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annasandtorvAnna.Sandtorv-Leroencomcon1
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Add DMPC order parameters from JACS 1997 (#386)
* Add DMPC order parameters from JACS 1997 * Add DMPC order parameters from JACS 1997 * Add DMPC order parameters more details * Add DMPC order parameters more details * Update experiments/OrderParameters/10.1021/acs.jacs.ja962951b/1/README.yaml Co-authored-by: Alexey Nesterenko <comconadin@gmail.com> * Update experiments/OrderParameters/10.1021/acs.jacs.ja962951b/1/README.yaml Co-authored-by: Alexey Nesterenko <comconadin@gmail.com> --------- Co-authored-by: Anna.Sandtorv-Leroen <ansan2976@uib.no> Co-authored-by: Alexey Nesterenko <comconadin@gmail.com>
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‎experiments/OrderParameters/10.1021/acs.jacs.ja962951b/1/DMPC_OrderParameters.json‎

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{
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"M_G2C14_M M_G2C14H1_M": [
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[-0.09, 0.02]
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],
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"M_G2C14_M M_G2C14H2_M": [
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[-0.09, 0.02]
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],
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"M_G1C14_M M_G1C14H1_M": [
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[-0.09, 0.02]
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],
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"M_G1C14_M M_G1C14H2_M": [
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[-0.09, 0.02]
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],
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"M_G2C13_M M_G2C13H1_M": [
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[-0.11, 0.02]
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],
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"M_G2C13_M M_G2C13H2_M": [
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[-0.11, 0.02]
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],
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"M_G1C13_M M_G1C13H1_M": [
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[-0.11, 0.02]
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],
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"M_G1C13_M M_G1C13H2_M": [
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[-0.11, 0.02]
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],
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"M_G2C4_M M_G2C4H1_M": [
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[-0.13, 0.02]
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],
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"M_G2C4_M M_G2C4H2_M": [
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[-0.13, 0.02]
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],
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"M_G1C4_M M_G1C4H1_M": [
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[-0.19, 0.02]
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],
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"M_G1C4_M M_G1C4H2_M": [
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[-0.19, 0.02]
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],
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"M_G2C3_M M_G2C3H1_M": [
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[-0.09, 0.02]
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],
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"M_G2C3_M M_G2C3H2_M": [
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[-0.14, 0.02]
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],
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"M_G1C3_M M_G1C3H1_M": [
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[-0.21, 0.02]
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],
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"M_G1C3_M M_G1C3H2_M": [
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[-0.21, 0.02]
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],
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"M_G1_M M_G1H1_M": [
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[0.00, 0.02]
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],
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"M_G1_M M_G1H2_M": [
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[-0.15, 0.02]
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],
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"M_G2_M M_G2H1_M": [
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[-0.20, 0.02]
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],
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"M_G2_M, M_G2H2_M": [
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[-0.20, 0.02]
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],
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"M_G3_M, M_G3H1_M": [
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[-0.23, 0.02]
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],
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"M_G3_M, M_G3H2_M": [
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[-0.23, 0.02]
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],
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"M_G3C4_M, M_G3C4H1_M": [
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[0.04, 0.02]
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],
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"M_G3C4_M, M_G3C4H2_M": [
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[0.04, 0.02]
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],
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"M_G3C5_M, M_G3C5H1_M": [
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[-0.03, 0.02]
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],
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"M_G3C5_M, M_G3C5H2_M": [
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[-0.03, 0.02]
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]
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}

‎experiments/OrderParameters/10.1021/acs.jacs.ja962951b/1/README.yaml‎

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ARTICLE_DOI: 10.1021/ja962951b
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DATE: 1997
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TEMPERATURE: 303
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MEMBRANE_COMPOSITION:
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DMPC: 1
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SOLUTION_COMPOSITION:
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# empty
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PH: UNKNOWN
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REAGENT_SOURCES:
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DMPC: Avanti Polar Lipids (purchased in chloroform, solvent removed under N2 and vacuum)
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water: D2O
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TOTAL_HYDRATION: 50.0
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NMR:
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T_RF_HEATING: UNKNOWN
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INSTRUMENT: Custom designed spectrometer (397.9 MHz for 1H), 5 mm Doty high-speed spinning assembly
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METHOD: PDLF:DROSS
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SIGN_MEASURED: S-DROSS
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DETAILS: >
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At the C2 position, the sn-1 chain has a single value (degenerate), while the sn-2 chain exhibits two distinct values due to motional
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inequivalence (forking). The identification of which value belonged to the sn-1 chain was determined using Seelig, A. and
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Seelig, J. (Biochemistry 1974, 13, 4839). The stereospecific assignment of the two sn-2 values to specific hydrogens was
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estimated based on experimental values for POPC at 300K (DOI: 10.1039/c2cp42738a).
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# outdated fields
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MOLAR_FRACTIONS:
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DMPC: 1
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ION_CONCENTRATIONS:
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POT: 0
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SOD: 0
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CLA: 0
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CAL: 0
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TOTAL_LIPID_CONCENTRATION: 1.64
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COUNTER_IONS:
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