Besides Bip, other proteins (GRP94, CNX, CRT, PDIs, GlcII, ERP57, Bap31, Hsp70, and Hsp90) happened both KCr and Khib modifications. Nine DMPs having both KCr and Khib modifications were related to the glycolysis/gluconeogenesis pathway containing two key regulatory enzymes of hexokinase-1 and pyruvate kinase. The two most abundant dual modification proteins were ENO1 and PGK1 with 15 sites and 8 sites, respectively. Lysine residue K228 with both KCr and Khib modifications in ENO1 was on its surface and made it accessible for p300 mediating dynamic modifications. Overall, we hypothesize that KCr and Khib comodifications may influence the number of immunocytes and further induce immune senescence in ESRD patients through the glycolysis/gluconeogenesis pathway and protein processing in the ER process, which may be a potential therapeutic direction in the future.A novel hydrate form of sodium dodecyl sulfate (SDS) was firstly discovered through a hydrate screening with the use of organic solvents, while SDS is generally prepared solely in aqueous media. Surprisingly, a novel SDS hydrate form with needle-shaped crystals produced by adding acetonitrile to a 20 wt % SDS aqueous solution at a ratio of 31 (v/v) and further cooling to around 5 °C could be found with a trace amount in one of the two purchased SDS products that we examined. After comprehensive solid-state characterizations by powder X-ray diffraction (PXRD), thermogravimetric analysis (TGA), Fourier transform infrared (FTIR), Raman spectroscopy, dynamic vapor sorption (DVS), and elemental analysis (EA), it is also successfully made directly from the synthesis of SDS through esterification and saponification. Four times the equal proportion of acetone was added into the reaction solution at an interval of 5 min to separate the side product, sodium sulfate, from the mother liquor. The desired novel hydrate form of SDS was then obtained by cooling the filtered mother liquor to 5 °C and aged for 8 h for a preferential growth.Owing to their potential applicability against multidrug-resistant bacteria, antimicrobial peptides (AMPs) or host defense peptides (HDPs) gain increased attention. Besides diverse immunomodulatory roles, their classical mechanism of action mostly involves membrane disruption of microbes. Notably, their unbalanced overexpression has also been associated with host cell cytotoxicity in various diseases. Relatedly, AMPs can be subject to aggregate formation, either via self-assembly or together with other compounds, which has demonstrated a modulation effect on their biological functions, thus highly relevant both for drug targeting projects and understanding their in vivo actions. However, the molecular aspects of the related assembly formation are not understood. Here, we focused in detail on an experimentally studied AMP-drug system, i.e., CM15-suramin, and performed all-atom and coarse-grain (CG) simulations. Results obtained for all systems were in close line with experimental observations and indicate thate of AMP assemblies, resulting in the dissolution of the complexes into the membrane. The phenomenon observed here at a molecular level can be followed in several experimental systems studied recently, where peptides interact with food colors, drug molecules, or endogenous compounds, which strongly indicates that reversible associate formation is a general phenomenon for these complexes. These results are hoped to be exploited in novel therapeutic strategies aiming to use peptides as drug targets and control AMP bioactivity by directed assembly formation.Biosurfactant rhamnolipids (RLs) have gained global interests owing to their fully green properties, potentially wide applications in diverse fields, as well as high stabilities under various harsh conditions. Nevertheless, we doubted the reputed stability of RLs in considering their natural structure of carbohydrate heads and lipid tails. This study, for the first time, systematically investigated the stability of RLs at varying temperatures and pH. As found, the concentration of RLs in an aqueous solution was significantly reduced when the pH was over 11 at room temperature, and this was much more severe with the increase in temperature and preservation time. According to the high-performance liquid chromatography-mass spectrometry (HPLC-MS) analysis, degradation yielded other RL congeners, 3-hydroxy fatty acids, rhamnose, methyl furfural, and organic acids. The newly generated RL congeners and fatty acids still possessed equivalent surface activities in reducing the surface tension of the aqueous solution, well explaining the previously claimed high stability of RLs. The finding will be greatly valued for commercially developing the industrial applications of RLs and other biosurfactants.Calcined Ca-Al hydrotalcites were prepared by the clean method (Ca-LDO-1) and traditional co-precipitation method (Ca-LDO-2), respectively. The effect of the preparation method on the adsorption of glyphosate by calcined Ca-Al hydrotalcites was investigated. The adsorbents were also characterized by X-ray diffraction (XRD), thermogravimetric (TG) analysis, inductively coupled plasma optical emission spectroscopy (ICP-OES), and low-temperature N2 adsorption-desorption, respectively. Compared with Ca-LDO-2, Ca-LDO-1 had higher specific surface area and pore volume, which caused it to show better adsorption performance and reusability for the adsorbing of glyphosate. In addition, the kinetics and thermodynamics of the adsorption of glyphosate by Ca-LDO-1 were studied. The results showed that it was more consistent with the pseudo-second-order kinetic equation and Langmuir isotherm equation.The energy-saving anode with low oxidization potential has been an intriguing pursue for earth-abundant seawater electrolysis. In this paper, we first introduced a superior energy-saving carbohydrazide oxidization reaction catalysis system in the anode section, which can be driven by commercial graphite paper with good durability. Combining this catalysis reaction and common graphite paper, the lowest anodic potentials 0.63 V (vs RHE) and 1.09 V (vs RHE) were obtained for driving a 10 mA/cm2 current density in alkali and near-neutral seawater electrolytes, respectively, outperforming all the as-reported alkali or near-neutral seawater catalysts accordingly to the best of our knowledge.We applied the density functional theory and nonequilibrium Green’s function method (DFT + NEGF) to investigate the relationship between the conductance and chain length in the stretching process, the asymmetric coupling of contact points, and the influence of positive and negative biases on the electron transport properties of the nanojunctions formed by the coupling of (BN) n (n = 1-4) linear chains and Au(100)-3 × 3 semi-infinite electrodes. We find that the BN junction has the lowest stability and the (BN)2 junction has the highest stability. Under zero bias, the equilibrium conductance decreases as the chain length increases; px and py orbitals play a leading role in electron transport. In the bias range of -1.6 to 1.6 V, the current of the (BN) n (n = 1-4) linear chains increases linearly with increasing voltage. Under the same bias voltage, (BN)1 has the largest current, so its electron transport property is the best. The rectification effect reflects the asymmetry of the structure of BN linear chains themselves and the asymmetry of coupling with the Au electrode surfaces at both ends. With the chain length increasing, the transmission spectrum near E f is suppressed, the tunneling current decreases, and the rectification ratio increases. (BN)4 molecular junctions have the largest rectification ratio, reaching 13.32 when the bias voltage is 1.6 V. Additionally, the Au-N strong coupling is more conducive to the electron transport of the molecular chain than the Au-B weak coupling. Our calculations provide an important theoretical reference for the design and development of BN linear-chain nanodevices.Compared to conventional reservoirs, only a few studies were carried out on the heterogeneity of unconventional tight sandstone reservoirs. This paper focuses on the Upper Paleozoic tight gas sandstone reservoir in the southeast of the Ordos Basin. The reservoir heterogeneity is studied through thin section and scanning electron microscope observations, cathode luminescence, mercury intrusion, and logging data analysis. The results show that the dissolution pore and microfracture is the dominant pathway for the migration of natural gas. The distribution of gas and water within the sand body is affected by the rhythmic change of sandstone, and this rhythmicity is variable with the changing of particle size. It shows „water wrapping gas” for the positive rhythm, „gas wrapping water” for the reverse rhythm, and both of these features for the compound rhythm. Interlayers act as a cap rock or carrier bed on gas distribution. Along with the variation of breakthrough pressure of the interlayer and saturation pressure of the reservoir, the single sand body shows different distribution features of gas and water. The vertical differentiation of natural gas is caused by the barrier layer, and the more barrier layers exist, the worse the capacity of the reservoir to store natural gas. However, the existence of the barrier layer will make the reservoir close to the source area to be the favorable zone for oil and gas accumulation. In this study, the relationship between heterogeneity and gas as well as water distribution of tight sandstone is identified, which can provide guidance to the exploration and exploitation of tight gas in the future.The most common saturated fatty acid in the human diet is palmitic acid (PA), and emerging evidence suggests that it may have anticancer activity. Methylseleninic acid (MSeA), the most commonly used selenium derivative in humans, has specific cytotoxic effects on several cancer cells. However, it is generally considered that HepG2 cells are insensitive to MSeA-induced death. In our current research, we found that the addition of PA increased the sensitivity of HepG2 cells to low-dose MSeA-induced apoptosis. The anticancer efficacy of the MSeA/PA combination was also demonstrated in a HepG2 xenograft model. Further experiments revealed that IRE1 inhibition significantly enhanced the PA-induced apoptosis, indicating the prosurvival function of IRE1 in PA treatment of HepG2 cells. The combination of PA and MSeA attenuated the IRE1 pathway and increased the expressions of phospha-eIF2α and GADD153/C/EBP homologous protein (CHOP), contributing to the PA/MSeA combination-induced mitochondria-dependent apoptosis in HepG2 cells. In addition, PA downregulated the expression of the glucose transporter GLUT1 and restricted glucose metabolism, thus promoting the apoptosis of tumor cells. Considering the lipotoxicity of PA, L02 human normal hepatocytes were used to evaluate the effect of MSeA on the lipotoxicity caused by PA. Interestingly, MSeA prevented PA-induced lipotoxicity in L02 cells. Our findings provided evidence that PA may be a promising and excellent sensitizer for improving the anticancer effect of MSeA in hepatoma chemotherapy.Domain classifications are a useful resource for computational analysis of the protein structure, but elements of their composition are often opaque to potential users. We perform a comparative analysis of our classification ECOD against the SCOPe, SCOP2, and CATH domain classifications with respect to their constituent domain boundaries and hierarchal organization. The coverage of these domain classifications with respect to ECOD and to the PDB was assessed by structure and by sequence. We also conducted domain pair analysis to determine broad differences in hierarchy between domains shared by ECOD and other classifications. Finally, we present domains from the major facilitator superfamily (MFS) of transporter proteins and provide evidence that supports their split into domains and for multiple conformations within these families. We find that the ECOD and CATH provide the most extensive structural coverage of the PDB. ECOD and SCOPe have the most consistent domain boundary conditions, whereas CATH and SCOP2 both differ significantly.