TOCL_Na

This dataset contains NMR spectra obtained for the sample -TOCL_Na Nucleus: 13C NMR Solvent: H2O+D2O NMR Probe: H8609_0043 (PH MAS 500WB BL4 X/Y/H DVT) NMR Pulse Sequence: null Temperature: 297.9959 Observed Frequency: 125.78746 Magnetic Field Strength: 11.747332789100614 Number of Scans: 2048 NMR Pulse Sequence: NEA_ineptrd Spectral Width: 138.974853232206 Number of Data Points: 1746 Relaxation Delay: 5 Observed Frequency: 125.7962651222 Nucleus: 1H NMR Solvent: H2O+D2O NMR Probe: H8609_0043 (PH MAS 500WB BL4 X/Y/H DVT) NMR Pulse Sequence: null Temperature: 295.9999 Observed Frequency: 500.248 Magnetic Field Strength: 11.749122218330188 Number of Scans: 16 NMR Pulse Sequence: onepulse Spectral Width: 19.9900085939046 Number of Data Points: 3006 Relaxation Delay: 8 Observed Frequency: 500.24991 Nucleus: 31P NMR Solvent: H2O+D2O NMR Probe: H8609_0043 (PH MAS 500WB BL4 X/Y/H DVT) NMR Pulse Sequence: 1d Temperature: 295.9869 Observed Frequency: 202.504102 Magnetic Field Strength: 11.745385617451017 Number of Scans: 256 NMR Pulse Sequence: NEA_zg30bbdec Spectral Width: 201.284167395372 Number of Data Points: 5702 Relaxation Delay: 6 Observed Frequency: 202.504102 Nucleus: 31P NMR Solvent: H2O+D2O NMR Probe: H8609_0043 (PH MAS 500WB BL4 X/Y/H DVT) NMR Pulse Sequence: 1d Temperature: 295.9951 Observed Frequency: 202.504102 Magnetic Field Strength: 11.745385617451017 Number of Scans: 1024 NMR Pulse Sequence: NEA_zg30bbdec Spectral Width: 201.284167395372 Number of Data Points: 4072 Relaxation Delay: 6 Observed Frequency: 202.504102 Nucleus: 13C,1H NMR Solvent: H2O+D2O NMR Probe: H8609_0043 (PH MAS 500WB BL4 X/Y/H DVT) NMR Pulse Sequence: null Temperature: 297.9944 Observed Frequency: 125.78746,500.248 Magnetic Field Strength: 11.747332789100614 Number of Scans: 256 NMR Pulse Sequence: NEA_RPDLF Spectral Width: 138.974853232206,4.99752988789391 Number of Data Points: 1746,32 Relaxation Delay: 6 Observed Frequency: 125.7962651222,500.2471333

TOCL (30.0mg, 1.0 eq.) was dissolved with 10ml chloroform:methanol (2:1, v/v) in a 50ml pear
shaped flask and the solvent was slowly evaporated under reduced pressure (250mbar, 40°C) to
yield liposomes. A solution of Na2B4O17H20 (7.6mg, 1.0eq.) and BOH3 (4.9mg, 4.0eq.) in 5ml de-
gassed water was prepared and added to the flask. Formed white flakes disapeared after rotating the
flask at 800mbar for one minute. The Folch method was performed and 20ml chloroform:methanol
(2:1, v/v) were added to the aqueous phase. An emulsion formed after shaking the mixture, a ho-
mogeneous and clear solution formed after adding 3.3ml methanol. A phase separation occurred
and the lower phase was dried under a constant stream of argon at 40°C over night. The predried
sample was freeze-dried over night, 20.0µl degassed water was added and the Eppendorf was stored
at 50°C for one day. Lost water was added and the sample was mixed thoroughly with a steel rod.
After another day of equilibration the sample was again mixed before packing the insert.

本数据集包含针对样品-TOCL_Na采集的核磁共振波谱（Nuclear Magnetic Resonance, NMR）数据，具体参数如下：
1. 碳-13核磁共振（¹³C NMR）：
溶剂：H₂O+D₂O；核磁共振探头：H8609_0043 (PH MAS 500WB BL4 X/Y/H DVT)；核磁共振脉冲序列：无；温度：297.9959；观测频率：125.78746；磁场强度：11.747332789100614；扫描次数：2048；核磁共振脉冲序列：NEA_ineptrd；谱宽：138.974853232206；数据点数：1746；弛豫延迟：5。
2. 氢-1核磁共振（¹H NMR）：
溶剂：H₂O+D₂O；核磁共振探头：H8609_0043 (PH MAS 500WB BL4 X/Y/H DVT)；核磁共振脉冲序列：无；温度：295.9999；观测频率：500.248；磁场强度：11.749122218330188；扫描次数：16；核磁共振脉冲序列：onepulse；谱宽：19.9900085939046；数据点数：3006；弛豫延迟：8；观测频率：500.24991。
3. 磷-31核磁共振（³¹P NMR）第一次实验：
溶剂：H₂O+D₂O；核磁共振探头：H8609_0043 (PH MAS 500WB BL4 X/Y/H DVT)；核磁共振脉冲序列：1d；温度：295.9869；观测频率：202.504102；磁场强度：11.745385617451017；扫描次数：256；核磁共振脉冲序列：NEA_zg30bbdec；谱宽：201.284167395372；数据点数：5702；弛豫延迟：6；观测频率：202.504102。
4. 磷-31核磁共振（³¹P NMR）第二次实验：
溶剂：H₂O+D₂O；核磁共振探头：H8609_0043 (PH MAS 500WB BL4 X/Y/H DVT)；核磁共振脉冲序列：1d；温度：295.9951；观测频率：202.504102；磁场强度：11.745385617451017；扫描次数：1024；核磁共振脉冲序列：NEA_zg30bbdec；谱宽：201.284167395372；数据点数：4072；弛豫延迟：6；观测频率：202.504102。
5. 碳-13与氢-1双共振核磁共振（¹³C,¹H NMR）：
溶剂：H₂O+D₂O；核磁共振探头：H8609_0043 (PH MAS 500WB BL4 X/Y/H DVT)；核磁共振脉冲序列：无；温度：297.9944；观测频率：125.78746、500.248；磁场强度：11.747332789100614；扫描次数：256；核磁共振脉冲序列：NEA_RPDLF；谱宽：138.974853232206、4.99752988789391；数据点数：1746、32；弛豫延迟：6；观测频率：125.7962651222、500.2471333。

样品制备流程如下：
将TOCL（30.0mg，1.0当量）溶解于10ml氯仿-甲醇（2:1，体积比，v/v）混合溶剂中，转移至50ml梨形烧瓶中，随后在250mbar、40℃条件下缓慢减压蒸除溶剂，得到脂质体。配制7.6mg（1.0当量）Na₂B₄O₁₇H₂₀与4.9mg（4.0当量）H₃BO₃的5ml脱气水溶液，将该溶液加入上述烧瓶中。在800mbar下旋转烧瓶1分钟后，体系中形成的白色絮状物消失。采用福奇萃取法（Folch method）处理体系：向水相中加入20ml氯仿-甲醇（2:1，体积比，v/v），振摇后形成乳浊液，再加入3.3ml甲醇后得到均一澄清溶液。待相分离完成后，将下层有机相置于40℃氩气气流中过夜干燥。将预干燥后的样品再次冷冻干燥过夜，加入20.0μl脱气水，将Eppendorf离心管置于50℃下存放1天。补充丢失的水分后，用钢棒充分混匀样品。平衡1天后再次混匀样品，随后装入核磁样品套管（insert）中。