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Chemotherapy is one of the most commonly used methods for treating cancer, but its side effects severely limit its application and impair treatment effectiveness. Removing off-target chemotherapy drugs from the serum promptly through adsorption is the most direct approach to minimize their side effects. In this study, we synthesized a series of adsorption materials to remove the chemotherapy drug doxorubicin by modifying MOF nanosheets with sulfonated azocalix[4]arenes. The strong affinity of sulfonated azocalix[4]arenes for doxorubicin results in high adsorption strength (Langmuir adsorption constant = 2.45–5.73 L mg−1) and more complete removal of the drug. The extensive external surface area of the 2D nanosheets facilitates the exposure of a large number of accessible adsorption sites, which capture DOX molecules without internal diffusion, leading to a high adsorption rate (pseudo-second-order rate constant = 0.0058–0.0065 g mg−1 min−1). These adsorbents perform effectively in physiological environments and exhibit low cytotoxicity and good hemocompatibility. These features make them suitable for removing doxorubicin from serum during "drug capture" procedures. The optimal adsorbent can remove 91% of the clinical concentration of doxorubicin within 5 min. [ABSTRACT FROM AUTHOR]

The biorefining of lignocelluloses using microbial degradation methods based on highly efficient microbial strains has received widespread attention. In the present study, a cellulolytic bacterium Serratia marcescens LY1 was isolated and the complete genome sequence of S. marcescens LY1 was assembled into a ring chromosome of 5,171,649 bp and a circle plasmid of 143,701 bp. Functional annotation revealed that a total of 130 genes were annotated in CAZyme families. Secretome sequencing revealed glycoside hydrolase family 3 protein and l -arabinose isomerase, which were annotated. The enzyme activities showed that the endoglucanase, xylanase, laccase, and lignin peroxidase activities peaked on the third day, while exoglucanase, manganese peroxidase, and β-glucosidase peaked on the fourth day. Furthermore, the secretome of S. marcescens LY1 was extracted for bamboo biomass hydrolysis, resulting in the highest yield of released reducing sugars was detected from the third day of secretome culture, with a value of 42.27 ± 0.46 g/L, and the secretomes of the third and fourth days were combined, resulting in the highest reducing sugar quantity of 51.59 ± 1.04 g/L. These findings indicate that the strain S. marcescens LY1 exhibits efficient saccharification of bamboo biomass and has potential use in bamboo biomass bioconversion and energy utilization. [ABSTRACT FROM AUTHOR]

Background: Hypoxia is a major contributor to global kidney diseases. Targeting hypoxia is a promising therapeutic option against both acute kidney injury and chronic kidney disease; however, an effective strategy that can achieve simultaneous targeted kidney hypoxia imaging and therapy has yet to be established. Herein, we fabricated a unique nano-sized hypoxia-sensitive coassembly (Pc/C5A@EVs) via molecular recognition and self-assembly, which is composed of the macrocyclic amphiphile C5A, the commercial dye sulfonated aluminum phthalocyanine (Pc) and mesenchymal stem cell-excreted extracellular vesicles (MSC-EVs). Results: In murine models of unilateral or bilateral ischemia/reperfusion injury, MSC-EVs protected the Pc/C5A complex from immune metabolism, prolonged the circulation time of the complex, and specifically led Pc/C5A to hypoxic kidneys via surface integrin receptor α4β1 and αLβ2, where Pc/C5A released the near-infrared fluorescence of Pc and achieved enhanced hypoxia-sensitive imaging. Meanwhile, the coassembly significantly recovered kidney function by attenuating cell apoptosis, inhibiting the progression of renal fibrosis and reducing tubulointerstitial inflammation. Mechanistically, the Pc/C5A coassembly induced M1-to-M2 macrophage transition by inhibiting the HIF-1α expression in hypoxic renal tubular epithelial cells (TECs) and downstream NF-κB signaling pathway to exert their regenerative effects. Conclusion: This synergetic nanoscale coassembly with great translational potential provides a novel strategy for precise kidney hypoxia diagnosis and efficient kidney injury treatment. Furthermore, our strategy of coassembling exogenous macrocyclic receptors with endogenous cell-derived membranous structures may offer a functional platform to address multiple clinical needs. [ABSTRACT FROM AUTHOR]

The effect of copper (Cu) addition on the microstructure evolution and deformation mechanism of L605 (Co-20Cr-15 W-10Ni) alloy during cold deformation was investigated by using transmission electron microscopy (TEM), X-Ray diffraction (XRD) and electron backscatter diffraction (EBSD) analysis. The results indicated that the addition of Cu slightly decreased the yield strength and ultimate tensile strength, while it significantly increased the elongation. EBSD results revealed that hexagonal close-packed (HCP) martensite was generated during cold deformation and increased with increasing cold deformation level. The deformation microstructure of both alloys at different cold deformation levels shows that the stacking faulting was the primary deformation mechanism at early stage of cold deformation, in contrast, dislocation planar-slip and face-centered cubic (FCC) to HCP martensitic transformation were prevailed at both medium and late cold deformation level. Cu addition significantly suppressed the dislocation and stacking fault multiplication at early deformation stage and delayed the martensitic transformation at medium and late deformation stage, which could be ascribed to the relatively high stacking faulting energy by Cu addition, resulting in the low strain hardening behavior in the entire deformation process. These cumulative results and analyses could provide a solid foundation for the further development of this novel type of biomedical Cu-containing cobalt-based alloy. • The dominated deformation mechanisms for L605 and L605Cu alloys were similar. • No deformation twins were found even at extremely high cold deformation level. • Cu addition suppressed the SF propagation and delayed the martensitic transformation. • The sluggish microstructure evolution for L605Cu was attributed to relatively high SFE by Cu addition. [ABSTRACT FROM AUTHOR]

Intravenous thrombolysis with recombinant tissue plasminogen activator (rtPA) is the primary treatment for ischemic stroke. However, rtPA treatment can substantially increase blood‐brain barrier (BBB) permeability and susceptibility to hemorrhagic transformation. Herein, the mechanism underlying the side effects of rtPA treatment is investigated and demonstrated that ferroptosis plays an important role. The ferroptosis inhibitor, liproxstatin‐1 (Lip) is proposed to alleviate the side effects. A well‐designed macrocyclic carrier, glucose‐modified azocalix[4]arene (GluAC4A), is prepared to deliver Lip to the ischemic site. GluAC4A bound tightly to Lip and markedly improved its solubility. Glucose, modified at the upper rim of GluAC4A, imparts BBB targeting to the drug delivery system owing to the presence of glucose transporter 1 on the BBB surface. The responsiveness of GluAC4A to hypoxia due to the presence of azo groups enabled the targeted release of Lip at the ischemic site. GluAC4A successfully improved drug accumulation in the brain, and Lip@GluAC4A significantly reduced ferroptosis, BBB leakage, and neurological deficits induced by rtPA in vivo. These findings deepen the understanding of the side effects of rtPA treatment and provide a novel strategy for their effective mitigation, which is of great significance for the treatment and prognosis of patients with ischemic stroke. [ABSTRACT FROM AUTHOR]

Recent phylogenetic analysis encompassing multilocus nuclear-gene and matrilineal mtDNA genealogy has revealed a series of cryptic species of the subgenus Panophrys within genus Megophrys from southern and eastern China. This study demonstrates that the Panophrys specimens from the hilly areas among Guangdong, Guangxi and Hunan can be morphologically distinguished from all recognized congeners, thereby providing additional supports for the recognitions of four new species of Panophrys, namely Megophrys (Panophrys) mirabilis Lyu, Wang & Zhao, sp. nov. from northeastern Guangxi, Megophrys (Panophrys) shimentaina Lyu, Liu & Wang, sp. nov. from northern Guangdong, and Megophrys (Panophrys) xiangnanensis Lyu, Zeng & Wang, sp. nov. and Megophrys (Panophrys) yangmingensis Lyu, Zeng & Wang, sp. nov. from southern Hunan. The descriptions of these species take the number of Megophrys species to 101, 46 of which belong to the subgenus Panophrys. [ABSTRACT FROM AUTHOR]

Neosinocalamus affinis, a type of cluster bamboo, is a good candidate feedstock for biomass energy. In this study, we identified 686 genes as members of CAZyme families in the N. affinis transcriptome. These genes included 222 glycoside hydrolases (GHs), 288 glycosyltransferases (GTs), 64 carbohydrate esterases (CEs), 70 auxiliary activities (AAs), 37 carbohydrate binding modules (CBMs) and five polysaccharide lyases (PLs). Expression profile analysis revealed that several CAZyme genes, particularly GT, GH, AA and CE family members, were up‐regulated after insect infestation. Lignocellulose assays showed that the contents of three components, namely, cellulose, hemicellulose and lignin, increased after insect infestation. CAZyme genes were abundant in the N. affinis transcriptome and were involved in herbivory response. These findings could be applied to the protection of bamboo against herbivores, such as the bamboo snout beetle Cyrtotrachelus buqueti, and in the development of low‐cost chemical feedstock from bamboo. [ABSTRACT FROM AUTHOR]

• Thermal annealing (TA) temperature influences the morphology of the electrochromic films. • The effective overpotential can be correlated to thermal annealing (TA) temperature. • TA temperature greatly affects the electrochromic device (ECD) performances. • The optimized ECD exhibits an excellent optical memory capability. The preparation process plays a significant role in manipulating the morphology of organic electrochromic polymer (ECP) films, thus improving the stability of the prepared devices. In this work, the influence of thermal annealing (TA) temperatures on ECP films has been systematically investigated. The relationship between the TA temperature and the effective overpotential was determined. It was found that the TA temperature is critical for achieving the desired morphology of ECP film. At the optimized TA temperature of 180 °C, electrochromic devices (ECDs) with excellent reversibility were obtained. The response speed of the solid-state device with optimized TA temperature was more than two times faster than the unoptimized one. The coloring efficiency was also significantly enhanced, reaching the value of 374 cm2/C. Notably, the ECD based on the optimal TA temperature also showed surprisingly excellent stability, maintaining its bleaching state for almost two weeks with only a slight deterioration in the visible state. [ABSTRACT FROM AUTHOR]

Bioconversion lignocellulosic biomass (LCB) to 2,3-butanediol (2,3-BDO) is a sustainable and energy-intensive practice, but its economic feasibility has been hindered by costly pretreatment and the cumbersome fermentation process. Herein, the hindgut metagenome of Cyrtotrachelus buqueti is assembled and sequenced to construct bacterial consortia for efficient LCB degradation. One of these consortia, named artificial synthetic bacteria community II (ASCII), is effective in degrading unpretreated LCB, achieving degradation rates of 85.33% for cellulose, 77.43% for hemicellulose, and 57.63% for lignin. The secretory protein extracted from ASCII is used for simultaneous saccharification and fermentation (SSF) from unpretreated LCB. Furthermore, fed-batch SSF resulted in 40.62 g/L of 2,3-BDO with a productivity of 0.42 g/L/h reached by Klebsiella sp. CQHG35. This study provides a new approach for the construction of bacterial consortia and their use in SSF for the production of 2,3-BDO from unpretreated LCB, representing a significant breakthrough in this field. [Display omitted] [ABSTRACT FROM AUTHOR]

Insects and gut symbiotic bacteria have shown promise in the degradation of lignocellulosic biomass (LCB). Cyrtotrachelus buqueti is being studied as a resource for LCB degradation, but its mechanisms are not fully understood. This study investigates the host transcriptome and gut microbiome to identify the inherent mechanisms behind efficient LCB degradation. The gut secretory protein showed degradation rates of 30.23%− 38.24% for cellulose, 58.56%− 70.96% for hemicellulose, and 28.71%− 43.43% for lignin, while microbiota had degradation rates of 28.41%− 38.31% for cellulose, 53.45%− 66.15% for hemicellulose, and 25.65%− 38.37% for lignin. Core genera (>80%) of bacteria are identified in the foregut, midgut, and hindgut, with the hindgut containing the most abundant lignin degradation potential genera Serratia and Dysgonomonas , and the midgut has the highest abundance of cellulose and hemicellulose degradation likely genera Lactococcus and Enterococcus. The transcriptome reveals highly abundant and diversified lignocellulolytic genes encoding carbohydrate-active enzymes (CAZymes), with lignin-modifying enzyme genes highly expressed in the hindgut and cellulase and hemicellulase genes highly expressed in the foregut and midgut. Integrative analysis reveals a significant correlation between the gut microbiome and transcriptome, contributing to efficient LCB degradation. This study first provides a deeply comprehensive insight into the unique mechanisms of LCB degradation by C. buqueti. [Display omitted] • Lignocellulose was effectively degraded by the gut secretory protein and microbiota. • Microbiome and transcriptome analysis identified the core microbiota and CAZymes. • Microbiome and transcriptome intensely correlated revealed by integrative analysis. • Revealed the mechanism for lignocellulose degradation by bamboo snout beetle. [ABSTRACT FROM AUTHOR]

Poly(3-hydroxybutyrate- co -3-hydroxyvalerate) (PHBV) is a biopolyester with great potential, but its high production cost via the propionate-dependent pathway has hindered its development. Herein, we engineer Halomonas sp. Y3 to achieve efficient conversion of various LDCs into PHBV without propionate supplement. Initially, we successfully achieve PHBV production without propionate supplement by overexpressing threonine synthesis. The resulting biopolyester exhibits a 3 HV proportion of up to 7.89 mol%, comparable to commercial PHBV (8 mol%) available from Sigma Aldrich (403105). To further enhance PHBV production, we rationally design the reconstruction of aromatic compound catabolism. The engineered strain Y3_18 efficiently assimilates all LDCs containing syringyl (S), guaiacyl (G), and p -hydroxyphenyl-type (H) units. From 1 g/L of S-, G-, and H-type LDCs, Y3_18 produces PHBV at levels of 449 mg/L, 488 mg/L, and 716 mg/L, respectively, with yields of 44.9 % (g/g), 48.8 % (g/g), and 71.6 % (g/g). Moreover, to improve PHBV yield from lignin, we integrate laccase-secretion and PHBV production modules. This integration leads to the accumulation of 425.84 mg/L of PHBV with a yield of 21.29 % (g/g) and a 3 HV proportion of 6.38 mol%. By harnessing the capabilities of Halomonas sp. Y3, we demonstrate an efficient and sustainable approach for PHBV production from a variety of LDCs. • PHBV production from LDCs by Halomonas sp. Y3 via the propionate-dependent pathway • Knockout PrpC enabled PHBV production from LDCs without propionate supplementation. • Overexpressing threonine synthesis pathway improved PHBV production from LDCs. • Engineering aromatic compound catabolism improving PHBV content and 3 HV proportion • Co-transformation of Y3_05 and Y3_18 produced 426 mg/L of PHBV from lignin. [ABSTRACT FROM AUTHOR]

Chamaelirium shimentaiense (Melanthiaceae), a new species from Shimentai Nature Reserve, Guangdong Province, China is described. This species is similar to C. shiwandashanense and C. viridiflorum in having actinomorphic flowers with six tepals and unilocular anthers, but is easily distinguished from them by its strongly undulate leaf blades with crispulate margins and inconspicuous venation, purplish tepals with a slightly broadened and obtuse apex, and purple‐tinged filaments. The infrageneric assignment of this species is discussed and a color plate is provided. [ABSTRACT FROM AUTHOR]

Abstract: A new small‐molecule acceptor (2,9‐bis(2‐methylene‐(3(1,1‐dicyanomethylene)benz[f]indanone))7,12‐dihydro‐(4,4,10,10‐tetrakis(4‐hexylphenyl)‐5,11‐diocthylthieno[3′,2′:4,5]cyclopenta[1,2‐b]thieno[2″,3″:3′,4′]cyclopenta[1′,2′:4,5]thieno[2,3‐f][1]benzothiophene) (NNBDT) based on naphthyl‐fused indanone ending units is reported. This molecule shows a narrow optical bandgap of 1.43 eV and effective absorption in the range of 700–870 nm. The devices based on poly[(2,6‐(4,8‐bis(5‐(2‐ethylhexyl)thiophen‐2‐yl)‐benzo[1,2‐b:4,5‐b′]dithiophene))‐alt‐(5,5‐(1′,3′‐di‐2‐thienyl‐5′,7′‐bis(2‐ethylhexyl)benzo[1′,2′‐c:4′,5′‐c′]dithiophene‐4,8‐dione))] (PBDB‐T):NNBDT yield a power conversion efficiency of 11.7% with a low energy loss of 0.55 eV and a high fill factor (FF) of 71.7%. Another acceptor (2,9‐bis(2‐methylene‐(3(1,1‐dicyanomethylene)benz[f]indanone))7,12‐dihydro‐4,4,7,7,12,12‐hexaoctyl‐4H‐cyclopenta[2″,1″:5,6;3″,4″:5′,6′]diindeno[1,2‐b:1′,2′‐b′]dithiophene (FDNCTF) is introduced as the third component to fabricate ternary devices. The two acceptors (NNBDT and FDNCTF) possess complementary absorption, same molecular orientation, and well‐miscible behavior. It is found that there exists a nonradiative energy transfer process from FDNCTF to NNBDT. The fullerene‐free ternary cells based on PBDB‐T:NNBDT:FDNCTF achieve a high efficiency of 12.8% with an improved short circuit current near 20 mA cm−2 in contrast to the binary devices. The result represents the best performance for fullerene‐free ternary solar cells reported to date and highlights the potential of ternary solar cells. [ABSTRACT FROM AUTHOR]

This work highlights to develop an in-situ process to disperse uniformly graphene possessing good interfacial bonds with the matrix of Mg alloy. A homogeneous distribution of graphene in the matrix has been successfully obtained through in-situ reduction of graphene oxide (RGO) by sintering process after the graphene oxide (GO) was uniformly dispersed in AZ91 powders. The interface product nano-sized MgO can significantly improve the interfacial bonding strength between RGO and α-Mg with analysis by transmission electron microscopy. The orientation relationships of 2 ¯ 00 MgO / / 1 ¯ 10 2 ¯ α ‐ Mg and 011 MgO / / 2 4 ¯ 2 3 ¯ α ‐ Mg with the semi-coherent interface characteristics were clarified for the first time at the interface of MgO/α-Mg, suggesting a good lattice space matching. By employing such process, a composite containing 0.5 wt% of GO shows an 85.7% and 61.4% increase in yield strength and elongation, respectively, over unreinforced AZ91 alloy. The underlying strengthening mechanisms of in-situ reduced graphene oxide are discussed in detail. [ABSTRACT FROM AUTHOR]

Graphene nanosheets (GNS) are the promising nano-reinforcements to fabricate bulk graphene-metal composites due to their excellent mechanical properties and large yield. However, the effective synthesis of such bulk graphene reinforced magnesium (Mg) composites remains challenging because of the poor interfacial bonding and the aggregation of GNS. Here, GNS possessing about 12 at. % residual oxygen (∼7:1 C/O ratio) was synthesized by a thermal reduction method. These residual oxygen in GNS is beneficial to increase the interfacial bonding between GNS and the matrix of α-Mg by MgO nanoparticles, which synthesized through the occurrence of a reaction between the residual oxygen and α-Mg in the composites. TEM analysis reveals that the in-situ synthesized MgO nanoparticles can significantly improve the interfacial bonding between GNS and α-Mg owing to the formation of semi-coherent interface of MgO/α-Mg and the distortion area bonding interface of GNS/MgO. By filling 0.5 wt. % of GNS, the yield strength and elongation of the composite increased by 76.2% and 24.3%, respectively as compared to the matrix alloy. The significant improvement in mechanical properties of the composites is mainly due to the grain refinement, strong interfacial bonding and dislocation strengthening. [ABSTRACT FROM AUTHOR]

It has been paid much attention to improve the helical twisting power (β) of dopants in chiral nematic liquid crystals (CLCs); however, the correlations between the β value and the molecular structures as well as the interaction with nematic LCs are far from clear. In this work, a series of reversibly photo-switchable axially chiral dopants with different lengths of alkyl or alkoxyl substituent groups have been successfully synthesized through nucleophilic substitution and the thiol-ene click reaction. Then, the effect of miscibility between these dopants and nematic LCs on the β values, as well as the time-dependent decay/growth of the β values upon irradiations, has been investigated. The theoretical Teas solubility parameter shows that the miscibility between dopants and nematic LCs decreases with increasing of the length of substituent groups from dopant 1 to dopant 4. The β value of chiral dopants in nematic LCs decreases from dopant1 to dopant 4 both at the visible light photostationary state (PSS) and at the UV PSS after UV irradiation. With increasing of the length of substituent groups, the photoisomerization rate constant of dopants increases for trans-cis transformation upon UV irradiation and decreases for the reverse process upon visible light irradiation either in isotropic ethyl acetate or in anisotropic LCs, although the constant in ethyl acetate is several times larger than the corresponding value in LCs. Also, the color of the CLCs could be tuned upon light irradiations. These results enable the precise tuning of the pitch and selective reflection wavelength/color of CLCs, which paves the way to the applications in electro-optic devices, information storage, high-tech anticounterfeit, and so forth. [ABSTRACT FROM AUTHOR]

Compared to metal oxide nanoparticles, small-molecule electron transport materials (SM-ETMs) possess accurate molecular weight, definitive chemical structure, good environmental stability and excellent batch-to-batch consistency in mass synthesis. Employing SM-ETMs for QLEDs, as does in commercialized OLEDs, demonstrates huge potentials for compatibility with current OLED fabrication process. To explore the feasibility of all organic transport materials for QLEDs, two phosphine oxides were selected in pair with three classical polymer hole transport materials (HTMs). Initially, the charge imbalance between the SM-ETM and polymeric HTM obstructed the device to achieve its best performance. To overcome this issue, the cross-linking strategy was introduced for HTMs and four cross-linkers were synthesized. Among them, the X4 cross-linked with TFB as the HTM, in combination with the TP3PO as the ETM, provided the best performance, with an EQE of approaching 11% (11.4 lm W−1, 15.5 cd A−1). Detailed investigations revealed that the TP3PO and TFB:X4 based QLED had a more balanced charge transport as anticipated. The present work indicates the potential of all organic materials for constructing high-performance QLEDs, pointing a new direction to further boost QLED performance. [Display omitted] • Two organic phosphine oxides were selected as electron transport layer in QLED. • By introducing cross-linking strategy for organic hole transport layers, the charge transport balance of QLEDs can be finely tuned. • The cross-linked TFB in combination TP3PO provided a best QLED performance with an EQE of nearly 11%. [ABSTRACT FROM AUTHOR]

Polyhydroxybutyrate (PHB) production from lignocellulosic biomass is challenging due to the need for whole components and energy-effective conversion. Herein, Halomonas sp. Y3, a ligninolytic bacterium with the capacity to produce PHB from lignin and cellulose- and hemicellulose-derived sugars, is employed to explore its feasibility. This strain shows high sugar tolerance up to 200 g/L of glucose and 120 g/L of xylose. A dual anti-microbial contamination system (DACS) containing alkali-halophilic system (AHS) and phosphite-urea system (PUS) is presented, successfully achieving a completely aseptic effect and resulting in a total of 8.2 g of PHB production from 100 g bamboo biomass. We further develop a stage-fed-batch fermentation to promote the complete utilization of xylose. Approximately 69.99 g of dry cell weight (DCW) and 46.45 g of PHB with 66.35 % are obtained from a total of 296.58 g of sugars and 5.70 g of lignin, showing a significant advancement for LCB bioconversion. We then delete the native phosphate transporters, rendering the strain unable to grow on phosphate-loaded media, effectively improving the strain biosafety without compromising its ability to produce PHB. Overall, our findings demonstrate the potential of Y3 as a classic bacterium strain for PHB production with potential uses in industry. [Display omitted] • Halomonas sp. Y3 demonstrated high efficiency in converting whole LCB into PHB. • Non-sterilized PHB production by Y3 via a dual antimicrobial contamination system • PHB of 46.45 g was synthesized via non-sterilized stage-fed-batch fermentation of LCB. • Deletion of the native Pi transporters improved the biosafety of strain Y3. [ABSTRACT FROM AUTHOR]

Progresses in understanding climate variation and its ecosystem responses and feedback in Central Asia have been limited by availability of high resolution and quality climate data. To ease this limitation, the Weather Research and Forecasting (WRF) model is implemented in Central Asia in this study after repeated yearly sensitivity evaluations. The optimized WRF is used to downscale the ERA-Interim reanalysis data, producing a new regional dataset of 20 × 20 km spatial resolution covering 1980-2015. The downscaled precipitation and daily maximum and minimum temperatures of seven years from 1980-1986, when the observational data are the most abundant, are compared in statistical measures to station observations and also contrasted with the comparison results between the ERA-Interim data and the observations. Results of those comparisons show that the downscaled data have overall comparable accuracy in precipitation and daily extreme temperatures to the ERA-Interim data. An outstanding improvement of the downscaled data is in their describing the variance in precipitation and temperatures at daily to annual timescales, while the downscaled extreme precipitation and temperature events also show more accurate comparisons to the observed at some sub-regions in Central Asia. The validated WRF model, which can be used to further downscale past as well as future climate data for specific research needs, and the downscaled high resolution and quality data present both a tool and a useful dataset for ecological and detailed climate research in Central Asia. [ABSTRACT FROM AUTHOR]

Objective: To determine the efficacy of serum levels of cancer antigen 125 (CA125) and cancer antigen 19-9 (CA19-9), and the neutrophil-to-lymphocyte ratio (NLR) for diagnosis of mature cystic teratoma (MCT) with torsion.Methods: A retrospective medical record review was conducted of data for women who had undergone surgery for ovarian MCT at the First Affiliated Hospital of Wenzhou Medical University, China, between January 1, 2008, and January 1, 2015. Patients with torsion and a control group who underwent surgery on the same days were identified. Clinical characteristics and the serum levels of CA125, CA19-9, and the NLR were assessed.Results: The serum levels of CA125, CA19-9, and the NLR were higher in the torsion group (n=68) than in the control group (n=120; P≤0.001 for all). Receiver operating characteristic analysis indicated that the area under the curve for the combined use of CA125, CA19-9, and NLR was 0.978 (95% confidence interval 0.954-1.000; P<0.001). This combination had a diagnostic sensitivity of 93.9% and a specificity of 98.3%. Moreover, levels of these inflammatory markers were significantly increased among patients with large tumor diameters (P<0.01 for all).Conclusion: The combined measurement of CA125, CA19-9, and the NLR provided an efficient method for the diagnosis of MCT with torsion. [ABSTRACT FROM AUTHOR]

A new kind of SO42-/TiO2/ZSM-5 catalysts were prepared by the sequential TiO2-CLD and sulfation of commercial HZSM-5 zeolite. Characterization results revealed that the external surface of ZSM-5 crystallite was wrapped by SO42-/TiO2 phase; at the same time, the unique MFI-structure and pore properties were well preserved, and the new L acid sites were generated on the external surface. The surface SO42-/TiO2 phase promoted the paraffin saturation adsorption by 8%, and significantly enhanced the diffusion process in the ZSM-5 based catalysts. Compared to the parent HZSM-5 zeolite, a significant promotion of catalytic activity in n-pentane cracking was observed over the SO42-/TiO2/ZSM-5 catalysts, which was probably due to the enhancement of sorption process for the gas-phase n-pentane molecules into HZSM-5 crystallite caused by the surface SO42-/TiO2 phase. Moreover, the SO42-/TiO2/ZSM-5 catalysts with a suitable TiO2-loading exhibited excellent catalytic stability and coke-resistance ability in normal-paraffin cracking. A possible role of the surface SO42-/TiO2 phase in coke formation was proposed that it effectively hindered the routes from olefins to aromatic hydrocarbons, and thus restrained the accumulation of coke deposit on the external surface. [ABSTRACT FROM AUTHOR]

Objective: The purpose of this systematic review and meta-analysis of randomized controlled trials (RCTs) and non-RCTs was to gather data to evaluate the efficacy and safety of tranexamic acid (TXA) versus placebo after a scoliosis surgery.Methods: The electronic databases including Embase, PubMed, CENTRAL (Cochrane Controlled Trials Register), Web of Science, and Google database were searched to identify relevant studies published from the time of the establishment of these databases up to May 2016. This systematic review and meta-analysis was performed according to the PRISMA statement criteria. The primary outcomes were total blood loss, intraoperative blood loss, and hemoglobin after surgery. The second outcome is need for transfusion. Stata 12.0 software was used for the meta-analysis. After testing for publication bias and heterogeneity across studies, data were aggregated for random-effects modeling when necessary.Results: A total of 685 patients (347 patients in the TXA group and 338 in the control group) were finally included for this meta-analysis. The pooled results revealed that administration of TXA can decrease the total blood loss after scoliosis surgery [mean difference (MD) = 682.30, 95% confidence interval (CI) -930.60 to -434.00; P = 0.000] and intraoperative blood loss [(MD) = -535.28; 95% CI -683.74 to -368.82; P = 0.000]. For the hemoglobin (Hb) value after scoliosis surgery, TXA can decrease the Hb value for 0.51 dL [(MD) = 0.51; 95% CI 0.25-0.78; P = 0.000]. There is no statistically significant difference between the TXA versus placebo in terms of the need for transfusion (relative risk = 0.55, 95% CI 0.25-1.20, P = 0.132).Conclusion: Based on the current meta-analysis, TXA can decrease the total blood loss and intraoperative blood loss during scoliosis surgery. It is recommended that it be routinely used in scoliosis surgery. High-dose TXA (>20 mg/kg) is more effective than low-dose TXA (<20 mg/kg) in controlling blood loss. However, for the need for transfusion, more high-quality RCTs need to be identified. [ABSTRACT FROM AUTHOR]

[Display omitted] • Halomonas sp. Y3 secreted laccase through Tat and Type I secretion system. • Biodesign of a highly efficient laccase secretion apparatus. • Heterologous expression of laccase achieved enzyme activity of 184 U/mL. • Up to 55 % lignin was degraded by the engineered strain Y3_05. • Co-transformation of Y3_05 and Y3_08 produced 740 and 1314 mg/L from lignin and APL. Lignin degradation represents a significant challenge in biological valorization, but it is suffering from insufficiency, putting barriers to efficient lignin conversion. Herein, the study first develops a highly efficient laccase secretion apparatus, enabling high enzyme activity of 184 U/mL, complementing the biochemical limits on lignin depolymerization well in Halomonas sp. Y3. Further engineering of PHA biosynthesis produces a significantly high PHA titer of 286, 742, and 868 mg/L from alkaline lignin, catechol, and protocatechuate, respectively. The integration of laccase-secretion and PHA production modules enables a record titer of 693 and 1209 mg/L in converting lignin and lignin-containing stream to PHA, respectively. The titer is improved furtherly to 740 and 1314 mg/L by developing a non-sterilized fermentation. This study advances a cheaper and greener production of valuable chemicals from lignin by constructing a biosynthetic platform for PHA production and provides novel insight into the lignin conversion by extremophilic microbes. [ABSTRACT FROM AUTHOR]

Background: As the most lethal gynecologic cancer, ovarian cancer (OV) holds the potential of being immunotherapy-responsive. However, only modest therapeutic effects have been achieved by immunotherapies such as immune checkpoint blockade. This study aims to propose a generalized stroma-immune prognostic signature (SIPS) to identify OV patients who may benefit from immunotherapy. Methods: The 2097 OV patients included in the study were significant with high-grade serous ovarian cancer in the III/IV stage. The 470 immune-related signatures were collected and analyzed by the Cox regression and Lasso algorithm to generalize a credible SIPS. Correlations between the SIPS signature and tumor microenvironment were further analyzed. The critical immunosuppressive role of stroma indicated by the SIPS was further validated by targeting the major suppressive stroma component (CAFs, Cancer-associated fibroblasts) in vitro and in vivo. With four machine-learning methods predicting tumor immune subtypes, the stroma-immune signature was upgraded to a 23-gene signature. Results: The SIPS effectively discriminated the high-risk individuals in the training and validating cohorts, where the high SIPS succeeded in predicting worse survival in several immunotherapy cohorts. The SIPS signature was positively correlated with stroma components, especially CAFs and immunosuppressive cells in the tumor microenvironment, indicating the critical suppressive stroma-immune network. The combination of CAFs' marker PDGFRB inhibitors and frontline PARP inhibitors substantially inhibited tumor growth and promoted the survival of OV-bearing mice. The stroma-immune signature was upgraded to a 23-gene signature to improve clinical utility. Several drug types that suppress stroma-immune signatures, such as EGFR inhibitors, could be candidates for potential immunotherapeutic combinations in ovarian cancer. Conclusions: The stroma-immune signature could efficiently predict the immunotherapeutic sensitivity of OV patients. Immunotherapy and auxiliary drugs targeting stroma could enhance immunotherapeutic efficacy in ovarian cancer. [ABSTRACT FROM AUTHOR]

A nickel-catalyzed, efficient C–N bond reduction of aromatic and benzylic ammonium triflates has been developed using sodium isopropoxide as a reducing agent. The high efficiency, mild conditions, and good compatibility with various substituents made this method an effective supplement to the current catalytic hydrogenation reactions. Combining this reductive deamination reaction with directed aromatic functionalization reactions, a powerful strategy for regioselective functionalization of arenes was demonstrated using dialkylamine groups as traceless directing groups. [ABSTRACT FROM AUTHOR]

TLR2 signaling is related to colitis and involved in regulation of innate immunity in the intestinal tract, but the mechanisms remain unclear. The aim of this study is to investigate how TLR2 affects differentiation of intraepithelial lymphocytes (IELs) and regulates the susceptibility of colitis. IELs were isolated from the small intestine and colon of mice, respectively. The IEL phenotype, activation, and apoptosis were examined using flow cytometry and RT-PCR. IL-15 expression and IEL location were detected through immunohistochemistry. The experimental colitis was induced by administration of dextran sulfate sodium (DSS). We found that the numbers of CD8αα+, CD8αβ+, and TCRγδ+ IELs were significantly decreased in TLR2-deficient mice and the residual IELs displayed reduced activation and proliferation and increased apoptosis, accompanied with impaired IL-15 expression by intestinal epithelial cells (IECs). Further study showed that TLR2 signaling maintained the expression of IL-15 in IEC via NF-κB activation. Moreover, TLR2-deficient mice were found to be more susceptible to DSS-induced colitis as shown by the increased severity of colitis. Our results demonstrate that IECs contribute to the maintenance of IELs at least partly via TLR2-dependent IL-15 production, which provides a clue that may link IECs to innate immune protection of the host via IELs. [ABSTRACT FROM AUTHOR]

Background Systemic inflammation and host immunological nutritional status play important roles in the tumorigenesis of malignant cancer. A novel prognostic inflammation score (PIS) based on preoperative serum albumin and neutrophil to lymphocyte ratio (NLR) was designed. We explored its prognostic value in ovarian cancer. Methods 143 patients with ovarian cancer were enrolled in this retrospective study. The association of the PIS with clinicopathologic parameters was analyzed. The prognostic significance was determined by univariate and multivariate cox survival analyses. Results Both univariate and multivariate analyses showed that NLR and albumin were independent prognostic factors for overall survival (OS) and progression-free survival (PFS). An inverse correlation was observed between the NLR and serum albumin concentration. The novel prognostic inflammation score (PIS) was shown to be a significant predictor for OS and PFS (both P < 0.001) according to multivariate analysis. Additionally, low PIS was associated with advanced tumor stage (P < 0.001), metastasis (P < 0.001) and preoperative high PLR (P < 0.001). Conclusions The PIS is a novel but promising prognostic score in ovarian cancer. It is a significant prognostic marker adjusted for clinicopathologic characteristics to further identify patients' survival differences. [ABSTRACT FROM AUTHOR]

BiOBr ultrathin nanocrystals were prepared by a rapid, simple and low-cost route, and characterised by X-ray diffraction, scanning electron microscope, transmission electron microscopy, energy dispersive X-ray, UV–vis diffuse reflectance spectroscopy and electrochemical impedance spectroscopy analyses. The size of the resulting BiOBr ultrathin nanocrystals is about 60–100 nm in width and 15–20 nm in thickness. The photocatalytic activity of the samples was evaluated in terms of the degradation of RhB. Compared with BiOBr three-dimensional microspheres and P25-TiO2, the BiOBr ultrathin nanocrystals exhibited the best visible-light-induced photocatalytic activity. [ABSTRACT FROM PUBLISHER]

Background: The escalating global epidemic of obesity is of worldwide concern because of its association with serious negative effects on health. The technical difficulty of rectal cancer surgery is exacerbated in obese patients, which may compromise outcomes. High-quality, relevant evidence is limited. This meta-analysis aims to assess the outcomes of rectal cancer surgery in obese and nonobese patients. Methods: The electronic databases Pubmed, Medline, Embase, Web of Science, and the Cochrane Library were used to search for articles that evaluated the outcomes of rectal cancer surgery in obese and nonobese patients. Fixed-effects and random-effects models were used to calculate the combined overall effect sizes of pooled data. Data are presented as odds ratios (OR) or weighted mean differences (WMD) with 95% confidence intervals (CIs). Results: Ten appropriate observational studies were identified from 290 published articles. In the obese group, conversion rates (OR 2.78; 95% CI 1.67-4.61), overall morbidity (OR 1.36; 95% CI 1.25-1.47), anastomotic leak (OR 3.94; 95% CI 1.88-8.24), wound infection (OR 2.22; 95% CI 1.47, 3.36), and pulmonary events (OR 2.10; 95% CI 1.18, 3.74) were all significantly increased. For pathological results, no statistical differences in the number of harvested lymph nodes and the positive margin were noted between the two groups. Conclusions: Based on a meta-analysis, obesity increases the conversion rate and postoperative morbidity of rectal cancer surgery but does not influence pathological results. [ABSTRACT FROM AUTHOR]

Carbon nanotubes (CNTs) are novel reinforcement of Mg-based composites because of their attractive mechanical properties. However, in general, nanosize CNTs did not completely impart their exceptional properties to the Mg matrix because of the poor interfacial bonding between CNTs and the matrix and the aggregation of CNTs, which largely limit their applications in Mg-based composites. In this study, a novel method was developed to increase the interfacial bonding strength by coating magnesium oxide (MgO) nanoparticles on the surface of CNTs. The detailed crystallographic analysis by transmission electron microscopy (TEM) confirmed that two types of bonds were formed at the CNTs/MgO interface: nanoscale-contact bonds and diffused interfacial bonds. Moreover, for the first time, the orientation relationships of ( 1 1 ¯ 1 ) M g O / / ( 01 1 ¯ 1 ) α − M g and [ 011 ] M g O / / [ 2 1 ¯ 1 ¯ 0 ] α − M g with the semicoherent interface characteristics were observed between MgO and the matrix of α-Mg. The interatomic spacing misfit at the MgO/α-Mg interface is 6.5%, which indicates a good lattice space matching between MgO and the matrix of α-Mg. The yield strength and elongation of AZ91-3.0MgO@CNT composite were enhanced by 69.0% and 22.9%, respectively, when compared with the AZ91 alloy. The mechanism of strengthening of AZ91 alloy composites reinforced by MgO@CNTs was discussed in detail. [ABSTRACT FROM AUTHOR]

A series of polypeptides bearing biphenyl mesogenic side-chains and oligo-ethylene-glycol (OEG) tails (PPLG- g-BPOEG, n = 26 and 63, m = 2, 3, and 7) has been synthesized via a 1,3-dipolar cycloaddition with quantitative grafting density. FTIR results revealed that the polypeptides adopted highly stable α-helix in the temperature range of 25-200 °C. DSC, POM and WAXS analysis revealed that PPLG- g-BPOEG ( m ≤ 3) samples with short OEG tail length showed two main phase transitions including crystal to liquid crystalline (smectic C, SmC) phase transition and the melting transition of crystalline E-phase, while PPLG- g-BPOEG with longer OEG tail length ( m = 7) exhibited the melting transitions without the formation of liquid crystalline phase. [ABSTRACT FROM AUTHOR]

Solution‐processed quantum‐dot light‐emitting diodes (QLEDs) have achieved huge successes in terms of both efficiency and stability. However, the polymeric hole transport materials (HTMs) utilized in QLEDs, to some degree, cause severe damages to performance consistency due to their intrinsic batch‐to‐batch problems. Thus, adopting small‐molecule HTMs with definitive chemical structures and molecular weight is a plausible way to solve this issue. In this work, a new solution‐processable small‐molecule (SM)‐HTM (FLCZ) is designed and synthesized, through elaborately modifying the widely used 4,4′‐bis(carbazole‐9‐yl)‐biphenyl via manipulating dipole moments, for solution‐processed QLEDs to replace polymeric HTMs. The FLCZ‐based QLED has achieved an external quantum efficiency (EQE) of 14.63% (18.74 lm W−1, 20.01 cd A−1), approaching that of polymer HTMs‐based QLEDs. In addition, the large surface energy of 45.29 mN m−1 is also observed on the film of FLCZ, which is highly desirable for inkjet‐printed (IJP) QLED devices, results in the IJP fabricated QLED with an EQE of 10.69%. To the best of knowledge, the results of this work represent the highest device performance of conventional solution‐processed QLED based on a single SM‐HTM. [ABSTRACT FROM AUTHOR]

[Display omitted] • Linear cross-linkers were synthesized for photothermally cured hole transport layer. • The cross-linked HTL enhanced the hole transport ability and better charge balance. • A highest EQE of 16.77% was achieved in the cross-linked TFB:BPO6 based red QLED. • From the EQE at peak to 20000 cd m−2, an ultralow deviation of 1.73% was observed. In quantum-dot light-emitting diodes (QLEDs), poly[(9,9-dioctylfluorenyl-2,7-diyl)-alt(4,4′-(N -(4-butylphenyl))] (TFB) has been one of the most widely used hole-transport layer (HTL) materials. However, for solution-processed especially ink-jet printed QLEDs, TFB normally suffers from low glass-transition temperature and inter-layer erosions hindering to achieve both high device efficiency and stability. In the present work, three novel linear bis-benzophenone cross-linkers (BPO4, BPO6 and BPO8) were carefully designed and synthesized for constructing compact HTL with ∼ 100 % solvent resistance. Under a mild photothermal curing condition of 120 °C and 365 nm UV with a power of 16 mW cm−2, the introduction of these cross-linkers into TFB film, even at a low weight concentration of 3.33 %, not only resulted in the HTL with reduced free film volumes and hence compact three-dimensional networks in QLEDs, but also enhanced the hole transport ability, so that better charge balance in QDs layer and improved overall QLED performance could be achieved. In the BPO series which have varying alky lengths, the BPO6 with a medium central alkyl length showed the best thin film state, and thus enabled to improve the QLED device performance with the highest EQE of 16.77 % (20.22 lm W−1, 22.72 cd A-1), which is 20% higher than that of pristine TFB based device. From the peak EQE to the EQE at 20000 cd m−2, an ultra-low deviation of 1.73 % was observed in the TFB:BPO6 based red QLEDs. The T 50 lifetime of TFB:BPO6 based QLEDs is almost twice of that of the pristine TFB based device. Our strategy demonstrates that developing linear cross-linkers for polymer HTL can facilitate forming compact and dense HTL, achieving simultaneous improvements in QLEDs device efficiency and stability. [ABSTRACT FROM AUTHOR]

Background: Astragalus and Panax notoginseng are traditional Chinese Medicines used for the treatments of ischemic cerebrovascular disease, being often combined together in China and achieving a good effect. Objective: The objective of this study is to investigate the effects of astragaloside-IV (AST-IV) (the effective component of Astragalus) combined with ginsenoside Rg1, ginsenoside Rb1, notoginsenoside R1 (the effective components of P. notoginseng) on oxidative stress injury after cerebral ischemia-reperfusion in mice, and to explore the mechanisms through nuclear factor-erythroid 2-related factor-2/heme oxygenase-1 (Nrf2/HO-1) signaling pathway. Materials and Methods: C57BL/6 mice were randomly grouped after treated for 3 days, the model of cerebral ischemia-reperfusion injury was established, and the brain tissues were detected. Results: AST-IV combined with ginsenoside Rg1, ginsenoside Rb1, notoginsenoside R1 could increase significantly the survival rate of nerve cell; decrease the contents of malondialdehyde, nitric oxide, increase the activity of superoxide dismutase and the level of glutathione; Nrf2 was down-regulated in the cytoplasm while up-regulated in nucleus, nuclear translocation rate raised as well as HO-1 messenger ribonucleic acid and protein expressions increased. The effects of four active components combination were better than those of the active components alone. Conclusion: Active components of Astragalus and P. notoginseng had the effects against cerebral ischemia-reperfusion injury, which were related to the antioxidative stress after cerebral ischemia-reperfusion. AST-IV combined with ginsenoside Rg1, ginsenoside Rb1, notoginsenoside R1 could strengthen the antagonism effects on ischemia-reperfusion and oxidative stress injury, the mechanism underlying might be associated with jointly activating Nrf2/HO-1 signaling pathway after cerebral ischemia-reperfusion. [ABSTRACT FROM AUTHOR]

Background. Psoriasis is a chronic immune-mediated skin disease requiring long-term management. However, for various reasons such as financial issues, treatment cessation is common among psoriasis patients who have achieved clinical remission. Currently, only few studies have assessed the time to relapse after guselkumab withdrawal in the real-world setting. Objective. The study aimed at assessing the time to relapse after remission following guselkumab discontinuation in patients with moderate-to-severe plaque psoriasis in the real-world setting. Materials and Methods. Eligible adult moderate-to-severe plaque psoriasis patients received at least 2 doses of administration of guselkumab treatment between March 2020 and March 2022 were enrolled. The study included patients who achieved PASI < 3 at week 12. Relapse was defined as restart of systemic therapy upon guselkumab withdrawal. Time to relapse was defined as the time interval between the last guselkumab administration and restart of systemic therapy. Results. Totally, 76 patients were enrolled. Relapse was found in 60.5% of patients, with a median PASI score at relapse of 4.6 (IQR: 1.6, 8.4) and median time to relapse was 201 (IQR: 159, 314) days. The proportion of patients with comorbidities significantly differed between the relapse and nonrelapse groups at baseline (P < 0.05). Compared with patients with PASI < 3, those with PASI ≥ 3 at relapse had longer time to relapse (P < 0.001). Conclusions. Guselkumab provides durable maintenance of response after discontinuation of therapy in the real-world setting. Higher PASI score at relapse was associated with longer time to relapse. This trial is registered with Chinese Clinical Trial Registry: ChiCTR2000041398. [ABSTRACT FROM AUTHOR]

T-cell large granular lymphocytic leukemia (T-LGLL) is a rare lymphoproliferative disorder and can cooccur in the context of pure red cell aplasia (PRCA). The aim of the current study was to analyze the signal transducer and activator of transcription 3 (STAT3) mutation status and its clinical significance in T-LGLL. We found STAT3 mutations in 21.4% of patients with T-LGLL. High β2-MG (β2-microglobulin) levels (P = 0.005), neutropenia (P = 0.018) and PRCA (P = 0.001) all displayed a significant association with STAT3 mutations. In univariate analysis, treatment-free survival (TFS) was affected by STAT3 mutation status (P = 0.008) and β2-MG (P = 0.006). Our results demonstrate the remarkable correlation of STAT3 mutation with PRCA, neutropenia and β2-MG. [ABSTRACT FROM AUTHOR]

DNA polyhedra are cage-like architectures based on interlocked and interlinked DNA strands. We propose a formula which unites the basic features of these entangled structures. It is based on the transformation of the DNA polyhedral links into Seifert surfaces, which removes all knots. The numbers of components m, of crossings c, and of Seifert circles s are related by a simple and elegant formula: s+μ=c+2. This formula connects the topological aspects of the DNA cage to the Euler characteristic of the underlying polyhedron. It implies that Seifert circles can be used as effective topological indices to describe polyhedral links. Our study demonstrates that, the new Euler's formula provides a theoretical framework for the stereo-chemistry of DNA polyhedra, which can characterize enzymatic transformations of DNA and be used to characterize and design novel cages with higher genus. [ABSTRACT FROM AUTHOR]

Abstract: Highly efficient oxidative coupling of amines to imines by tert-butyl hydroperoxide (t-BuOOH) in the presence of metalloporphyrins has been reported. Manganese porphyrin showed excellent activity and selectivity for the oxidative coupling of amines to imines under ambient conditions. Moreover, a plausible mechanism involving high valence oxo intermediate has been proposed. [Copyright &y& Elsevier]

A mathematical methodology for understanding the complexity of Platonic and Archimedean polyhedral links has been developed based on some topological invariants from knot theory. Knot invariants discussed here include crossing number, unknotting number, genus and braid index, which are considered significant in view of DNA nanotechnology. Our results demonstrate that the braid index provides the most structural information; hence, it can be used, among four knot invariants, as the most useful complexity measure. Using such an invariant, it indicates that the complexity of polyhedral links is directed by the number of their building blocks. The research introduces a simple but important concept in the theoretical characterization and analysis of DNA polyhedral catenanes. [ABSTRACT FROM AUTHOR]

Abstract: Highly efficient oxidation of oximes to carbonyl compounds by molecular oxygen with benzaldehyde as an oxygen acceptor in the presence of metalloporphyrins has been reported. The simple structural manganese porphyrin showed an excellent activity for the oxidative deoximation reactions of various oximes. Moreover, different factors influencing oximes oxidation, that is, catalyst, solvent, and temperature, have been investigated. A possible mechanism for the deoximation reaction has been proposed. [Copyright &y& Elsevier]

Standard Watson−Crick adenine−thymine (AT) base pair has been investigated by using the B3LYP functional with 6-31G(d, p) basis set, at which level of theory the geometrical characteristics of the AT base pair are the best in agreement with the experiment. It exhibits simultaneously red-shifted N−H···O and N−H···N hydrogen bonds as well as a blue-shifted C−H···O contact. AIM analysis suggests that the blue-shifted C−H···O contact exists as van der Waals interaction, and the electron density ρ that reflects the strength of a bond has been used to explain the red- and blue-shifted. By means of NBO analysis, we report a method to estimate the effect of hyperconjugation quantitatively, which combines the electron density in the X−H (X = N, C) σ bonding orbital with that in the σ* antibonding orbital. The effect of structural reorganization on the origins of the red- and blue-shifted has been considered by the partial optimization, its behavior on the X−H (X = N, C) bond is quite different. Rehybridization and repolarization models are employed, and they act as bond-shortening effects. The competition between the electrostatic attractions and Pauli/nucleus repulsions is present in the two typical red-shifted N−H···O and N−H···N hydrogen bonds as well as in the blue-shifted C−H···O van der Waals contact. Electrostatic attraction between H and Y atoms (Y = O, N) is an important reason for the red shift, while the nucleus−nucleus repulsion between H and O atoms may be a factor leading to the C−H bond contraction and its blue shift. The electric field effect induced by the acceptor O atom on the C−H bond is also discussed. [ABSTRACT FROM AUTHOR]

Abstract: Efficient selective oxidation of alcohols to carbonyl compounds by molecular oxygen with isobutyraldehyde as oxygen acceptor in the presence of metalloporphyrins has been reported. Ruthenium (III) meso-tetraphenylporphyrin chloride (Ru(TPP)Cl) showed excellent activity and selectivity for oxidation of various alcohols under mild conditions. Moreover, different factors influencing alcohols oxidation, for example, catalyst, solvent, temperature, and oxidant, have been investigated. In large-scale oxidation of benzyl alcohol, the isolated yield of benzaldehyde of 89% was observed. [Copyright &y& Elsevier]

Therapeutic heparin concentrations selectively inhibit the intrinsic tenase complex in an antithrombin-independent manner. To define the molecular target and mechanism for this inhibition, recombinant human factor IXa with alanine substituted for solvent-exposed basic residues (H92, R170, R233, K241) in the protease domain was characterized with regard to enzymatic activity, heparin affinity, and inhibition by low molecular weight heparin (LMWH). These mutations only had modest effects on chromogenic substrate hydrolysis and the kinetics of factor X activation by factor IXa. Likewise, factor IXa H92A and K241A showed factor IXa-factor Villa affinity similar to factor IXa wild type (WT). In contrast, factor IXa R170A demonstrated a 4-fold increase in apparent factor IXa-factor Villa affinity and dramatically increased coagulant activity relative to factor IXa WT. Factor IXa R233A demonstrated a 2.5-fold decrease in cofactor affinity and reduced ability to stabilize cofactor half-life relative to wild type, suggesting that interaction with the factor Villa A2 domain was disrupted. Markedly (R233A) or moderately (H92A, R170A, K241A) reduced binding to immobilized LMWH was observed for the mutant proteases. Solution competition demonstrated that the EC50 for LMWH was increased less than 2-fold for factor IXa H92A and K241A but over 3.5-fold for factor IXa R170A, indicating that relative heparin affinity was WT > H92A1K241A > R170A≫ R233A. Kinetic analysis of intrinsic tenase inhibition demonstrated that relative affinity for LMWH was WT> K241A> H92A > R170A ≫ R233A, correlating with heparin affinity. Thus, LMWH inhibits intrinsic tenase by interacting with the heparin-binding exosite in the factor IXa protease domain, which disrupts interaction with the factor VIIIa A2 domain. [ABSTRACT FROM AUTHOR]

Studies the synthesis and characterization of alpha-methacrylyoxyethyloxycarbonylmethyl-omega-(N,N-diethyldithiocarbamy l ) polystyrene macromonomers by radical polymerization. Copolymerization behavior of the macromonomer; Determination of the molecular weights of the macromonomers; Graft copolymers formed by copolymerization of the macromonomers.

Describes the synthesis of mesoporous poly(styrene-co-maleic anhydride)/silica hybrid materials via a nonsurfactant-templated sol-gel process. Mesoporous hybrid material; Citric acid; Nonsurfactant template.

Discusses the 'living'/controlled radical polymerization of ethyl methacrylate with a 2,2'-azobisisobutynitrile/ferric chloride/ triphenylphosphine initiation system at 85 degrees Celsius. Number average molecular weight increasing linearly with monomer conversion; End functionalization of the polymer by chlorine atom which acts as a macroinitiator to proceed extension polymerization.

Describes the sol-gel synthesis of a family of organic-inorganic hybrid materials, in which various vinyl polymers are covalently bonded to and uniformly distributed in inorganic oxide matrices. Immobilization of a series of enzymes and other bioactive agents in mesoporous materials; Comparison between the catalytical activities of the enzyme encapsulated in mesoporous and microporous materials.

Abstract: Nanostructured thermoelectric materials are of much interest for improving the thermoelectric figure of merit. In the present work, Sb2Te3 hexagonal nanoplates were successfully fabricated via a facile hydrothermal method. The products were characterized by means of X-ray diffraction, field-emission scanning electron microscope, transmission electron microscope and energy-dispersive X-ray spectroscopy. The results show that the typical Sb2Te3 crystal is hexagonal in shape with about 35nm in thickness and 300nm in edge length. The mechanism for formation of Sb2Te3 hexagonal nanoplates is primarily discussed. [Copyright &y& Elsevier]

In this work, high stability of MgO/carbon nanotube (CNT) interface has been achieved through coating MgO nanoparticles on the surface of CNT via the co-deposition technique. Experimental results indicate that two types of MgO nanoparticles, those are single-crystal and poly-crystal nanoparticles were uniformly coated on the surface of CNT. The oxygen groups on CNT introduced by purification are crucial to the nucleation and growth of MgO nanoparticles on the surface of CNT via the C–O–Mg bonds interaction, and resulting in the formation of MgO/CNT interface in the sample of MgO@CNT. The survived stable interface of MgO/CNT in the long time (22 h) and high intensity ultrasonic vibration (1000 W) treatment, suggests that the MgO/CNT interface has an excellent stability in microstructure. The calculations of work of adhesion for the interface models gives the evidence that MgO nanoparticles can form a strong interfacial bonding with CNT, proving the high stability of the MgO/CNT interface. MgO-coated CNT with high stable interface is suited to act as the reinforcing additive for the matrix of Mg alloy. • There are two types of MgO nanoparticles, that is single-crystal and poly-crystal nanoparticles were uniformly coated on the surface of CNT. • The interface of MgO/CNT in the sample of MgO@CNT has an excellent stability in the microstructure. • MgO@CNT is favorable to improve the interfacial bonding between CNT and the matrix of Mg in the Mg-based composite. [ABSTRACT FROM AUTHOR]