Dissipative Particle Dynamics Simulation of the Phase Behavior of T‑Shaped Ternary Amphiphiles Possessing Rodlike Mesogens

We employed dissipative particle dynamics simulations to explore the phase behavior of T-shaped ternary amphiphiles composed of rodlike cores connected by two incompatible end chains and side grafted segments. By fine-tuning the number of terminal and lateral beads, three phase diagrams for the model systems with different terminal chain lengths are constructed in terms of temperature and lateral chain length, which have some common features and mostly compare favorably with experimental studies with the exception a couple of new phases. It is worthwhile to highlight that the mixed cylindrical phase and the perforated layer phase, as the experimentally observed mesophases exclusive for facial amphiphilies, are found in simulations for the first time. Also, a novel gyroid structure is observed in series of T-shaped ternary amphiphiles for the first time. Furthermore, by evaluating the effective volume fraction of lateral chains, the phase sequence spanning from conventional smectic layer phase via perforated layer structures and polygonal cylindrical arrays to novel lamellar mesophase is established, which is not just qualitatively consistent with the related experimental findings but even the stability windows of some mesophases quantitatively correspond well to experimental results. The success of reproducing the in-plane ordering of rods in the lamellar phase as well as the generic phase diagram of such T-shaped ternary amphiphiles in great detail implies that our genetic model qualitatively captures many of the characteristics of the phase behavior of real T-shaped molecules and could serve as a satisfactory basis for further exploration of self-organization in other related soft matter systems

Characteristics of studies that used propranolol for treating IHs.

<p>NR, not reported; RS, retrospective study; PS, prospective study; H&N, head and neck</p><p>Characteristics of studies that used propranolol for treating IHs.</p

Flow chart of the study selection process.

<p>Flow chart of the study selection process.</p

Stratified analysis of propranolol for treating IHs.

<p>Stratified analysis of propranolol for treating IHs.</p

Random Copolycarbonates Based on a Renewable Bicyclic Diol Derived from Citric Acid

To address the poor thermal stability of isohexides while at the same time retain rigidity, we developed a novel bicyclic diol octahydro-2,5-pentalenediol (OPD) from naturally occurring citric acid in this study. Owing to the bicyclic skeleton composed of two fused cyclopentane rings, OPD is supposed to have perfect rigidity but higher thermal stability compared to isohexides. Herein, OPD was first converted to octahydro-2,5-pentalenediol bis­(methyl carbonate) (OPBMC) by reacting with dimethyl carbonate. The absolute stereochemistry of OPBMC was investigated by 2D ¹H NMR and ¹³C NMR as well as single crystal X-ray diffraction. By polymerization of OPBMC with several aliphatic diols [1,8-octanediol (A₈), 1,10-decanediol (A₁₀), and 1,12-dodeacnediol (A₁₂)] and alicyclic diols [1,4-cyclohexane­dimethanol (CHDM), 1,2,2-trimethyl­cyclopentane-1,3-dimethanol (TCDM), and octahydro-2,5-pentalenediol (OPD)], a series of bio-based copolycarbonates (co-PCs) with intriguing properties were synthesized. NMR spectra revealed that the stereochemistry of OPBMC was preserved after polymerization. Both differential scanning calorimetry and wide-angle X-ray diffraction analyses revealed that co-PCs made from A₈, A₁₀, A₁₂, and OPD are semicrystalline, while co-PCs based on CHDM and TCDM are amorphous. A relatively high <i>T</i>_5% of 276 °C and outstanding high <i>T</i>_g up to 80.4 °C were detected for fully OPD-based co-PC, confirming the excellent thermal stability and rigidity of OPD. This work addresses some critical needs for high performance polymers such as improving the sustainability of raw materials and achieving both high <i>T</i>_g values and thermal stability

Characteristics of studies that used other therapies for treating IHs.

<p>NR, not reported; RS, retrospective study; PS, prospective study; H&N, head and neck</p><p>Characteristics of studies that used other therapies for treating IHs.</p

Complications and adverse events of propranolol (N. = 1893).

<p>Complications and adverse events of propranolol (N. = 1893).</p

The effectiveness of other therapies for treating IHs.

<p>The effectiveness of other therapies for treating IHs.</p

Lake Topography and Wind Waves Determining Seasonal-Spatial Dynamics of Total Suspended Matter in Turbid Lake Taihu, China: Assessment Using Long-Term High-Resolution MERIS Data

<div><p>Multiple comprehensive <i>in situ</i> bio-optical investigations were conducted from 2005 to 2010 and covered a large variability of total suspended matter (TSM) in Lake Taihu to calibrate and validate a TSM concentration estimation model based on Medium Resolution Imaging Spectrometer (MERIS) data. The estimation model of the TSM concentration in Lake Taihu was developed using top-of-atmosphere (TOA) radiance of MERIS image data at band 9 in combination with a regional empirical atmospheric correction model, which was strongly correlated with the <i>in situ</i> TSM concentration (<i>r</i>² = 0.720, <i>p</i><0.001, and <i>n</i> = 73). The relative root mean square error (<i>RRMSE</i>) and mean relative error (<i>MRE</i>) were 36.9% and 31.6%, respectively, based on an independent validation dataset that produced reliable estimations of the TSM concentration. The developed algorithm was applied to 50 MERIS images from 2003 to 2011 to obtain a high spatial and temporal heterogeneity of TSM concentrations in Lake Taihu. Seasonally, the highest and lowest TSM concentrations were found in spring and autumn, respectively. Spatially, TSM concentrations were high in the southern part and center of the lake and low in Xukou Bay, East Lake Taihu. The lake topography, including the water depth and distance from the shore, had a significant effect on the TSM spatial distribution. A significant correlation was found between the daily average wind speed and TSM concentration (<i>r</i>² = 0.685, <i>p</i><0.001, and <i>n</i> = 50), suggesting a critical role of wind speed in the TSM variations in Lake Taihu. In addition, a low TSM concentration was linked to the appearance of submerged aquatic vegetation (SAV). Therefore, TSM dynamics were controlled by the lake topography, wind-driven sediment resuspension and SAV distribution.</p></div

Correlations between the normalized top-of-atmosphere radiance (TOA) and remote sensing reflectance at the four MERIS bands 9 (a), 10 (b), 11 (c) and 12 (d).

<p>Correlations between the normalized top-of-atmosphere radiance (TOA) and remote sensing reflectance at the four MERIS bands 9 (a), 10 (b), 11 (c) and 12 (d).</p