Cardiolipin (TMCL, TOCL, TLCL) order parameters (R-PDLF)

This dataset contains solid-state NMR spectra of three cardiolipins: tetra-myristoyl cardiolipin (TMCL), tetra-oleoyl cardiolipin (TOCL), and bovine heart cardiolipin (BHCL, ≥97% tetra-linoleoyl cardiolipin (TLCL)). Measurements were performed for pure lipids as well as for mixtures with n-octyl-beta-D-glucoside (bOG) or dimyristoylphosphatidylcholine (DMPC), and with different counter ions (Na+, Ca2+, TMA+).
All spectra were acquired on a Bruker Avance III HD 500 MHz spectrometer, using a Triple Resonance CP-MAS Probe (4mm). With the exception of liquid-state (ls) and static 31P experiments, all spectra were recorded with magic-angle spinning (MAS) at 5 kHz. Order parameters were determined using the R-type proton-detected local field (R-PDLF) experiment, as introduced in 10.1016/j.jmr.2004.03.001 (1H-13C R-PDLF with R18_1^7 recoupling and INEPT readout).
Lipids were purchased from Avanti Polar Lipids, while sodium trimethylsilylpropanesulfonate (DSS) and all other salts were purchased from Sigma-Aldrich. Type I Milli-Q water was used throughout and degassed by argon bubbling.

This work is part of the FAIRMD Lipids Databank project (formerly NMRlipids databank), see GitHub https://github.com/NMRLipids

本数据集包含三种心磷脂的固态核磁共振（solid-state NMR）波谱：四肉豆蔻酰心磷脂（tetra-myristoyl cardiolipin, TMCL）、四油酰心磷脂（tetra-oleoyl cardiolipin, TOCL）以及牛心脏心磷脂（bovine heart cardiolipin, BHCL，其纯度≥97%为四亚油酰心磷脂（tetra-linoleoyl cardiolipin, TLCL））。实验分别针对纯脂质，以及与正辛基-β-D-葡萄糖苷（n-octyl-beta-D-glucoside, bOG）或二肉豆蔻酰磷脂酰胆碱（dimyristoylphosphatidylcholine, DMPC）形成的混合物开展，并使用了不同的抗衡离子（Na+、Ca2+、TMA+）。
所有波谱均在布鲁克（Bruker）Avance III HD 500 MHz核磁共振波谱仪上采集，采用4 mm三重共振交叉极化-魔角旋转探头（Triple Resonance CP-MAS Probe）。除液态（ls）与静态31P实验外，所有波谱均以5 kHz的魔角旋转（magic-angle spinning, MAS）条件记录。序参量通过R型质子检测局域场（R-type proton-detected local field, R-PDLF）实验测定，该实验由文献DOI:10.1016/j.jmr.2004.03.001提出（采用R18_1^7重耦合与无畸变极化转移增强（INEPT）读出的1H-13C R-PDLF实验）。
脂质样品购自Avanti Polar Lipids公司，三甲基硅基丙磺酸钠（sodium trimethylsilylpropanesulfonate, DSS）与其余所有盐类均购自Sigma-Aldrich公司。全程使用I型Milli-Q超纯水，并通过氩气鼓泡进行脱气处理。
本数据集隶属于FAIRMD脂质数据库（FAIRMD Lipids Databank）项目（前身为NMRlipids数据库），相关资源可通过GitHub仓库https://github.com/NMRLipids获取。