark, L.

AU - Shah, S.R.

AU - Smith, R.W.

AU - Smittenberg, R.H.

AU - Summons, R.E.

AU - Takano, Y.

AU - Talbot, H.M.

AU - Taylor, K.W.R.

AU - Tarozo, R.

AU - Uchida, M.

AU - van Dongen, B.E.

AU - Van Mooy, B.A.S.

AU - Wang, J.

AU - Warren, C.

AU - Weijers, J.W.H.

AU - Werne, J.P.

AU - Woltering, M.

AU - Xie, S.

AU - Yamamoto, M.

AU - Zhang, C.L.

AU - Zhang, Y.

AU - Zhao, M.

AU - Sinninghe Damsté, J.S.

PY - 2013

Y1 - 2013

N2 - Two commonly used proxies based on the distribution of glycerol dialkyl glycerol tetraethers (GDGTs) are the TEX86 (TetraEther indeX of 86 carbon atoms) paleothermometer for sea surface temperature reconstructions and the BIT (Branched Isoprenoid Tetraether) index for reconstructing soil organic matter input to the ocean. An initial round-robin study of two sediment extracts, in which 15 laboratories participated, showed relatively consistent TEX86 values (reproducibility ±3–4°C when translated to temperature) but a large spread in BIT measurements (reproducibility ±0.41 on a scale of 0–1). Here we report results of a second round-robin study with 35 laboratories in which three sediments, one sediment extract, and two mixtures of pure, isolated GDGTs were analyzed. The results for TEX86 and BIT index showed improvement compared to the previous round-robin study. The reproducibility, indicating interlaboratory variation, of TEX86 values ranged from 1.3 to 3.0°C when translated to temperature. These results are similar to those of other temperature proxies used in paleoceanography. Comparison of the results obtained from one of the three sediments showed that TEX86 and BIT indices are not significantly affected by interlaboratory differences in sediment extraction techniques. BIT values of the sediments and extracts were at the extremes of the index with values close to 0 or 1, and showed good reproducibility (ranging from 0.013 to 0.042). However, the measured BIT values for the two GDGT mixtures, with known molar ratios of crenarchaeol and branched GDGTs, had intermediate BIT values and showed poor reproducibility and a large overestimation of the “true” (i.e., molar-based) BIT index. The latter is likely due to, among other factors, the higher mass spectrometric response of branched GDGTs compared to crenarchaeol, which also varies among mass spectrometers. Correction for this different mass spectrometric response showed a considerable improvement in the reproducibility of BIT index measurements among laboratories, as well as a substantially improved estimation of molar-based BIT values. This suggests that standard mixtures should be used in order to obtain consistent, and molar-based, BIT values.

AB - Two commonly used proxies based on the distribution of glycerol dialkyl glycerol tetraethers (GDGTs) are the TEX86 (TetraEther indeX of 86 carbon atoms) paleothermometer for sea surface temperature reconstructions and the BIT (Branched Isoprenoid Tetraether) index for reconstructing soil organic matter input to the ocean. An initial round-robin study of two sediment extracts, in which 15 laboratories participated, showed relatively consistent TEX86 values (reproducibility ±3–4°C when translated to temperature) but a large spread in BIT measurements (reproducibility ±0.41 on a scale of 0–1). Here we report results of a second round-robin study with 35 laboratories in which three sediments, one sediment extract, and two mixtures of pure, isolated GDGTs were analyzed. The results for TEX86 and BIT index showed improvement compared to the previous round-robin study. The reproducibility, indicating interlaboratory variation, of TEX86 values ranged from 1.3 to 3.0°C when translated to temperature. These results are similar to those of other temperature proxies used in paleoceanography. Comparison of the results obtained from one of the three sediments showed that TEX86 and BIT indices are not significantly affected by interlaboratory differences in sediment extraction techniques. BIT values of the sediments and extracts were at the extremes of the index with values close to 0 or 1, and showed good reproducibility (ranging from 0.013 to 0.042). However, the measured BIT values for the two GDGT mixtures, with known molar ratios of crenarchaeol and branched GDGTs, had intermediate BIT values and showed poor reproducibility and a large overestimation of the “true” (i.e., molar-based) BIT index. The latter is likely due to, among other factors, the higher mass spectrometric response of branched GDGTs compared to crenarchaeol, which also varies among mass spectrometers. Correction for this different mass spectrometric response showed a considerable improvement in the reproducibility of BIT index measurements among laboratories, as well as a substantially improved estimation of molar-based BIT values. This suggests that standard mixtures should be used in order to obtain consistent, and molar-based, BIT values.

KW - TEX86

KW - BIT

KW - GDGT

KW - round robin

U2 - 10.1002/2013GC004904

DO - 10.1002/2013GC004904

M3 - Article

SN - 1525-2027

VL - 14

SP - 5263

EP - 5285

JO - Geochemistry, Geophysics, Geosystems

JF - Geochemistry, Geophysics, Geosystems

IS - 12

ER -

An interlaboratory study of TEX86 and BIT analysis of sediments, extracts, and standard mixtures

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