------------------- GENERAL INFORMATION ------------------- Recommended citation for the data: Das, Soumi; Zheng, Caini; Calabrese, Michelle A; Reineke, Theresa M; Siepmann, Ilja J; Mahanthappa, Mahesh K; Lodge, Timothy P. (2024). Supporting Data for Self-Assembly of Unusually Stable Thermotropic Network Phases by Cellobiose-Based Guerbet Glycolipids. Retrieved from the Data Repository for the University of Minnesota, https://doi.org/10.13020/3m8x-1c14. Title of Dataset: Supporting Data for Self-Assembly of Unusually Stable Thermotropic Network Phases by Cellobiose-Based Guerbet Glycolipids Author Information: Principal Investigator Contact Information Name: Theresa M. Reineke Institution: University of Minnesota Address: Department of Chemistry, University of Minnesota, 207 Pleasant St. SE, Minneapolis, Minnesota, 55455, United States Email: treineke@umn.edu ORCID: 0000-0001-7020-3450 Associate or Co-investigator Contact information Name: Michelle A. Calabrese Institution: University of Minnesota Address: Department of Chemical Engineering & Materials Science, , 421 Washington Ave. SE, Minneapolis, Minnesota, 55455, United States Email: mcalab@umn.edu ORCID: 0000-0003-4577-6999 Associate or Co-investigator Contact Information Name: J. Ilja Siepmann Institution: University of Minnesota Address: Department of Chemistry, 207 Pleasant St. SE, Minneapolis, Minnesota, 55455, United States Email: ijla siepmann@umn.edu ORCID: 0000-0003-2534-4507 Associate or Co-investigator Contact Information Name: Mahesh K. Mahanthappa Institution: University of Minnesota Address: Department of Chemical Engineering & Materials Science, 421 Washington Ave. SE, Minneapolis, Minnesota, 55455, United States. Email: maheshkm@umn.edu ORCID: 0000-0002-9871-804X Associate or Co-investigator Contact Information Name: Timothy P. Lodge Institution: University of Minnesota Address: Department of Chemistry, University of Minnesota, 207 Pleasant St. SE, Minneapolis, Minnesota, 55455, United States Email: lodge@umn.edu ORCID: 0000-0001-5916-8834 Associate or Co-investigator Contact Information Name: Soumi Das Institution: University of Minnesota Address: Department of Chemistry, University of Minnesota, 207 Pleasant St. SE, Minneapolis, Minnesota, 55455, United States Email: das00102@umn.edu ORCID: 0000-0002-0646-0513 Associate or Co-investigator Contact Information Name: Caini Zheng Institution: University of Minnesota Address: Department of Chemistry, University of Minnesota, 207 Pleasant St. SE, Minneapolis, Minnesota, 55455, United States Email: zhen0256@umn.edu ORCID: Date of data collection (single date, range, approximate date): 20210901-20230730< YYYYMMDD> Geographic location of data collection (where was data collected?): University of Minnesota, Argonne National Laboratory Information about funding sources that supported the collection of the data: This work was supported primarily by the U.S. National Science Foundation through the University of Minnesota MRSEC under Award Number DMR-2011401. This research used resources of the Advanced Photon Source, a U.S. Department of Energy (DOE) Office of Science User Facility, operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. SAXS experiments were carried out at Sector 5 and Sector 12 of the Advanced Photon Source. The Sector 5 DuPont-Northwestern-Dow Collaborative Access Team (DND-CAT) was supported by E.I. DuPont de Nemours & Co., the Dow Chemical Company, and Northwestern University -------------------------- SHARING/ACCESS INFORMATION -------------------------- 1. Licenses/restrictions placed on the data: CC0 1.0 Universal http://creativecommons.org/publicdomain/zero/1.0/ 2. Links to publications that cite or use the data: S. Das, C. Zheng, T. P. Lodge, J. I. Siepmann, M. K. Mahanthappa, M. A. Calabrese, T. M. Reineke, Biomacromolecules 2024, 25, 2, 1291-1302. 3. Links to other publicly accessible locations of the data: N/A 4. Links/relationships to ancillary data sets: N/A 5. Was data derived from another source? N/A --------------------- DATA & FILE OVERVIEW --------------------- a-Cel-CxCy represents ⍺-cellobioside with -CxCy Guerbet chain where x= 6,8,10,12,14 & y= 2,4,6,8,10 b-Cel-CxCy represents β-cellobioside with -CxCy Guerbet chain where x= 6,8,10,12,14 & y= 2,4,6,8,10 -------------------------- METHODOLOGICAL INFORMATION -------------------------- 1. Description of methods used for collection/generation of data: General Glycolipid Synthesis Procedure Guerbet cellobiosides with varying branched alkyl tail lengths were synthesized in two steps following a well-established procedure typically starting from alpha-D-cellobiose octaacetate.25, 27-28 We present a representative synthesis of one such compound. The first step comprised a Lewis acid-mediated direct glycosylation reaction using acetyl-protected cellobiose with Guerbet alcohol. Reactions using the Lewis acid BF3•Et2O generally yielded 1:2 mixtures of the ⍺- and β-cellobioside peracetates, from which pure β-anomers could be chromatographically isolated. On the other hand, glycosylations mediated by SnCl4 yielded 3:1 mixtures of ⍺- and β-cellobioside peracetates. The latter reaction mixtures were chromatographically separated to yield the pure ⍺-anomers. Briefly, ⍺-D-cellobiose octaacetate (1.5 mmole, 1 eq.) was dissolved with a magnetic stir bar under nitrogen atmosphere in anhydrous dichloromethane (20 mL). Upon obtaining a homogeneous solution, the selected Lewis acid (7.4 mmole, 5 Equiv.) was added. Finally, the desired Guerbet alcohol (2.2 mmole, 1.5 Equiv.) was added dropwise to the reaction mixture at 0 ˚C and upon completion of alcohol addition, the reaction was brought to ambient temperature gradually and allowed to react for 48 h. The reaction mixture was then diluted with CH2Cl2 and quenched with saturated NaHCO3 (aq) followed by extraction with CH2Cl2 (3 X 20 mL) The combined organic layer was further washed with saturated NaCl(aq) (15 mL)) and dried over anhydrous Na2SO4(s). The crude reaction mixture was concentrated by rotary evaporation and purified by column chromatography using ethyl acetate/hexane solvent system as follows (specific solvent systems are specified with each compound below). The acetyl ester of the respective alkanols, a side product of the reaction, was first eluted with pure hexanes. Subsequently, the desired anomers were collected by using a hexane:ethyl acetate mixture. Depending upon the Guerbet chain length, the ethyl acetate/ hexane % v/v also varied from 36% v/v (for –C14C10 Guerbet chain) to 42% v/v (for –C6C2 Guerbet chain). The first and last few fractions provided pure β and ⍺-anomers respectively, whereas the major middled fractions contained mixture of both anomers. In the case of SnCl4-mediated reaction, the first few fractions produced the mixture of anomers, and later fractions yielded pure glycolipids anomer. The fractions containing anomerically pure peracetates were isolated and their purities were confirmed by 1H NMR. The Guerbet glycoloipid peracetates were then deprotected by Zemplén deacetylation as follows.28 The peracetylated glycolipid was dissolved in MeOH and the reaction basicity was adjusted to pH 9 with solid NaOMe at 22 °C. Complete deacetylation was indicated by TLC after 16 h. It was followed by ion exchange with Dowex® resin (H+ form). After the removal of the resin by filtration, the desired glycolipids were isolated by concentrating the filtrate. The obtained glycolipids were also characterized by 1H and 13C NMR spectroscopy. All the samples were lyophilized for 4 d to exhaustively remove trace water from these hygroscopic compounds. Differential Scanning Calorimetry (DSC): Differential scanning calorimetry (DSC) experiments to identify thermotropic transitions employed a Mettler Toledo DSC 1 instrument with cooling accessories operating under N2(g) equipped. DSC samples were prepared by sealing ~5-8 mg of the lyophilized glycolipids into Tzero aluminum pans (DSC Consumables, Austin, MN). After equilibrating the samples at 25 °C, DSC data were acquired on heating at 5 °C/min and analyzed using the TA Instruments thermal analysis software. Reported data and thermograms reflect the first sample heating, which clearly exhibited mobility transitions and thermotropic liquid crystalline phase transitions. Polarized Optical Microscopy (POM) POM studies of liquid crystal phase textures employed an Olympus BX53 polarizing light microscope, which was equipped with a Linkam LTS420 hot stage and T95 temperature controller operated by the Linksys 32 software. Digital image capture relied on a QiCam Fast 1394 12-bit camera. Dried glycolipid samples were placed onto clean microscope slides. A coverslip with silicone grease applied along the edges was placed on top of the sample to protect it from atmospheric contact to minimize moisture uptake. The samples were heated at a rate of 10 °C/min to a particular temperature and annealed for at least 5 minutes prior to taking an observation. Small-Angle X-ray Scattering (SAXS) Sample Preparation: 30 mg of lyophilized glycolipid sample was hermetically sealed in a TZero aluminum DSC pan (TA instruments, New Castle, DE, USA) under argon in an inert atmosphere glovebox to prevent unwanted moisture uptake. Measurement: Variable temperature SAXS analyses were conducted at the 5-ID-D and 12-ID-B beamlines of the Advanced Photon Source (Argonne, IL). Samples were either loaded into a sample array stage available at the beamline that furnished stable temperature control (± 3 °C) over the range T = 25–205 °C, or they were thermostatted on a Linkam hot-stage (±1 °C temperature stability). Samples were heated to a target temperature at a rate of 10 °C/min and thermally equilibrated for at least 10 min prior to X-ray exposure. Analyses conducted at the 5-ID-D beamline employed a 8.5 sample-to-detector distance (SDD) with a beam energy of 17 keV, while experiments at the 12-ID-B beamline used a 3.6 m SDD with 12 keV beam energy. In both cases, flight tubes for the incident and scatter beams were under vacuum to minimize air scattering. At the 5-ID-D beamline, 2D-SAXS patterns were obtained using a series of three annual Rayonix MX170–HS detectors with 3840 × 3840 resolution (86.6 × 86.6 μm pixels) with a 170 × 170 mm2 active area. At the 12-ID-B beamline, 2D-SAXS patterns were collected on a Pilatus 2M detector with 1475 × 1679 resolution (172 × 172 μm2 pixels) with 253.7 × 288.8 mm2 active area and 2D-WAXS patterns were obtained using a Pilatus 300 K detector 487 x 619 resolution (172 × 172 μm2 pixels) with 33.5 × 83.8 mm2 active area. These conditions enabled acquisition of scattering patterns over a range of scattering wavevector values 0.003 ≤ |q| ≤ 0.5 Å-1. To ensure sample homogeneity at each temperature, five 2D-SAXS patterns were recorded at different locations in each sample pan. The 2D scattering data were azimuthally integrated to obtain the scattered intensity I(q) as a function of |q| = 4πsin(θ/2) / λ, where θ is the scattering angle and λ is the incident beam wavelength. The presented SAXS data (Figure S12-S17) is in its original form without any background subtraction and the Bragg peaks for ordered morphologies indexed with 1D-SAXS indexing macro for Igor Pro. Calculation of Volume Fractions: The volume fraction of the lipid tail (ϕl) can be determined using the equation ϕl = Vtail / (Vtail +Vhead), where Vtail and Vhead refer to the molar volume of the lipid tail and head group, respectively. However, to the best of our knowledge, temperature-dependent data for the molar volume or the specific density of glycolipids are lacking nor have the volume contributions from the lipid tail and sugar head groups been determined. In pioneering work on the packing of glycolipids, Nguan et al. suggested specific densities of 1.5 g/cm3 and 0.8 g cm−3 for the sugar head and lipid tail, respectively, at room temperature based on experimental data for crystalline or amorphous sugars and paraffins. Nguan et al. also suggested density−temperature coefficients with values of “Δ𝜌(T) = −0.06 g m−1 K−1 for the sugar and −0.1 g m−1 K−1 for the paraffin” but these latter values appear problematic with regard to unit and magnitude. Here, we present density calculations based on data from our molecular dynamics simulations in the isobaric−isothermal ensemble. The MD simulations were conducted for α-anomers and β-anomers with four different tail lengths at three temperatures (390 K, 420 K, and 450 K) at 1 bar. The simulations were equilibrated for 500 ns and ensemble averages were obtained over an additional period of 100 ns. The values for the specific density are reported in Table S4. Assuming no volume change upon mixing, the total volume of a glycolipid is the summation of head and tail volume "M" _"glycolipid" /"ρ" _"glycolipid" "=" "M" _"head" /"ρ" _"head" "+" "M" _"tail" /"ρ" _"tail" (1) where Mx and ρx stand for molar mass and specific density of compound/group x, respectively. Transformation of eqn. (1) leads to eqn. (2), "1" /"ρ" _"glycolipid" "=" "1" /"ρ" _"head" "+ (" "1" /"ρ" _"tail" –"1" /"ρ" _"head" ")" "M" _"tail" /"M" _"glycolipid" (2) which can be used to fit the inverse of glycolipid density (1/ρglycolipid) as a linear function of the molar mass fraction of the tail (Mtail/Mglycolipid). The intercept of the linear function (see Figures S28 and S29) yields the inverse of the specific density of the sugar head group, and the slope can be used to obtain the inverse of the specific density of the lipid. The resulting values for the specific densities of the head and tail groups for the two anomers and three temperatures are reported in Table S4. The differences in the head and tail densities between the anomers are very small (< 0.6%), and we use linear fits (based on values for both anomers) to determine the specific density–temperature relations for the head and tail groups: 𝜌head(T) = 1.742 g cm−3 – 0.00098 g cm−3 K−1×T (3) 𝜌tail(T) = 1.045 g cm−3 – 0.00071 g cm−3 K−1×T (4) At room temperature, eqns. (3) and (4) yield values of 1.450 and 0.833 g cm−3 for the specific densities of the sugar head and lipid tail groups that differ by 4% but in opposite direction from the values suggested by Nguan et al. In addition, the magnitude of the density–temperature coefficient is found here to be larger for the sugar head group than the lipid tail group, whereas the opposite is true for the values suggested by Nguan et al. Thus, the deviation between volume fractions based on the density values obtained by eqns. (3) and (4) and those suggested in the literature will increase with increasing temperature. The value of 1.450 g cm−3 for the sugar head group in the partially disordered lamellar phase also appears reasonable compared to the specific density of crystalline cellobiose of 1.560 g/cm3.31 On the other hand, the specific density values of 0.768 and 0.726 g cm−3 for the lipid tail group at 390 and 450 K, respectively, fall about 3% about those for liquid n-hexadecane at 45 MPa and the corresponding temperatures; that is, reflecting the packing constraints of the partially disordered lamellar phase. We recommend the use of eqns. (3) and (4) for the estimation of volume fractions for glycolipids. Molecular Dynamics Simulation of ⍺-Cel-C8C4 and β-Cel-C8C4: Molecular dynamics simulation is conducted to study the phase behavior of a-Cel-C8C4 and b-Cel-C8C4 at 390 K. To model the glycolipids, a combined force field is applied, where CHARMM all-atom potentials and TraPPE united-atom potentials are used to model the sugar head and the alkyl tail, respectively. The initial LAM configuration is constructed by inserting the glycolipids into an orthorhombic simulation cell using the Packmol package. The simulation is then carried out using GROMACS 201941 with isothermal-isobaric (NPT) ensemble, where the simulation box is allowed to fluctuate in three dimensions independently. The Berendsen thermostat with a time constant of 0.4 ps and Berendsen barostat with a time constant of 10 ps is used for temperature and pressure coupling. Both systems are allowed to equilibrate for over 1.8 μs, after which 200 ns simulation was performed for production run and used for analysis. The resulting data is averaged over the 200 ns time window. 2. Methods for processing the data: N/A 3. Instrument- or software-specific information needed to interpret the data: Mestronova needs to be used for NMR data Igor Pro/ Origin needs to be used for SAXS data Excel/Origin needs to be used for DSC data 4. Standards and calibration information, if appropriate: N/A 5. Environmental/experimental conditions: N/A 6. Describe any quality-assurance procedures performed on the data: N/A 7. People involved with sample collection, processing, analysis and/or submission: S.D., C.Z. involved with sample collection, data processing; M.A.C., T.M.R., J.I.S., M.K.M., T.P.L. involved with data analysis and submission. ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Main Text Figures ----------------------------------------- Figure 1: Filename: figure 1 SAXS intensity profiles for a-cellobiosides and b-cellobiosides at 115 ˚C Short description: This file contains X-ray scattering data and and plot of a-cellobiosides and b-cellobiosides at 115 ˚C with Guerbet chain length of -C8C4, -C10C6, -C12C8, -C14C10. Figure 2: Filename: Figure 2 Temperature-dependent synchrotron SAXS patterns of for a-Cel-C14C10 and b-Cel-C10C6 Short description: This file contains X-ray scattering data and and plot of a-Cel-C14C10 and b-Cel-C10C6 at 25, 55, 85, 115, 145, 175, 185˚C. Figure 3: Filename: figure 3 Phase behavior of dry a-cellobiosides and b-cellobiosides Short description: This file contains X-ray scattering, Polarizing optical microscopy and DSC data of a-cellobiosides and b-cellobiosides with Guerbet chain length of -C8C4, -C10C6, -C12C8, -C14C10 within temperature range of 25-235˚C. Figure 4: Filename: figure 4 1/T versus hydrophobic volume fraction morphology diagram for a-Guerbet cellobiosides and b-Guerbet cellobiosides Short description: This file contains Calculation of volume fractions of a- and b- cellobiosides with Guerbet chain length of -C8C4, -C10C6, -C12C8, -C14C10 within temperature range of 25-235˚C. It also contains the plot of 1/T versus hydrophobic volume fraction of a- and b- cellobiosides. Figure 5: A. Filename: figure5b_a_cel_c8c4.npy Short description: This file contains computed distance lp in a-Cel-C8C4 in Figure 5b. B. Filename: figure_5b_b_cel_c8c4.npy Short description: This file contains a collection of distance lp in b-Cel-C8C4 in Figure 5b. C. Filename: Figure_5b.png Short description: Figure 5b with high resolution. D. Filename: Figure_5c.npy Short description: This file contains computed tail splay angle (V1-V2) and angle between long axis of the head group and the normal to the tail plane (V0-Vnorm) for a-Cel-C8C4 Figure 5c. E. Filename: Figure_5c.png Short description: Figure 5c with high resolution. F. Filename: Figure_5d.npy Short description: This file contains computed tail splay angle (V1-V2) and angle between long axis of the head group and the normal to the tail plane (V0-Vnorm) for b-Cel-C8C4 Figure 5c. G. Filename: Figure_5d.png Short description: Figure 5d with high resolution. Figure 6: Filename: Figure 6 POM image of a and b-Cel-C8C4 Short description: This file contains Polarizing optical microscopy (POM) images of a-Cel-C8C4 and b-Cel-C8C4 during cooling and heating respectively Table 1: Filename: table 1 Thermal and Structural Characterization of a- and b-cellobioside Short description: This file contains DSC data of a-cellobiosides and b-cellobiosides with Guerbet chain length of -C6C2, -C8C4, -C10C6, -C12C8, -C14C10 within temperature range of 25-235˚C and SAXS data of all compounds at 115˚C. It also contains the lattice parameter data of all compounds at 115˚C obtained from the SAXS data. ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Supplementary Figures ----------------------------------------- Figure S1-S10: Filename: figure S1-S10 1H and 13C of all compounds Short description: This file contains 1H and 13C NMR data of a- and b-cellobioside with Guerbet chain length of -C6C2, -C8C4, -C10C6, -C12C8, -C14C10. Figure S11: Filename: figure S11 DSC of all compounds Short description: This file contains DSC data of a- and b-cellobioside with Guerbet chain length of -C6C2, -C8C4, -C10C6, -C12C8, -C14C10 within temperature range of 25-235˚C. Figure S12: Filename: figure S12 Variable Temperature SAXS profile of a-Cel-C6C2 and b-Cel-C6C2 Short description: This file contains X-ray scattering data and and plot of a-Cel-C6C2 and b-Cel-C6C2 at temperatures 25, 55, 85, 115, 145, 175˚C. Figure S13: Filename: figure S13 Variable Temperature SAXS profile of a-Cel-C8C4 and b-Cel-C8C4 Short description: This file contains X-ray scattering data and and plot of a-Cel-C8C4 and b-Cel-C8C4 at temperatures 25, 55, 85, 115, 145, 185, 205˚C. Figure S14: Filename: figure S14 Variable Temperature SAXS profile of a-Cel-C10C6 and b-Cel-C10C6 Short description: This file contains X-ray scattering data and and plot of a-Cel-C10C6 and b-Cel-C10C6 at temperaturse 25, 55, 85, 115, 145, 175˚C. Figure S15: Filename: figure S15 Variable Temperature SAXS profile of a-Cel-C12C8 and b-Cel-C12C8 Short description: This file contains X-ray scattering data and and plot of a-Cel-C12C8 and b-Cel-C12C8 at temperatures 25, 55, 85, 115, 145, 175˚C. Figure S16: Filename: figure S16 Variable Temperature SAXS profile of a-Cel-C14C10 and b-Cel-C14C10 Short description: This file contains X-ray scattering data and and plot of a-Cel-C14C10 and b-Cel-C14C10 at temperatures 25, 55, 85, 115, 145, 185˚C. Figure S17: Filename: figure S17 2D-SAXS Patterns of the Cellobiosides at 115 ˚C Short description: This file contains 2D-SAXS Patterns of a- and b-cellobioside with Guerbet chain length of -C6C2, -C8C4, -C10C6, -C12C8, -C14C10 at 115˚C. Figure S18: Filename: figure S18 Variable Temperature WAXS Patterns of the Cellobiosides Short description: This file contains WAXS data and plot of b-Cel-C8C4 at temperatures 25, 55, 85, 115, 145, 185, 205˚C. Figure S19: Filename: figure S19 POM Images of all Glycolipids Short description: This file contains POM images a- and b-cellobioside with Guerbet chain length of -C6C2, -C8C4, -C10C6, -C12C8, -C14C10. Figure S20: Filename: figure S20 SAXS Patterns of DG Phases Formed After Cooling Cellobioside LCs Short description: This file contains SAXS data and 2D SAXS patterns of a-Cel-C10C6 and b-Cel-C14C10at 25 ˚C after immediate cooling from their isotropic state. Figure S21: A. Filename: a_cel_c8c4_saxs.dat Short description: This file contains computed structure factor for a-Cel-C8C4 in Figure S21a. B. Filename: Figure_s21a.png Short description: Figure S21a with high resolution. C. Filename: b_cel_c8c4_saxs.dat Short description: This file contains computed structure factor for b-Cel-C8C4 in Figure S21b. D. Filename: Figure_s21b.png Short description: Figure S21b with high resolution. Figure S22: A. Filename: Figure_s22a.npy Short description: This file contains computed distance between CA-CT1 and distance between CA-CT2 for a-Cel-C8C4 in Figure S22a. B. Filename: Figure_s22a.png Short description: Figure S22a with high resolution. C. Filename: Figure_s22b.npy Short description: This file contains computed distance between CA-CT1 and distance between CA-CT2 for b-Cel-C8C4 in Figure S22a. D. Filename: Figure_s22b.png Short description: Figure S22b with high resolution. Figure S23 A. Filename: Figure_s23a.npy Short description: This file contains computed angle between V0-V1 and angle between V0-V2 for a-Cel-C8C4 in Figure S23a. B. Filename: Figure_s23a.png Short description: Figure S23a with high resolution. C. Filename: Figure_s23b.npy Short description: This file contains computed angle between V0-V1 and angle between V0-V2 for b-Cel-C8C4 in Figure S23b. D. Filename: Figure_s23b.png Short description: Figure S23b with high resolution. Figure S24: A. Filename: a_cel_c8c4_head_density.xvg Short description: This file contains the sugar head density along the z-axis in a-Cel-C8C4 in Figure S24a. B. Filename: a_cel_c8c4_methyl_density.xvg Short description: This file contains the methyl group density along the z-axis in a-Cel-C8C4 in Figure S24a. C. Filename: a_cel_c8c4_tail_density.xvg Short description: This file contains the tail density along the z-axis in a-Cel-C8C4 in Figure S24a. D. Filename: a_cel_c8c4_monolayer_density.npy Short description: This file contains the monolayer density along the z-axis in a-Cel-C8C4 in Figure S24a. E. Filename: Figure_s24a.png Short description: Figure S24a with high resolution. F. Filename: b_cel_c8c4_head_density.xvg Short description: This file contains the sugar head density along the z-axis in b-Cel-C8C4 in Figure S24b. G. Filename: b_cel_c8c4_methyl_density.xvg Short description: This file contains the methyl group density along the z-axis in b-Cel-C8C4 in Figure S24b. H. Filename: b_cel_c8c4_tail_density.xvg Short description: This file contains the tail density along the z-axis in b-Cel-C8C4 in Figure S24b. I. Filename: b_cel_c8c4_monolayer_density.npy Short description: This file contains the monolayer density along the z-axis in b-Cel-C8C4 in Figure S24b. J. Filename: Figure_s24b.png Short description: Figure S24b with high resolution. Figure S25: A. Filename: a_cel_c8c4_density.xvg Short description: This file contains density of a-Cel-C8C4 along the z-axis in Figure S25. B. Filename: b_cel_c8c4_density.xvg Short description: This file contains density of b-Cel-C8C4 along the z-axis in Figure S25. C. Filename: Figure_s25.png Short description: Figure S25 with high resolution. Figure S26: A. Filename: a_cel_c8c4_interlayer_hbond.npy Short description: This file contains the interlayer H-bonds computed for a-Cel-C8C4 in Figure S26a. B. Filename: Figure_s26a.png Short description: Figure S26a with high resolution. C. Filename: b_cel_c8c4_interlayer_hbond.npy Short description: This file contains the interlayer H-bonds computed for b-Cel-C8C4 in Figure S26b. D. Filename: Figure_s26b.png Short description: Figure S26b with high resolution. E. Filename: a_cel_c8c4_intralayer_hbond.npy Short description: This file contains the intralayer H-bonds computed for a-Cel-C8C4 in Figure S26c. F. Filename: Figure_s26c.png Short description: Figure S26c with high resolution. G. Filename: b_cel_c8c4_intralayer_hbond.npy Short description: This file contains the intralayer H-bonds computed for b-Cel-C8C4 in Figure S26b. H. Filename: Figure_s26d.png Short description: Figure S26d with high resolution. Figure S27: A. Filename: a_cel_c8c4_angle2norm.npy Short description: This file contains computed angle between sugar head and layer norm for a-Cel-C8C4 in Figure S27. B. Filename: b_cel_c8c4_angle2norm.npy Short description: This file contains computed angle between sugar head and layer norm for b-Cel-C8C4 in Figure S27. C. Filename: Figure_s27.png Short description: Figure S27 with high resolution. Figure S28: A. Filename: density_data.xlsx Short description: This file contains the summary of density for alpha- and beta-anomers at different temperatures. B. Filename: a_cel_c8c4_390k.xvg Short description: This file contains the computed density of a-Cel-C8C4 as a function of simulation time at 390 K. C. Filename: a_cel_c10c6_390k.xvg Short description: This file contains the computed density of a-Cel-C10C6 as a function of simulation time at 390 K. D. Filename: a_cel_c12c8_390k.xvg Short description: This file contains the computed density of a-Cel-C12C8 as a function of simulation time at 390 K. E. Filename: a_cel_c14c10_390k.xvg Short description: This file contains the computed density of a-Cel-C14C10 as a function of simulation time at 390 K. F. Filename: Figure_s28a.png Short description: Figure S28a with high resolution. G. Filename: a_cel_c8c4_420k.xvg Short description: This file contains the computed density of a-Cel-C8C4 as a function of simulation time at 420 K. H. Filename: a_cel_c10c6_420k.xvg Short description: This file contains the computed density of a-Cel-C10C6 as a function of simulation time at 420 K. I. Filename: a_cel_c12c8_420k.xvg Short description: This file contains the computed density of a-Cel-C12C8 as a function of simulation time at 420 K. J. Filename: a_cel_c14c10_420k.xvg Short description: This file contains the computed density of a-Cel-C14C10 as a function of simulation time at 420 K. K. Filename: Figure_s28b.png Short description: Figure S28b with high resolution. L. Filename: a_cel_c8c4_450k.xvg Short description: This file contains the computed density of a-Cel-C8C4 as a function of simulation time at 450 K. M. Filename: a_cel_c10c6_450k.xvg Short description: This file contains the computed density of a-Cel-C10C6 as a function of simulation time at 450 K. N. Filename: a_cel_c12c8_450k.xvg Short description: This file contains the computed density of a-Cel-C12C8 as a function of simulation time at 450 K. O. Filename: a_cel_c14c10_450k.xvg Short description: This file contains the computed density of a-Cel-C14C10 as a function of simulation time at 450 K. P. Filename: Figure_s28c.png Short description: Figure S28c with high resolution. Figure S29: A. Filename: density_data.xlsx Short description: This file contains the summary of density for alpha- and beta-anomers at different temperatures. B. Filename: b_cel_c8c4_390k.xvg Short description: This file contains the computed density of b-Cel-C8C4 as a function of simulation time at 390 K. C. Filename: b_cel_c10c6_390k.xvg Short description: This file contains the computed density of b-Cel-C10C6 as a function of simulation time at 390 K. D. Filename: b_cel_c12c8_390k.xvg Short description: This file contains the computed density of b-Cel-C12C8 as a function of simulation time at 390 K. E. Filename: b_cel_c14c10_390k.xvg Short description: This file contains the computed density of b-Cel-C14C10 as a function of simulation time at 390 K. F. Filename: Figure_s29a.png Short description: Figure S29a with high resolution. G. Filename: b_cel_c8c4_420k.xvg Short description: This file contains the computed density of b-Cel-C8C4 as a function of simulation time at 420 K. H. Filename: b_cel_c10c6_420k.xvg Short description: This file contains the computed density of b-Cel-C10C6 as a function of simulation time at 420 K. I. Filename: b_cel_c12c8_420k.xvg Short description: This file contains the computed density of b-Cel-C12C8 as a function of simulation time at 420 K. J. Filename: b_cel_c14c10_420k.xvg Short description: This file contains the computed density of b-Cel-C14C10 as a function of simulation time at 420 K. K. Filename: Figure_s29b.png Short description: Figure S29b with high resolution. L. Filename: b_cel_c8c4_450k.xvg Short description: This file contains the computed density of b-Cel-C8C4 as a function of simulation time at 450 K. M. Filename: b_cel_c10c6_450k.xvg Short description: This file contains the computed density of b-Cel-C10C6 as a function of simulation time at 450 K. N. Filename: b_cel_c12c8_450k.xvg Short description: This file contains the computed density of b-Cel-C12C8 as a function of simulation time at 450 K. O. Filename: b_cel_c14c10_450k.xvg Short description: This file contains the computed density of b-Cel-C14C10 as a function of simulation time at 450 K. P. Filename: Figure_s29c.png Short description: Figure S29c with high resolution. ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Table S1 ----------------------------------------- Filename: table S1 III. Tg and TODT Values for Anomeric Cellobiosides Short description: This file contains X-ray scattering, Polarizing optical microscopy and DSC data of a-cellobiosides and b-cellobiosides with Guerbet chain length of -C6C2, -C8C4, -C10C6, -C12C8, -C14C10 within temperature range of 25-235˚C. ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Table S2 ----------------------------------------- Filename: table S2 Temperature-dependent Lattice Parameters of LC Phases Short description: This file contains SAXS data of a-cellobiosides and b-cellobiosides with Guerbet chain length of -C6C2, -C8C4, -C10C6, -C12C8, -C14C10 within temperature range of 25-235˚C and Lattice parameter of all compounds in their LC phase obtained from the SAXS data. ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Table S3 ----------------------------------------- Filename: table S3 Comparison of the observed and calculated value of d, the distance between adjacent planes in the set (hkl) Short description: This file contains SAXS data of b-Cel-C10C6 at 85˚C and comparison of the observed and calculated value of d for Double gyroid and Hexagonally perfortaed phases of b-Cel-C10C6 at 85C ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Table S4 ---------------------------------------- A. Filename: a_cel_c8c4_390k.xvg Short description: This file contains the computed density of a-Cel-C8C4 as a function of simulation time at 390 K. B. Filename: a_cel_c10c6_390k.xvg Short description: This file contains the computed density of a-Cel-C10C6 as a function of simulation time at 390 K. C. Filename: a_cel_c12c8_390k.xvg Short description: This file contains the computed density of a-Cel-C12C8 as a function of simulation time at 390 K. D. Filename: a_cel_c14c10_390k.xvg Short description: This file contains the computed density of a-Cel-C14C10 as a function of simulation time at 390 K. E. Filename: a_cel_c8c4_420k.xvg Short description: This file contains the computed density of a-Cel-C8C4 as a function of simulation time at 420 K. F. Filename: a_cel_c10c6_420k.xvg Short description: This file contains the computed density of a-Cel-C10C6 as a function of simulation time at 420 K. G. Filename: a_cel_c12c8_420k.xvg Short description: This file contains the computed density of a-Cel-C12C8 as a function of simulation time at 420 K. H. Filename: a_cel_c14c10_420k.xvg Short description: This file contains the computed density of a-Cel-C14C10 as a function of simulation time at 420 K. I. Filename: a_cel_c8c4_450k.xvg Short description: This file contains the computed density of a-Cel-C8C4 as a function of simulation time at 450 K. J. Filename: a_cel_c10c6_450k.xvg Short description: This file contains the computed density of a-Cel-C10C6 as a function of simulation time at 450 K. K. Filename: a_cel_c12c8_450k.xvg Short description: This file contains the computed density of a-Cel-C12C8 as a function of simulation time at 450 K. L. Filename: a_cel_c14c10_450k.xvg Short description: This file contains the computed density of a-Cel-C14C10 as a function of simulation time at 450 K. M. Filename: b_cel_c8c4_390k.xvg Short description: This file contains the computed density of b-Cel-C8C4 as a function of simulation time at 390 K. N. Filename: b_cel_c10c6_390k.xvg Short description: This file contains the computed density of b-Cel-C10C6 as a function of simulation time at 390 K. O. Filename: b_cel_c12c8_390k.xvg Short description: This file contains the computed density of b-Cel-C12C8 as a function of simulation time at 390 K. P. Filename: b_cel_c14c10_390k.xvg Short description: This file contains the computed density of b-Cel-C14C10 as a function of simulation time at 390 K. Q. Filename: b_cel_c8c4_420k.xvg Short description: This file contains the computed density of b-Cel-C8C4 as a function of simulation time at 420 K. R. Filename: b_cel_c10c6_420k.xvg Short description: This file contains the computed density of b-Cel-C10C6 as a function of simulation time at 420 K. S. Filename: b_cel_c12c8_420k.xvg Short description: This file contains the computed density of b-Cel-C12C8 as a function of simulation time at 420 K. T. Filename: b_cel_c14c10_420k.xvg Short description: This file contains the computed density of b-Cel-C14C10 as a function of simulation time at 420 K. U. Filename: b_cel_c8c4_450k.xvg Short description: This file contains the computed density of b-Cel-C8C4 as a function of simulation time at 450 K. V. Filename: b_cel_c10c6_450k.xvg Short description: This file contains the computed density of b-Cel-C10C6 as a function of simulation time at 450 K. W. Filename: b_cel_c12c8_450k.xvg Short description: This file contains the computed density of b-Cel-C12C8 as a function of simulation time at 450 K. X. Filename: b_cel_c14c10_450k.xvg Short description: This file contains the computed density of b-Cel-C14C10 as a function of simulation time at 450 K. ----------------------------------------- DATA-SPECIFIC INFORMATION FOR: Simulation details ----------------------------------------- a_cel_c8c4: A. Filename: a-cel-c8c4_lam_4.pdb Short description: Input lamellar structure for a-Cel-c8c4 in the format of pdb file. B. Filename: a-cel-c8c4.itp Short description: Force field details used in MD simulation. C. Filename: charmm-trappe_bb.itp Short description: Force field details used in MD simulation. D. Filename: eql.mdp Short description: Input .mdp file used for the MD simulation. D. Filename: ener-final.edr Short description: Output energy file from the MD simulation. E. Filename: traj-final.trr Short description: Output trajectory file from the MD simulation. b_cel_c8c4: A. Filename: b-cel-c8c4_lam_4.pdb Short description: Input lamellar structure for b-Cel-c8c4 in the format of pdb file. B. Filename: b-cel-c8c4.itp Short description: Force field details used in MD simulation. C. Filename: charmm-trappe_bb.itp Short description: Force field details used in MD simulation. D. Filename: eql.mdp Short description: Input .mdp file used for the MD simulation. D. Filename: ener-final.edr Short description: Output energy file from the MD simulation. E. Filename: traj-final.trr Short description: Output trajectory file from the MD simulation. ----------------------------------- Directory Structure ----------------------------------- ├── Figure 1 │   ├── SAXS data of a-Cel-C8C4 at 115 C │   │   ├── SAXS data of a-Cel-C8C4 at 115 C.dat │   │   └── SAXS plot of a-Cel-C8C4 at 115 C.pxp │   ├── SAXS data of a-Cel-C10C6 at 115 C │   │   ├── MAXS of a-Cel-C10C6 at 115 C.txt │   │   ├── SAXS of a-Cel-C10C6 at 115 C.txt │   │   └── SAXS plot-a-Cel-C10C6 at 115C.pxp │   ├── SAXS data of a-Cel-C12C8 at 115 C │   │   ├── SAXS data-a-Cel-C12C8-at 115 C.dat │   │   └── SAXS plot-a-Cel-C12C8-at 115 C plot.pxp │   ├── SAXS data of a-Cel-C14C10 at 115 C │   │   ├── MAXS data of a-Cel-C14C10 at 115 C.txt │   │   ├── SAXS data of a-Cel-C14C10 at 115 C.txt │   │   └── SAXS plot of a-Cel-C14C10 at 115 C.pxp │   └── SAXS data of b-Cel-C8C4 at 115 C │   ├── SAXS data-b-Cel-C8C4 at 115 C.dat │   └── SAXS plot-b-Cel-C8C4 at 115 C-plot.pxp │   ├── SAXS data of b-Cel-C10C6 at 115 C │   │   ├── MAXS data of b-Cel-C10C6 at 115 C.dat │   │   └── SAXS plot of b-Cel-C10C6 at 115 C.pxp │   ├── SAXS data of b-Cel-C12C8 at 115 C │   │   ├── MAXS data of b-Cel-C12C8 at 115 C.dat │   │   └── MAXS plot-b-Cel-C12C8 at 115 C.pxp │   ├── SAXS data of b-Cel-C14C10 at 115 C │   │   ├── Full q range_C14C10-b-115C.pxp │   │   ├── MAXS data of b-Cel-C14C10 at 115 C.txt │   │   ├── SAXS data of b-Cel-C14C10 at 115 C.txt │   │   └── SAXS plot of b-Cel-C14C10 at 115 C.pxp ├── Figure 2 │   ├── SAXS data of a-Cel-C14C10 at all temperatures │   │   ├── MAXS-a-Cel-C14C10 at 115 C.txt │   │   ├── MAXS-a-Cel-C14C10 at 145 C.txt │   │   ├── MAXS-a-Cel-C14C10 at 185 C.txt │   │   ├── MAXS-a-Cel-C14C10 at 25 C.txt │   │   ├── MAXS-a-Cel-C14C10 at 55 C.txt │   │   ├── MAXS-a-Cel-C14C10 at 85 C.txt │   │   ├── SAXS-a-Cel-C14C10 at 115 C.txt │   │   ├── SAXS-a-Cel-C14C10 at 145 C.txt │   │   ├── SAXS-a-Cel-C14C10 at 185 C.txt │   │   ├── SAXS-a-Cel-C14C10 at 25 C.txt │   │   ├── SAXS-a-Cel-C14C10 at 55 C.txt │   │   ├── SAXS-a-Cel-C14C10 at 85 C.txt │   │   └── SAXS plot-a-Cel-C14C10-all temp.pxp │   └── SAXS data of b-Cel-C10C6 at all temperatures │   ├── SAXS data-b-Cel-C10C6 at 115 C.dat │   ├── SAXS data-b-Cel-C10C6 at 145 C.dat │   ├── SAXS data-b-Cel-C10C6 at 175 C.dat │   ├── SAXS data-b-Cel-C10C6 at 25 C.dat │   ├── SAXS data-b-Cel-C10C6 at 55 C.dat │   ├── SAXS data-b-Cel-C10C6 at 85 C.dat │   └── SAXS plot-b-Cel-C10C6 at all temp.pxp ├── Figure 3 │   ├── Figure 3-DSC data of all compounds │   │   ├── a-Cel-C10C6.txt │   │   ├── a-Cel-C12C8.txt │   │   ├── a-Cel-C14C10.txt │   │   ├── a-Cel-C6C2.txt │   │   ├── a-Cel-C8C4.txt │   │   ├── b-Cel-C10C6.txt │   │   ├── b-Cel-C12C8.txt │   │   ├── b-Cel-C14C10.txt │   │   ├── b-Cel-C6C2.txt │   │   └── b-Cel-C8C4.txt │   ├── Figure 3-POM data of all compounds │   │   ├── a-Cel-C10C6 │   │   │   ├── a-Cel-C10C6-142C.tif │   │   │   ├── a-Cel-C10C6-175C.tif │   │   │   ├── a-Cel-C10C6-49C.tif │   │   │   └── a-Cel-C10C6-85C.tif │   │   ├── a-Cel-C12C8 │   │   │   ├── a-Cel-C12C8-135C.tif │   │   │   ├── a-Cel-C12C8-163C.tif │   │   │   ├── a-Cel-C12C8-45C.tif │   │   │   └── a-Cel-C12C8-85C.tif │   │   ├── a-Cel-C14C10 │   │   │   ├── a-Cel-C14C10-189C.tif │   │   │   ├── a-Cel-C14C10-25C.tif │   │   │   ├── a-Cel-C14C10-85C.tif │   │   │   └── a-Cel-C14C10.tif │   │   ├── a-Cel-C6C2 │   │   │   ├── a-Cel-C6C2-110C-1.tif │   │   │   ├── a-Cel-C6C2-110C-2 .tif │   │   │   ├── a-Cel-C6C2-35C.tif │   │   │   ├── a-Cel-C6C2-85C .tif │   │   │   └── a-Cel-C6C2-95C .tif │   │   ├── a-Cel-C8C4 │   │   │   ├── a-Cel-C8C4-140C-3.tif │   │   │   ├── a-Cel-C8C4-170C.tif │   │   │   ├── a-Cel-C8C4-35C.tif │   │   │   ├── a-Cel-C8C4-85C-1.tif │   │   │   ├── a-Cel-C8C4-85C-2.tif │   │   │   └── a-Cel-C8C4-85C-3.tif │   │   ├── b-Cel-C10C6 │   │   │   ├── CB-C10C6-B-OH-6.tif │   │   │   ├── b-Cel-C10C6-38C.tif │   │   │   ├── b-Cel-C10C6-85C-1.tif │   │   │   └── b-Cel-C10C6-85C-2.tif │   │   ├── b-Cel-C12C8 │   │   │   ├── b-Cel-C12C8-193C.tif │   │   │   ├── b-Cel-C12C8-210C.tif │   │   │   ├── b-Cel-C12C8-26C.tif │   │   │   └── b-Cel-C12C8-85C.tif │   │   ├── b-Cel-C14C10 │   │   │   ├── b-Cel-C14C10-217C.tif │   │   │   ├── b-Cel-C14C10-50C.tif │   │   │   └── b-Cel-C14C10-85C.tif │   │   ├── b-Cel-C6C2 │   │   │   ├── b-Cel-C6C2-145C.tif │   │   │   └── b-Cel-C6C2-47C.tif │   │   └── b-Cel-C8C4 │   │   ├── b-Cel-C8C4-145C.tif │   │   ├── b-Cel-C8C4-187C.tif │   │   ├── b-Cel-C8C4-45C.tif │   │   └── b-Cel-C8C4-90C.tif │   ├── Figure 3-SAXS data of all compounds │   │   ├── SAXS Data-a-Cel-C10C6-all temperature │   │   │   ├── SAXS data-a-Cel-C10C6-115C.txt │   │   │   ├── SAXS data-a-Cel-C10C6-175C.txt │   │   │   ├── SAXS data-a-Cel-C10C6-205C.txt │   │   │   ├── SAXS data-a-Cel-C10C6-25C.txt │   │   │   ├── SAXS data-a-Cel-C10C6-55C.txt │   │   │   ├── SAXS data-a-Cel-C10C6-85C.txt │   │   │   └── SAXS plot-a-Cel-C10C6.pxp │   │   ├── SAXS Data-b-Cel-C10C6-all temperature │   │   │   ├── SAXS data-b-Cel-C10C6-115C.dat │   │   │   ├── SAXS data-b-Cel-C10C6-145C.dat │   │   │   ├── SAXS data-b-Cel-C10C6-175C.dat │   │   │   ├── SAXS data-b-Cel-C10C6-25C.dat │   │   │   ├── SAXS data-b-Cel-C10C6-55C.dat │   │   │   ├── SAXS data-b-Cel-C10C6-85C.dat │   │   │   └── SAXS plot-b-Cel-C10C6.pxp │   │   ├── SAXS data-a-Cel-C12C8-all temperatures │   │   │   ├── SAXS data-a-Cel-C12C8-115C.dat │   │   │   ├── SAXS data-a-Cel-C12C8-145C.dat │   │   │   ├── SAXS data-a-Cel-C12C8-175C.dat │   │   │   ├── SAXS data-a-Cel-C12C8-25C.dat │   │   │   ├── SAXS data-a-Cel-C12C8-55C.dat │   │   │   ├── SAXS data-a-Cel-C12C8-85C.dat │   │   │   └── SAXS plot-a-Cel-C12C8.pxp │   │   ├── SAXS data-a-Cel-C14C10-all temperatures │   │   │   ├── MAXS-a-Cel-C14C10 at 115 C.txt │   │   │   ├── MAXS-a-Cel-C14C10 at 145 C.txt │   │   │   ├── MAXS-a-Cel-C14C10 at 185 C.txt │   │   │   ├── MAXS-a-Cel-C14C10 at 25 C.txt │   │   │   ├── MAXS-a-Cel-C14C10 at 55 C.txt │   │   │   ├── MAXS-a-Cel-C14C10 at 85 C.txt │   │   │   ├── SAXS-a-Cel-C14C10 at 115 C.txt │   │   │   ├── SAXS-a-Cel-C14C10 at 145 C.txt │   │   │   ├── SAXS-a-Cel-C14C10 at 185 C.txt │   │   │   ├── SAXS-a-Cel-C14C10 at 25 C.txt │   │   │   ├── SAXS-a-Cel-C14C10 at 55 C.txt │   │   │   ├── SAXS-a-Cel-C14C10 at 85 C.txt │   │   │   └── SAXS plot-a-Cel-C14C10-all temp.pxp │   │   ├── SAXS data-a-Cel-C6C2-all temperature │   │   │   ├── SAXS data-a-Cel-C6C2-115C.dat │   │   │   ├── SAXS data-a-Cel-C6C2-145C.dat │   │   │   ├── SAXS data-a-Cel-C6C2-175C.dat │   │   │   ├── SAXS data-a-Cel-C6C2-25C.dat │   │   │   ├── SAXS data-a-Cel-C6C2-55C.dat │   │   │   ├── SAXS data-a-Cel-C6C2-85C.dat │   │   │   └── SAXS plot-a-Cel-C6C2.pxp │   │   ├── SAXS data-a-Cel-C8C4-all temperatures │   │   │   ├── SAXS data-a-Cel-C8C4-115C.dat │   │   │   ├── SAXS data-a-Cel-C8C4-145C.dat │   │   │   ├── SAXS data-a-Cel-C8C4-185C.dat │   │   │   ├── SAXS data-a-Cel-C8C4-205C.dat │   │   │   ├── SAXS data-a-Cel-C8C4-25C.dat │   │   │   ├── SAXS data-a-Cel-C8C4-55C.dat │   │   │   ├── SAXS data-a-Cel-C8C4-85C.dat │   │   │   └── SAXS plot-a-Cel-C8C4.pxp │   │   ├── SAXS data-b-Cel-C12C8-all temperatures │   │   │   ├── SAXS data-b-Cel-C12C8-115C.dat │   │   │   ├── SAXS data-b-Cel-C12C8-145C.dat │   │   │   ├── SAXS data-b-Cel-C12C8-205C.dat │   │   │   ├── SAXS data-b-Cel-C12C8-25C.dat │   │   │   ├── SAXS data-b-Cel-C12C8-55C.dat │   │   │   ├── SAXS data-b-Cel-C12C8-85C.dat │   │   │   └── SAXS plot-b-Cel-C12C8.pxp │   │   ├── SAXS data-b-Cel-C14C10-all temperatures │   │   │   ├── MAXS data-b-Cel-C14C10-115C.txt │   │   │   ├── MAXS data-b-Cel-C14C10-145C.txt │   │   │   ├── MAXS data-b-Cel-C14C10-185C.txt │   │   │   ├── MAXS data-b-Cel-C14C10-205C.txt │   │   │   ├── MAXS data-b-Cel-C14C10-25C.txt │   │   │   ├── MAXS data-b-Cel-C14C10-55C.txt │   │   │   ├── MAXS data-b-Cel-C14C10-85C.txt │   │   │   ├── SAXS data-b-Cel-C14C10-115C.txt │   │   │   ├── SAXS data-b-Cel-C14C10-145C.txt │   │   │   ├── SAXS data-b-Cel-C14C10-185C.txt │   │   │   ├── SAXS data-b-Cel-C14C10-205C.txt │   │   │   ├── SAXS data-b-Cel-C14C10-25C.txt │   │   │   ├── SAXS data-b-Cel-C14C10-55C.txt │   │   │   ├── SAXS data-b-Cel-C14C10-85C.txt │   │   │   └── SAXS plot-b-Cel-C14C10.pxp │   │   ├── SAXS data-b-Cel-C6C2-all temperature │   │   │   ├── SAXS data-b-Cel-C6C2-115C.dat │   │   │   ├── SAXS data-b-Cel-C6C2-145C.dat │   │   │   ├── SAXS data-b-Cel-C6C2-175C.dat │   │   │   ├── SAXS data-b-Cel-C6C2-25C.dat │   │   │   ├── SAXS data-b-Cel-C6C2-55C.dat │   │   │   ├── SAXS data-b-Cel-C6C2-85C.dat │   │   │   └── SAXS plot-b-Cel-C6C2.pxp │   │   └── SAXS data-b-Cel-C8C4-all temperatures │   │   ├── SAXS data-b-Cel-C8C4-115C.dat │   │   ├── SAXS data-b-Cel-C8C4-145C.dat │   │   ├── SAXS data-b-Cel-C8C4-185C.dat │   │   ├── SAXS data-b-Cel-C8C4-205C.dat │   │   ├── SAXS data-b-Cel-C8C4-25C.dat │   │   ├── SAXS data-b-Cel-C8C4-55C.dat │   │   ├── SAXS data-b-Cel-C8C4-85C.dat │   │   └── SAXS plot-b-Cel-C8C4.pxp │   ├── Image of-a-cellobioside phase diagram.tif │   ├── Image of-b-cellobioside phase diagram.tif │   ├── Plot of-a-cellobioside phase diagram.opju │   └── Plot of-b-cellobioside phase diagram.opju ├── Figure 4 │   ├── Figure 4-Calculation of volume fractions of a- and b- cellobiosides.xlsx │   ├── Figure 4a-Plot of temperature vs. volume fraction morphology diagram-alpha-anomer .opju │   └── Figure 4b-Plot of temperature vs. volume fraction morphology diagram-beta-anomer .opju ├── Figure 5 │   ├── Figure_5b.png │   ├── Figure_5c.npy │   ├── Figure_5c.png │   ├── Figure_5d.npy │   ├── Figure_5d.png │   ├── figure5b_a_cel_c8c4.npy │   └── figure_5b_b_cel_c8c4.npy ├── Figure 6 │   ├── Figure 6a inset-POM image of a-Cel-C8C4-cooling.jpg │   ├── Figure 6a-POM image of a-Cel-C8C4-cooling.jpg │   ├── Figure 6b inset-POM image of b-Cel-C8C4-heating.jpg │   └── Figure 6b-POM image of b-Cel-C8C4-heating.jpg ├── Figure S1-S10- 1H and 13C of all compounds │   ├── Figure S1-13C-NMR of a-Cel-C6C2 │   │   └── 10 │   │   ├── acqu │   │   ├── acqus │   │   ├── audita.txt │   │   ├── cpdprg2 │   │   ├── fid │   │   ├── format.temp │   │   ├── fq1list │   │   ├── pdata │   │   │   └── 1 │   │   │   ├── outd │   │   │   ├── proc │   │   │   ├── procs │   │   │   └── title │   │   ├── precom.output │   │   ├── prosol_History │   │   ├── pulseprogram │   │   ├── scon2 │   │   ├── shimvalues │   │   ├── specpar │   │   ├── stanprogram635 │   │   ├── uxnmr.info │   │   ├── uxnmr.par │   │   └── vtc_pid_settings │   ├── Figure S1-1H-NMR of a-Cel-C6C2 │   │   └── 10 │   │   ├── acqu │   │   ├── acqus │   │   ├── audita.txt │   │   ├── fid │   │   ├── format.temp │   │   ├── fq1list │   │   ├── pdata │   │   │   └── 1 │   │   │   ├── outd │   │   │   ├── proc │   │   │   ├── procs │   │   │   └── title │   │   ├── precom.output │   │   ├── prosol_History │   │   ├── pulseprogram │   │   ├── scon2 │   │   ├── shimvalues │   │   ├── specpar │   │   ├── stanprogram635 │   │   ├── uxnmr.info │   │   ├── uxnmr.par │   │   └── vtc_pid_settings │   ├── Figure S1-S10- 1H and 13C of all compounds.pptx │   ├── Figure S10-1H and 13C-NMR of b-Cel-C14C10 │   │   ├── 10 │   │   │   ├── acqu │   │   │   ├── acqus │   │   │   ├── audita.txt │   │   │   ├── fid │   │   │   ├── format.temp │   │   │   ├── fq1list │   │   │   ├── pdata │   │   │   │   └── 1 │   │   │   │   ├── outd │   │   │   │   ├── proc │   │   │   │   ├── procs │   │   │   │   └── title │   │   │   ├── precom.output │   │   │   ├── prosol_History │   │   │   ├── pulseprogram │   │   │   ├── scon2 │   │   │   ├── shimvalues │   │   │   ├── specpar │   │   │   ├── stanprogram26648 │   │   │   ├── uxnmr.info │   │   │   ├── uxnmr.par │   │   │   └── vtc_pid_settings │   │   └── 11 │   │   ├── acqu │   │   ├── acqus │   │   ├── audita.txt │   │   ├── cpdprg2 │   │   ├── fid │   │   ├── format.temp │   │   ├── fq1list │   │   ├── pdata │   │   │   └── 1 │   │   │   ├── outd │   │   │   ├── proc │   │   │   ├── procs │   │   │   └── title │   │   ├── precom.output │   │   ├── prosol_History │   │   ├── pulseprogram │   │   ├── scon2 │   │   ├── shimvalues │   │   ├── specpar │   │   ├── stanprogram26648 │   │   ├── uxnmr.info │   │   ├── uxnmr.par │   │   └── vtc_pid_settings │   ├── Figure S2-13C-NMR of b-Cel-C6C2 │   │   └── 10 │   │   ├── acqu │   │   ├── acqus │   │   ├── audita.txt │   │   ├── cpdprg2 │   │   ├── fid │   │   ├── format.temp │   │   ├── fq1list │   │   ├── pdata │   │   │   └── 1 │   │   │   ├── outd │   │   │   ├── proc │   │   │   ├── procs │   │   │   └── title │   │   ├── precom.output │   │   ├── prosol_History │   │   ├── pulseprogram │   │   ├── scon2 │   │   ├── shimvalues │   │   ├── specpar │   │   ├── stanprogram635 │   │   ├── uxnmr.info │   │   ├── uxnmr.par │   │   └── vtc_pid_settings │   ├── Figure S2-1H-NMR of b-Cel-C6C2 │   │   └── 10 │   │   ├── acqu │   │   ├── acqus │   │   ├── audita.txt │   │   ├── fid │   │   ├── format.temp │   │   ├── pdata │   │   │   └── 1 │   │   │   ├── outd │   │   │   ├── proc │   │   │   ├── procs │   │   │   └── title │   │   ├── prosol_History │   │   ├── pulseprogram │   │   ├── scon2 │   │   ├── shimvalues │   │   ├── specpar │   │   ├── uxnmr.info │   │   ├── uxnmr.par │   │   └── vtc_pid_settings │   ├── Figure S3-1H and 13C-NMR of a-Cel-C8C4 │   │   ├── 10 │   │   │   ├── acqu │   │   │   ├── acqus │   │   │   ├── audita.txt │   │   │   ├── fid │   │   │   ├── format.temp │   │   │   ├── fq1list │   │   │   ├── pdata │   │   │   │   └── 1 │   │   │   │   ├── outd │   │   │   │   ├── proc │   │   │   │   ├── procs │   │   │   │   └── title │   │   │   ├── precom.output │   │   │   ├── prosol_History │   │   │   ├── pulseprogram │   │   │   ├── scon2 │   │   │   ├── shimvalues │   │   │   ├── specpar │   │   │   ├── stanprogram15926 │   │   │   ├── uxnmr.info │   │   │   ├── uxnmr.par │   │   │   └── vtc_pid_settings │   │   └── 11 │   │   ├── acqu │   │   ├── acqus │   │   ├── audita.txt │   │   ├── cpdprg2 │   │   ├── fid │   │   ├── format.temp │   │   ├── fq1list │   │   ├── pdata │   │   │   └── 1 │   │   │   ├── outd │   │   │   ├── proc │   │   │   ├── procs │   │   │   └── title │   │   ├── precom.output │   │   ├── prosol_History │   │   ├── pulseprogram │   │   ├── scon2 │   │   ├── shimvalues │   │   ├── specpar │   │   ├── stanprogram15926 │   │   ├── uxnmr.info │   │   ├── uxnmr.par │   │   └── vtc_pid_settings │   ├── Figure S4-13C-NMR of b-Cel-C8C4 │   │   └── 10 │   │   ├── acqu │   │   ├── acqus │   │   ├── audita.txt │   │   ├── cpdprg2 │   │   ├── fid │   │   ├── format.temp │   │   ├── fq1list │   │   ├── pdata │   │   │   └── 1 │   │   │   ├── outd │   │   │   ├── proc │   │   │   ├── procs │   │   │   └── title │   │   ├── precom.output │   │   ├── prosol_History │   │   ├── pulseprogram │   │   ├── scon2 │   │   ├── shimvalues │   │   ├── specpar │   │   ├── stanprogram15926 │   │   ├── uxnmr.info │   │   ├── uxnmr.par │   │   └── vtc_pid_settings │   ├── Figure S4-1H-NMR of b-Cel-C8C4 │   │   └── 10 │   │   ├── acqu │   │   ├── acqus │   │   ├── audita.txt │   │   ├── fid │   │   ├── format.temp │   │   ├── fq1list │   │   ├── pdata │   │   │   └── 1 │   │   │   ├── outd │   │   │   ├── proc │   │   │   ├── procs │   │   │   └── title │   │   ├── precom.output │   │   ├── prosol_History │   │   ├── pulseprogram │   │   ├── scon2 │   │   ├── shimvalues │   │   ├── specpar │   │   ├── stanprogram15926 │   │   ├── uxnmr.info │   │   ├── uxnmr.par │   │   └── vtc_pid_settings │   ├── Figure S5-13C-NMR of a-Cel-C10C6 │   │   └── 10 │   │   ├── acqu │   │   ├── acqus │   │   ├── audita.txt │   │   ├── cpdprg2 │   │   ├── fid │   │   ├── format.temp │   │   ├── fq1list │   │   ├── pdata │   │   │   └── 1 │   │   │   ├── outd │   │   │   ├── proc │   │   │   ├── procs │   │   │   └── title │   │   ├── precom.output │   │   ├── prosol_History │   │   ├── pulseprogram │   │   ├── scon2 │   │   ├── shimvalues │   │   ├── specpar │   │   ├── stanprogram635 │   │   ├── uxnmr.info │   │   ├── uxnmr.par │   │   └── vtc_pid_settings │   ├── Figure S5-1H-NMR of a-Cel-C10C6 │   │   └── 10 │   │   ├── acqu │   │   ├── acqus │   │   ├── audita.txt │   │   ├── fid │   │   ├── format.temp │   │   ├── pdata │   │   │   └── 1 │   │   │   ├── outd │   │   │   ├── proc │   │   │   ├── procs │   │   │   └── title │   │   ├── prosol_History │   │   ├── pulseprogram │   │   ├── scon2 │   │   ├── shimvalues │   │   ├── specpar │   │   ├── uxnmr.info │   │   ├── uxnmr.par │   │   └── vtc_pid_settings │   ├── Figure S6-13C-NMR of b-Cel-C10C6 │   │   └── 10 │   │   ├── acqu │   │   ├── acqus │   │   ├── audita.txt │   │   ├── cpdprg2 │   │   ├── fid │   │   ├── format.temp │   │   ├── fq1list │   │   ├── pdata │   │   │   └── 1 │   │   │   ├── outd │   │   │   ├── proc │   │   │   ├── procs │   │   │   └── title │   │   ├── precom.output │   │   ├── prosol_History │   │   ├── pulseprogram │   │   ├── scon2 │   │   ├── shimvalues │   │   ├── specpar │   │   ├── stanprogram635 │   │   ├── uxnmr.info │   │   ├── uxnmr.par │   │   └── vtc_pid_settings │   ├── Figure S6-1H-NMR of b-Cel-C10C6 │   │   └── 10 │   │   ├── acqu │   │   ├── acqus │   │   ├── audita.txt │   │   ├── fid │   │   ├── format.temp │   │   ├── pdata │   │   │   └── 1 │   │   │   ├── outd │   │   │   ├── proc │   │   │   ├── procs │   │   │   └── title │   │   ├── prosol_History │   │   ├── pulseprogram │   │   ├── scon2 │   │   ├── shimvalues │   │   ├── specpar │   │   ├── uxnmr.info │   │   ├── uxnmr.par │   │   └── vtc_pid_settings │   ├── Figure S7-13C-NMR of a-Cel-C12C8 │   │   └── 10 │   │   ├── acqu │   │   ├── acqus │   │   ├── audita.txt │   │   ├── cpdprg2 │   │   ├── fid │   │   ├── format.temp │   │   ├── fq1list │   │   ├── pdata │   │   │   └── 1 │   │   │   ├── outd │   │   │   ├── proc │   │   │   ├── procs │   │   │   └── title │   │   ├── precom.output │   │   ├── prosol_History │   │   ├── pulseprogram │   │   ├── scon2 │   │   ├── shimvalues │   │   ├── specpar │   │   ├── stanprogram15926 │   │   ├── uxnmr.info │   │   ├── uxnmr.par │   │   └── vtc_pid_settings │   ├── Figure S7-1H-NMR of a-Cel-C12C8 │   │   └── 10 │   │   ├── acqu │   │   ├── acqus │   │   ├── audita.txt │   │   ├── fid │   │   ├── format.temp │   │   ├── fq1list │   │   ├── pdata │   │   │   └── 1 │   │   │   ├── outd │   │   │   ├── proc │   │   │   ├── procs │   │   │   └── title │   │   ├── precom.output │   │   ├── prosol_History │   │   ├── pulseprogram │   │   ├── scon2 │   │   ├── shimvalues │   │   ├── specpar │   │   ├── stanprogram635 │   │   ├── uxnmr.info │   │   ├── uxnmr.par │   │   └── vtc_pid_settings │   ├── Figure S8-13C-NMR of b-Cel-C12C8 │   │   └── 10 │   │   ├── acqu │   │   ├── acqus │   │   ├── audita.txt │   │   ├── cpdprg2 │   │   ├── fid │   │   ├── format.temp │   │   ├── fq1list │   │   ├── pdata │   │   │   └── 1 │   │   │   ├── outd │   │   │   ├── proc │   │   │   ├── procs │   │   │   └── title │   │   ├── precom.output │   │   ├── prosol_History │   │   ├── pulseprogram │   │   ├── scon2 │   │   ├── shimvalues │   │   ├── specpar │   │   ├── stanprogram15926 │   │   ├── uxnmr.info │   │   ├── uxnmr.par │   │   └── vtc_pid_settings │   ├── Figure S8-1H-NMR of b-Cel-C12C8 │   │   └── 10 │   │   ├── acqu │   │   ├── acqus │   │   ├── audita.txt │   │   ├── fid │   │   ├── format.temp │   │   ├── pdata │   │   │   └── 1 │   │   │   ├── outd │   │   │   ├── proc │   │   │   ├── procs │   │   │   └── title │   │   ├── prosol_History │   │   ├── pulseprogram │   │   ├── scon2 │   │   ├── shimvalues │   │   ├── specpar │   │   ├── uxnmr.info │   │   ├── uxnmr.par │   │   └── vtc_pid_settings │   ├── Figure S9-13C-NMR of a-Cel-C14C10 │   │   └── 10 │   │   ├── acqu │   │   ├── acqus │   │   ├── audita.txt │   │   ├── cpdprg2 │   │   ├── fid │   │   ├── format.temp │   │   ├── fq1list │   │   ├── pdata │   │   │   └── 1 │   │   │   ├── outd │   │   │   ├── proc │   │   │   ├── procs │   │   │   └── title │   │   ├── precom.output │   │   ├── prosol_History │   │   ├── pulseprogram │   │   ├── scon2 │   │   ├── shimvalues │   │   ├── specpar │   │   ├── stanprogram15926 │   │   ├── uxnmr.info │   │   ├── uxnmr.par │   │   └── vtc_pid_settings │   └── Figure S9-1H-NMR of a-Cel-C14C10 │   └── 10 │   ├── acqu │   ├── acqus │   ├── audita.txt │   ├── fid │   ├── format.temp │   ├── pdata │   │   └── 1 │   │   ├── outd │   │   ├── proc │   │   ├── procs │   │   └── title │   ├── prosol_History │   ├── pulseprogram │   ├── scon2 │   ├── shimvalues │   ├── specpar │   ├── uxnmr.info │   ├── uxnmr.par │   └── vtc_pid_settings ├── Figure S11 │   ├── DSC-a-Cel-C10C6.txt │   ├── DSC-a-Cel-C12C8.txt │   ├── DSC-a-Cel-C14C10.txt │   ├── DSC-a-Cel-C6C2.txt │   ├── DSC-a-Cel-C8C4.txt │   ├── DSC-b-Cel-C10C6.txt │   ├── DSC-b-Cel-C12C8.txt │   ├── DSC-b-Cel-C14C10.txt │   ├── DSC-b-Cel-C6C2.txt │   └── DSC-b-Cel-C8C4.txt ├── Figure S12 │   ├── SAXS data-a-Cel-C6C2 at all temperature │   │   ├── SAXS data-a-Cel-C6C2-115C.dat │   │   ├── SAXS data-a-Cel-C6C2-145C.dat │   │   ├── SAXS data-a-Cel-C6C2-175C.dat │   │   ├── SAXS data-a-Cel-C6C2-25C.dat │   │   ├── SAXS data-a-Cel-C6C2-55C.dat │   │   ├── SAXS data-a-Cel-C6C2-85C.dat │   │   └── SAXS plot-a-Cel-C6C2.pxp │   └── SAXS data-b-Cel-C6C2 at all temperature │   ├── SAXS data-b-Cel-C6C2-115C.dat │   ├── SAXS data-b-Cel-C6C2-145C.dat │   ├── SAXS data-b-Cel-C6C2-175C.dat │   ├── SAXS data-b-Cel-C6C2-25C.dat │   ├── SAXS data-b-Cel-C6C2-55C.dat │   ├── SAXS data-b-Cel-C6C2-85C.dat │   └── SAXS plot-b-Cel-C6C2.pxp ├── Figure S13 │   ├── SAXS data-a-Cel-C8C4-all temperatures │   │   ├── SAXS data-a-Cel-C8C4-115C.dat │   │   ├── SAXS data-a-Cel-C8C4-145C.dat │   │   ├── SAXS data-a-Cel-C8C4-185C.dat │   │   ├── SAXS data-a-Cel-C8C4-205C.dat │   │   ├── SAXS data-a-Cel-C8C4-25C.dat │   │   ├── SAXS data-a-Cel-C8C4-55C.dat │   │   ├── SAXS data-a-Cel-C8C4-85C.dat │   │   └── SAXS plot-a-Cel-C8C4.pxp │   └── SAXS data-b-Cel-C8C4-all temperatures │   ├── SAXS data-b-Cel-C8C4-115C.dat │   ├── SAXS data-b-Cel-C8C4-145C.dat │   ├── SAXS data-b-Cel-C8C4-185C.dat │   ├── SAXS data-b-Cel-C8C4-205C.dat │   ├── SAXS data-b-Cel-C8C4-25C.dat │   ├── SAXS data-b-Cel-C8C4-55C.dat │   ├── SAXS data-b-Cel-C8C4-85C.dat │   └── SAXS plot-b-Cel-C8C4-all temperatures.pxp ├── Figure S14 │   ├── SAXS Data-a-Cel-C10C6-all temperatures │   │   ├── SAXS data-a-Cel-C10C6-115C.txt │   │   ├── SAXS data-a-Cel-C10C6-175C.txt │   │   ├── SAXS data-a-Cel-C10C6-205C.txt │   │   ├── SAXS data-a-Cel-C10C6-25C.txt │   │   ├── SAXS data-a-Cel-C10C6-55C.txt │   │   ├── SAXS data-a-Cel-C10C6-85C.txt │   │   └── SAXS plot-a-Cel-C10C6-all temperatures.pxp │   └── SAXS Data-b-Cel-C10C6-all temperatures │   ├── SAXS data-b-Cel-C10C6-115C.dat │   ├── SAXS data-b-Cel-C10C6-145C.dat │   ├── SAXS data-b-Cel-C10C6-175C.dat │   ├── SAXS data-b-Cel-C10C6-25C.dat │   ├── SAXS data-b-Cel-C10C6-55C.dat │   ├── SAXS data-b-Cel-C10C6-85C.dat │   └── SAXS plot-b-Cel-C10C6.pxp ├── Figure S15 │   ├── SAXS data-a-Cel-C12C8-all temperatures │   │   ├── SAXS data-a-Cel-C12C8-115C.dat │   │   ├── SAXS data-a-Cel-C12C8-145C.dat │   │   ├── SAXS data-a-Cel-C12C8-175C.dat │   │   ├── SAXS data-a-Cel-C12C8-25C.dat │   │   ├── SAXS data-a-Cel-C12C8-55C.dat │   │   ├── SAXS data-a-Cel-C12C8-85C.dat │   │   └── SAXS plot-a-Cel-C12C8.pxp │   └── SAXS data-b-Cel-C12C8-all temperatures │   ├── SAXS data-b-Cel-C12C8-115C.dat │   ├── SAXS data-b-Cel-C12C8-145C.dat │   ├── SAXS data-b-Cel-C12C8-205C.dat │   ├── SAXS data-b-Cel-C12C8-25C.dat │   ├── SAXS data-b-Cel-C12C8-55C.dat │   ├── SAXS data-b-Cel-C12C8-85C.dat │   └── SAXS plot-b-Cel-C12C8.pxp ├── Figure S16 │   ├── SAXS data of a-Cel-C14C10 at all temperatures │   │   ├── MAXS-a-Cel-C14C10 at 115 C.txt │   │   ├── MAXS-a-Cel-C14C10 at 145 C.txt │   │   ├── MAXS-a-Cel-C14C10 at 185 C.txt │   │   ├── MAXS-a-Cel-C14C10 at 25 C.txt │   │   ├── MAXS-a-Cel-C14C10 at 55 C.txt │   │   ├── MAXS-a-Cel-C14C10 at 85 C.txt │   │   ├── SAXS-a-Cel-C14C10 at 115 C.txt │   │   ├── SAXS-a-Cel-C14C10 at 145 C.txt │   │   ├── SAXS-a-Cel-C14C10 at 185 C.txt │   │   ├── SAXS-a-Cel-C14C10 at 25 C.txt │   │   ├── SAXS-a-Cel-C14C10 at 55 C.txt │   │   ├── SAXS-a-Cel-C14C10 at 85 C.txt │   │   └── SAXS-plot-a-Cel-C14C10-all temp.pxp │   └── SAXS data-b-Cel-C14C10-all temperatures │   ├── MAXS data-b-Cel-C14C10-115C.txt │   ├── MAXS data-b-Cel-C14C10-145C.txt │   ├── MAXS data-b-Cel-C14C10-185C.txt │   ├── MAXS data-b-Cel-C14C10-205C.txt │   ├── MAXS data-b-Cel-C14C10-25C.txt │   ├── MAXS data-b-Cel-C14C10-55C.txt │   ├── MAXS data-b-Cel-C14C10-85C.txt │   ├── SAXS data-b-Cel-C14C10-115C.txt │   ├── SAXS data-b-Cel-C14C10-145C.txt │   ├── SAXS data-b-Cel-C14C10-185C.txt │   ├── SAXS data-b-Cel-C14C10-205C.txt │   ├── SAXS data-b-Cel-C14C10-25C.txt │   ├── SAXS data-b-Cel-C14C10-55C.txt │   ├── SAXS data-b-Cel-C14C10-85C.txt │   └── SAXS plot-b-Cel-C14C10.pxp ├── Figure S17 │   ├── Figure S17a-a-Cel-C6C2.jpg │   ├── Figure S17b-b-Cel-C6C2.jpg │   ├── Figure S17c-a-Cel-C8C4.jpg │   ├── Figure S17d-b-Cel-C8C4.jpg │   ├── Figure S17e-a-Cel-C10C6.jpg │   ├── Figure S17f-b-Cel-C10C6.jpg │   ├── Figure S17g-a-Cel-C12C8.jpg │   ├── Figure S17h-b-Cel-C12C8.jpg │   ├── Figure S17i-a-Cel-C14C10.jpg │   └── Figure S17j-b-Cel-C14C10.jpg ├── Figure S18 │   ├── WAXS data-b-Cel-C8C4-115C.dat │   ├── WAXS data-b-Cel-C8C4-145C.dat │   ├── WAXS data-b-Cel-C8C4-185C.dat │   ├── WAXS data-b-Cel-C8C4-205C.dat │   ├── WAXS data-b-Cel-C8C4-25C.dat │   ├── WAXS data-b-Cel-C8C4-55C.dat │   ├── WAXS data-b-Cel-C8C4-85C.dat │   └── WAXS plot-b-Cel-C8C4.pxp ├── Figure S19 │   ├── Figure S19a-a-Cel-C6C2.jpg │   ├── Figure S19b-b-Cel-C6C2.jpg │   ├── Figure S19c-a-Cel-C10C6.jpg │   ├── Figure S19d-b-Cel-C10C6.jpg │   ├── Figure S19e-a-Cel-C12C8.jpg │   ├── Figure S19f-b-Cel-C12C8.jpg │   ├── Figure S19g-a-Cel-C14C10-DG.jpg │   ├── Figure S19h-a-Cel-C14C10-HEX.jpg │   ├── Figure S19i-b-Cel-C14C10.jpg │   ├── Figure S19j-b-Cel-C10C6-before oil addition.jpg │   └── Figure S19k-b-Cel-C10C6-after oil addition.jpg ├── Figure S20 │   ├── SAXS data-a-Cel-C14C10 at 25 C after cooling │   │   ├── Image-a-Cel-C14C10-25C-cool.jpg │   │   ├── SAXS data-a-Cel-C14C10-25C-.txt │   │   └── SAXS plot.pxp │   └── SAXS data-b-Cel-C10C6 at 25 C after cooling │   ├── Image_b_Cel_C10C6-25C.jpg │   ├── SAXS -b-Cel-.pxp │   └── SAXS data-b-Cel-C10C6-25.dat ├── Figure S21 │   ├── Figure_s21a.png │   ├── Figure_s21b.png │   ├── a_cel_c8c4_saxs.dat │   └── b_cel_c8c4_saxs.dat ├── Figure S22 │   ├── Figure_s22a.npy │   ├── Figure_s22a.png │   ├── Figure_s22b.npy │   └── Figure_s22b.png ├── Figure S23 │   ├── Figure_s23a.npy │   ├── Figure_s23a.png │   ├── Figure_s23b.npy │   └── Figure_s23b.png ├── Figure S24 │   ├── Figure_s24a.png │   ├── Figure_s24b.png │   ├── a_cel_c8c4_head_density.xvg │   ├── a_cel_c8c4_methyl_density.xvg │   ├── a_cel_c8c4_monolayer_density.npy │   ├── a_cel_c8c4_tail_density.xvg │   ├── b_cel_c8c4_head_density.xvg │   ├── b_cel_c8c4_methyl_density.xvg │   ├── b_cel_c8c4_monolayer_density.npy │   └── b_cel_c8c4_tail_density.xvg ├── Figure S25 │   ├── Figure_s25.png │   ├── a_cel_c8c4_density.xvg │   └── b_cel_c8c4_density.xvg ├── Figure S26 │   ├── Figure_s26a.png │   ├── Figure_s26b.png │   ├── Figure_s26c.png │   ├── Figure_s26d.png │   ├── a_cel_c8c4_interlayer_hbond.npy │   ├── a_cel_c8c4_intralayer_hbond.npy │   ├── b_cel_c8c4_interlayer_hbond.npy │   └── b_cel_c8c4_intralayer_hbond.npy ├── Figure S27 │   ├── Figure_s27.png │   ├── a_cel_c8c4_angle2norm.npy │   └── b_cel_c8c4_angle2norm.npy ├── Figure S28 │   ├── Figure_s28a.png │   ├── Figure_s28b.png │   ├── Figure_s28c.png │   ├── a-cel_c14c10_390k.xvg │   ├── a_cel-c10c6_390k.xvg │   ├── a_cel_c10c6_420k.xvg │   ├── a_cel_c10c6_450k.xvg │   ├── a_cel_c12c8_390k.xvg │   ├── a_cel_c12c8_420k.xvg │   ├── a_cel_c12c8_450k.xvg │   ├── a_cel_c14c10_420k.xvg │   ├── a_cel_c14c10_450k.xvg │   ├── a_cel_c8c4_390k.xvg │   ├── a_cel_c8c4_420k.xvg │   ├── a_cel_c8c4_450k.xvg │   └── density_data.xlsx ├── Figure S29 │   ├── Figure_s29a.png │   ├── Figure_s29b.png │   ├── Figure_s29c.png │   ├── b_cel_c10c6_390k.xvg │   ├── b_cel_c10c6_420k.xvg │   ├── b_cel_c10c6_450k.xvg │   ├── b_cel_c12c8_390k.xvg │   ├── b_cel_c12c8_420k.xvg │   ├── b_cel_c12c8_450k.xvg │   ├── b_cel_c14c10_390k.xvg │   ├── b_cel_c14c10_420k.xvg │   ├── b_cel_c14c10_450k.xvg │   ├── b_cel_c8c4_390k.xvg │   ├── b_cel_c8c4_420k.xvg │   ├── b_cel_c8c4_450k.xvg │   └── density_data.xlsx ├── Scheme 1 │   └── Scheme 1-Synthesis of Guerbet cellobiosides.cdxml ├── Simulation details │   ├── a_cel_c8c4 │   │   ├── a-cel-c8c4.itp │   │   ├── a-cel-c8c4_lam_4.pdb │   │   ├── charmm-trappe_bb.itp │   │   ├── ener-final.edr │   │   ├── eql.mdp │   │   └── traj-final.trr │   └── b_cel_c8c4 │   ├── b-cel-c8c4.itp │   ├── b-cel-c8c4_lam.pdb │   ├── charmm-trappe_bb.itp │   ├── ener-final.edr │   ├── eql.mdp │   └── traj-final.trr ├── Table 1 │   ├── Table 1-DSC data of all compounds │   │   ├── a-Cel-C10C6.txt │   │   ├── a-Cel-C12C8.txt │   │   ├── a-Cel-C14C10.txt │   │   ├── a-Cel-C6C2.txt │   │   ├── a-Cel-C8C4.txt │   │   ├── b-Cel-C10C6.txt │   │   ├── b-Cel-C12C8.txt │   │   ├── b-Cel-C14C10.txt │   │   ├── b-Cel-C6C2.txt │   │   └── b-Cel-C8C4.txt │   └── Table 1-SAXS data of all compounds │   ├── Lattice parameters of all compounds at 115C.xlsx │   ├── SAXS data of a-Cel-C10C6 at 115 C │   │   ├── MAXS of a-Cel-C10C6 at 115 C.txt │   │   ├── SAXS of a-Cel-C10C6 at 115 C.txt │   │   └── SAXS plot-a-Cel-C10C6 at 115C.pxp │   ├── SAXS data of a-Cel-C12C8 at 115 C │   │   ├── SAXS data-a-Cel-C12C8-at 115 C plot.dat │   │   └── SAXS plot-a-Cel-C12C8-at 115 C plot.pxp │   ├── SAXS data of a-Cel-C14C10 at 115 C │   │   ├── MAXS data of a-Cel-C14C10 at 115 C.txt │   │   ├── SAXS data of a-Cel-C14C10 at 115 C.txt │   │   └── SAXS plot of a-Cel-C14C10 at 115 C.pxp │   ├── SAXS data of a-Cel-C6C2 at 115 C │   │   ├── SAXS plot-a-Cel-C6C2.pxp │   │   └── SAXS-a-Cel-C6C2-115C.dat │   ├── SAXS data of a-Cel-C8C4 at 115 C │   │   ├── SAXS data of a-Cel-C8C4 at 115 C.dat │   │   └── SAXS plot of a-Cel-C8C4 at 115 C.pxp │   ├── SAXS data of b-Cel-C10C6 at 115 C │   │   ├── MAXS data of b-Cel-C10C6 at 115 C.dat │   │   └── SAXS plot of b-Cel-C10C6 at 115 C.pxp │   ├── SAXS data of b-Cel-C12C8 at 115 C │   │   ├── MAXS data of b-Cel-C12C8 at 115 C.dat │   │   └── MAXS plot-b-Cel-C12C8 at 115 C.pxp │   ├── SAXS data of b-Cel-C14C10 at 115 C │   │   ├── Full q range_C14C10-b-115C.pxp │   │   ├── MAXS data of a-Cel-C14C10 at 115 C.txt │   │   ├── SAXS data of a-Cel-C14C10 at 115 C.txt │   │   └── SAXS plot of b-Cel-C14C10 at 115 C.pxp │   ├── SAXS data of b-Cel-C6C2 at 115 C │   │   ├── SAXS data-a-Cel-C6C2-115C.dat │   │   └── SAXS plot-b-Cel-C6C2.pxp │   └── SAXS data of b-Cel-C8C4 at 115 C │   ├── SAXS data-b-Cel-C8C4 at 115 C.dat │   └── SAXS plot-b-Cel-C8C4 at 115 C-plot.pxp ├── Table S1 │   ├── DSC data for Tg and TODT │   │   ├── a-Cel-C10C6.txt │   │   ├── a-Cel-C12C8.txt │   │   ├── a-Cel-C14C10.txt │   │   ├── a-Cel-C6C2.txt │   │   ├── a-Cel-C8C4.txt │   │   ├── b-Cel-C10C6.txt │   │   ├── b-Cel-C12C8.txt │   │   ├── b-Cel-C14C10.txt │   │   ├── b-Cel-C6C2.txt │   │   └── b-Cel-C8C4.txt │   ├── POM data for TODT │   │   ├── a-Cel-C10C6-1.tif │   │   ├── a-Cel-C10C6-2.tif │   │   ├── a-Cel-C10C6-3.tif │   │   ├── a-Cel-C12C8-1.tif │   │   ├── a-Cel-C12C8-2.tif │   │   ├── a-Cel-C12C8-3.tif │   │   ├── a-Cel-C12C8-4.tif │   │   ├── a-Cel-C12C8-5.tif │   │   ├── a-Cel-C12C8-6.tif │   │   ├── a-Cel-C14C10-1.tif │   │   ├── a-Cel-C14C10-2.tif │   │   ├── a-Cel-C14C10-3.tif │   │   ├── a-Cel-C14C10-4.tif │   │   ├── a-Cel-C6C2-1.tif │   │   ├── a-Cel-C6C2-2.tif │   │   ├── a-Cel-C6C2-3.tif │   │   ├── a-Cel-C6C2-4.tif │   │   ├── a-Cel-C6C2-5.tif │   │   ├── a-Cel-C8C4-1.tif │   │   ├── a-Cel-C8C4-2.tif │   │   ├── a-Cel-C8C4-3.tif │   │   ├── a-Cel-C8C4-4.tif │   │   ├── a-Cel-C8C4-5.tif │   │   ├── a-Cel-C8C4-6.tif │   │   ├── b-Cel-C10C6-1.tif │   │   ├── b-Cel-C10C6-2.tif │   │   ├── b-Cel-C10C6-3.tif │   │   ├── b-Cel-C10C6-4.tif │   │   ├── b-Cel-C12C8-1.tif │   │   ├── b-Cel-C12C8-2.tif │   │   ├── b-Cel-C12C8-3.tif │   │   ├── b-Cel-C12C8-4.tif │   │   ├── b-Cel-C14C10-1.tif │   │   ├── b-Cel-C14C10-2.tif │   │   ├── b-Cel-C14C10-3.tif │   │   ├── b-Cel-C6C2-1.tif │   │   ├── b-Cel-C6C2-2.tif │   │   ├── b-Cel-C6C2-3.tif │   │   ├── b-Cel-C8C4-1.tif │   │   ├── b-Cel-C8C4-2.tif │   │   ├── b-Cel-C8C4-3.tif │   │   ├── b-Cel-C8C4-4.tif │   │   ├── b-Cel-C8C4-5.tif │   │   ├── b-Cel-C8C4-6.tif │   │   ├── b-Cel-C8C4-7.tif │   │   └── b-Cel-C8C4-8.tif │   └── SAXS data for TODT │   ├── SAXS Data-a-Cel-C10C6-all temperature │     │   ├── SAXS data-a-Cel-C10C6-115C.txt │      │   ├── SAXS data-a-Cel-C10C6-175C.txt │       │   ├── SAXS data-a-Cel-C10C6-205C.txt │      │   ├── SAXS data-a-Cel-C10C6-25C.txt │      │   ├── SAXS data-a-Cel-C10C6-55C.txt │      │   ├── SAXS data-a-Cel-C10C6-85C.txt │      │   └── SAXS plot-a-Cel-C10C6.pxp │   ├── SAXS Data-b-Cel-C10C6-all temperature │   │   ├── SAXS data-b-Cel-C10C6-115C.dat │   │   ├── SAXS data-b-Cel-C10C6-145C.dat │   │   ├── SAXS data-b-Cel-C10C6-175C.dat │   │   ├── SAXS data-b-Cel-C10C6-25C.dat │   │   ├── SAXS data-b-Cel-C10C6-55C.dat │   │   ├── SAXS data-b-Cel-C10C6-85C.dat │   │   └── SAXS plot-b-Cel-C10C6.pxp │   ├── SAXS data of a-Cel-C14C10 at all temperatures │   │   ├── MAXS-a-Cel-C14C10 at 115 C.txt │   │   ├── MAXS-a-Cel-C14C10 at 145 C.txt │   │   ├── MAXS-a-Cel-C14C10 at 185 C.txt │   │   ├── MAXS-a-Cel-C14C10 at 25 C.txt │   │   ├── MAXS-a-Cel-C14C10 at 55 C.txt │   │   ├── MAXS-a-Cel-C14C10 at 85 C.txt │   │   ├── SAXS-a-Cel-C14C10 at 115 C.txt │   │   ├── SAXS-a-Cel-C14C10 at 145 C.txt │   │   ├── SAXS-a-Cel-C14C10 at 185 C.txt │   │   ├── SAXS-a-Cel-C14C10 at 25 C.txt │   │   ├── SAXS-a-Cel-C14C10 at 55 C.txt │   │   ├── SAXS-a-Cel-C14C10 at 85 C.txt │   │   └── plot-a-Cel-C14C10-all temp.pxp │   ├── SAXS data-a-Cel-C12C8-all temperatures │   │   ├── SAXS data-a-Cel-C12C8-115C.dat │   │   ├── SAXS data-a-Cel-C12C8-145C.dat │   │   ├── SAXS data-a-Cel-C12C8-175C.dat │   │   ├── SAXS data-a-Cel-C12C8-25C.dat │   │   ├── SAXS data-a-Cel-C12C8-55C.dat │   │   ├── SAXS data-a-Cel-C12C8-85C.dat │   │   └── SAXS plot-a-Cel-C12C8.pxp │   ├── SAXS data-a-Cel-C6C2 at all temperature │      │   ├── SAXS data-b-Cel-C6C2-115C.dat │      │   ├── SAXS data-b-Cel-C6C2-145C.dat │      │   ├── SAXS data-b-Cel-C6C2-175C.dat │      │   ├── SAXS data-b-Cel-C6C2-25C.dat │      │   ├── SAXS data-b-Cel-C6C2-55C.dat │      │   ├── SAXS data-b-Cel-C6C2-85C.dat │      │   └── SAXS plot-b-Cel-C6C2.pxp │   ├── SAXS data-a-Cel-C8C4-all temperatures │   │   ├── SAXS data-a-Cel-C8C4-115C.dat │   │   ├── SAXS data-a-Cel-C8C4-145C.dat │   │   ├── SAXS data-a-Cel-C8C4-185C.dat │   │   ├── SAXS data-a-Cel-C8C4-205C.dat │   │   ├── SAXS data-a-Cel-C8C4-25C.dat │   │   ├── SAXS data-a-Cel-C8C4-55C.dat │   │   ├── SAXS data-a-Cel-C8C4-85C.dat │   │   └── SAXS plot-a-Cel-C8C4.pxp │   ├── SAXS data-b-Cel-C12C8-all temperatures │   │   ├── SAXS data-b-Cel-C12C8-115C.dat │   │   ├── SAXS data-b-Cel-C12C8-145C.dat │   │   ├── SAXS data-b-Cel-C12C8-205C.dat │   │   ├── SAXS data-b-Cel-C12C8-25C.dat │   │   ├── SAXS data-b-Cel-C12C8-55C.dat │   │   ├── SAXS data-b-Cel-C12C8-85C.dat │   │   └── SAXS plot-b-Cel-C12C8.pxp │   ├── SAXS data-b-Cel-C14C10-all temperatures │   │   ├── MAXS data-b-Cel-C14C10-115C.txt │   │   ├── MAXS data-b-Cel-C14C10-145C.txt │   │   ├── MAXS data-b-Cel-C14C10-185C.txt │   │   ├── MAXS data-b-Cel-C14C10-205C.txt │   │   ├── MAXS data-b-Cel-C14C10-25C.txt │   │   ├── MAXS data-b-Cel-C14C10-55C.txt │   │   ├── MAXS data-b-Cel-C14C10-85C.txt │   │   ├── SAXS data-b-Cel-C14C10-115C.txt │   │   ├── SAXS data-b-Cel-C14C10-145C.txt │   │   ├── SAXS data-b-Cel-C14C10-185C.txt │   │   ├── SAXS data-b-Cel-C14C10-205C.txt │   │   ├── SAXS data-b-Cel-C14C10-25C.txt │   │   ├── SAXS data-b-Cel-C14C10-55C.txt │   │   ├── SAXS data-b-Cel-C14C10-85C.txt │   │   └── SAXS plot-b-Cel-C14C10.pxp │   ├── SAXS data-b-Cel-C6C2 at all temperature │   │   ├── SAXS data-b-Cel-C6C2-115C.dat │   │   ├── SAXS data-b-Cel-C6C2-145C.dat │   │   ├── SAXS data-b-Cel-C6C2-175C.dat │   │   ├── SAXS data-b-Cel-C6C2-25C.dat │   │   ├── SAXS data-b-Cel-C6C2-55C.dat │   │   ├── SAXS data-b-Cel-C6C2-85C.dat │   │   └── SAXS plot-b-Cel-C6C2.pxp │   └── SAXS data-b-Cel-C8C4-all temperatures │   ├── SAXS data-b-Cel-C8C4-115C.dat CB-C8C4-B.pxp │   ├── SAXS data-b-Cel-C8C4-145C.dat │   ├── SAXS data-b-Cel-C8C4-185C.dat │   ├── SAXS data-b-Cel-C8C4-205C.dat │   ├── SAXS data-b-Cel-C8C4-25C.dat │   ├── SAXS data-b-Cel-C8C4-55C.dat │   └── SAXS plot-b-Cel-C8C4.pxp ├── Table S2 │   ├── Lattice parameter of all compounds in LC phases.xlsx │   ├── SAXS Data-a-Cel-C10C6-all temperature │   │   ├── SAXS Data-a-Cel-C10C6-all temperature.pxp │   │   ├── SAXS data-a-Cel-C10C6-115C.txt │   │   ├── SAXS data-a-Cel-C10C6-175C.txt │   │   ├── SAXS data-a-Cel-C10C6-205C.txt │   │   ├── SAXS data-a-Cel-C10C6-25C.txt │   │   ├── SAXS data-a-Cel-C10C6-55C.txt │   │   └── SAXS data-a-Cel-C10C6-85C.txt │   ├── SAXS Data-b-Cel-C10C6-all temperature │   │   ├── SAXS data-b-Cel-C10C6-115C.dat │   │   ├── SAXS data-b-Cel-C10C6-145C.dat │   │   ├── SAXS data-b-Cel-C10C6-175C.dat │   │   ├── SAXS data-b-Cel-C10C6-25C.dat │   │   ├── SAXS data-b-Cel-C10C6-55C.dat │   │   ├── SAXS data-b-Cel-C10C6-85C.dat │   │   └── SAXS plot-b-Cel-C10C6.pxp │   ├── SAXS data of a-Cel-C14C10 at all temperatures │   │   ├── MAXS-a-Cel-C14C10 at 115 C.txt │   │   ├── MAXS-a-Cel-C14C10 at 145 C.txt │   │   ├── MAXS-a-Cel-C14C10 at 185 C.txt │   │   ├── MAXS-a-Cel-C14C10 at 25 C.txt │   │   ├── MAXS-a-Cel-C14C10 at 55 C.txt │   │   ├── MAXS-a-Cel-C14C10 at 85 C.txt │   │   └── plot of-a-Cel-C14C10.pxp │   ├── SAXS data-a-Cel-C12C8-all temperatures │   │   ├── SAXS data-a-Cel-C12C8-115C.dat │   │   ├── SAXS data-a-Cel-C12C8-145C.dat │   │   ├── SAXS data-a-Cel-C12C8-175C.dat │   │   ├── SAXS data-a-Cel-C12C8-25C.dat │   │   ├── SAXS data-a-Cel-C12C8-55C.dat │   │   ├── SAXS data-a-Cel-C12C8-85C.dat │   │   └── SAXS plot-a-Cel-C12C8.pxp │   ├── SAXS data-a-Cel-C6C2 at all temperature │   │   ├── SAXS data-a-Cel-C6C2-115C.dat │   │   ├── SAXS data-a-Cel-C6C2-145C.dat │   │   ├── SAXS data-a-Cel-C6C2-175C.dat │   │   ├── SAXS data-a-Cel-C6C2-25C.dat │   │   ├── SAXS data-a-Cel-C6C2-55C.dat │   │   ├── SAXS data-a-Cel-C6C2-85C.dat │   │   └── SAXS plot-a-Cel-C6C2.pxp │   ├── SAXS data-a-Cel-C8C4-all temperatures │   │   ├── SAXS data-a-Cel-C8C4-115C.dat │   │   ├── SAXS data-a-Cel-C8C4-145C.dat │   │   ├── SAXS data-a-Cel-C8C4-185C.dat │   │   ├── SAXS data-a-Cel-C8C4-205C.dat │   │   ├── SAXS data-a-Cel-C8C4-25C.dat │   │   ├── SAXS data-a-Cel-C8C4-55C.dat │   │   ├── SAXS data-a-Cel-C8C4-85C.dat │   │   └── SAXS plot-a-Cel-C8C4.pxp │   ├── SAXS data-b-Cel-C12C8-all temperatures │   │   ├── SAXS data-b-Cel-C12C8-115C.dat │   │   ├── SAXS data-b-Cel-C12C8-145C.dat │   │   ├── SAXS data-b-Cel-C12C8-205C.dat │   │   ├── SAXS data-b-Cel-C12C8-25C.dat │   │   ├── SAXS data-b-Cel-C12C8-55C.dat │   │   ├── SAXS data-b-Cel-C12C8-85C.dat │   │   └── SAXS plot-b-Cel-C12C8.pxp │   ├── SAXS data-b-Cel-C14C10-all temperatures │   │   ├── MAXS data-b-Cel-C14C10-115C.txt │   │   ├── MAXS data-b-Cel-C14C10-145C.txt │   │   ├── MAXS data-b-Cel-C14C10-185C.txt │   │   ├── MAXS data-b-Cel-C14C10-205C.txt │   │   ├── MAXS data-b-Cel-C14C10-25C.txt │   │   ├── MAXS data-b-Cel-C14C10-55C.txt │   │   ├── MAXS data-b-Cel-C14C10-85C.txt │   │   └── MAXS plot-b-Cel-C14C10.pxp │   ├── SAXS data-b-Cel-C6C2 at all temperature │   │   ├── SAXS data-a-Cel-C6C2-115C.dat │   │   ├── SAXS data-a-Cel-C6C2-145C.dat │   │   ├── SAXS data-a-Cel-C6C2-175C.dat │   │   ├── SAXS data-a-Cel-C6C2-25C.dat │   │   ├── SAXS data-a-Cel-C6C2-55C.dat │   │   ├── SAXS data-a-Cel-C6C2-85C.dat │   │   └── SAXS plot-b-Cel-C6C2.pxp │   └── SAXS data-b-Cel-C8C4-all temperatures │   ├── CB-C8C4-B.pxp │   ├── SAXS data-b-Cel-C8C4-115C.dat │   ├── SAXS data-b-Cel-C8C4-145C.dat │   ├── SAXS data-b-Cel-C8C4-185C.dat │   ├── SAXS data-b-Cel-C8C4-205C.dat │   ├── SAXS data-b-Cel-C8C4-25C.dat │   ├── SAXS data-b-Cel-C8C4-55C.dat │   └── SAXS data-b-Cel-C8C4-85C.dat ├── Table S3 │   ├── Comparison of the observed and calculated value of d-b-Cel-C10C6-85C.xlsx │   └── SAXS data-b-Cel-C10C6-85C.dat └── Table S4 ├── a-cel_c14c10_390k.xvg ├── a_cel-c10c6_390k.xvg ├── a_cel_c10c6_420k.xvg ├── a_cel_c10c6_450k.xvg ├── a_cel_c12c8_390k.xvg ├── a_cel_c12c8_420k.xvg ├── a_cel_c12c8_450k.xvg ├── a_cel_c14c10_420k.xvg ├── a_cel_c14c10_450k.xvg ├── a_cel_c8c4_390k.xvg ├── a_cel_c8c4_420k.xvg ├── a_cel_c8c4_450k.xvg ├── b_cel_c10c6_390k.xvg ├── b_cel_c10c6_420k.xvg ├── b_cel_c10c6_450k.xvg ├── b_cel_c12c8_390k.xvg ├── b_cel_c12c8_420k.xvg ├── b_cel_c12c8_450k.xvg ├── b_cel_c14c10_390k.xvg ├── b_cel_c14c10_420k.xvg ├── b_cel_c14c10_450k.xvg ├── b_cel_c8c4_390k.xvg ├── b_cel_c8c4_420k.xvg └── b_cel_c8c4_450k.xvg