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Herbal medicines are frequently blended in the form of multi-drug combinations primarily based on the precept of medicinal compatibility, to achieve the purpose of treating diseases. However, due to the lack of appropriate techniques and the multi-component and multi-target nature of Chinese medicine compounding, it is tough to explain how the drugs interact with each other. As a rising discipline, cyber pharmacology has formed a new approach characterized by using holistic and systematic “network targets” via the cross-fertilization of computer technology, bioinformatics, and different multidisciplinary disciplines. It can broadly screen the active ingredients of traditional Chinese medicine, enhance the effective utilization of drugs, and elucidate the mechanism of drug action. We will overview the principles of Chinese medicine compounding and dispensing, the research methods of network pharmacology, and the software of network pharmacology in the lookup of compounded Chinese medicines, aiming to supply thoughts for the better application of network pharmacology in the research of Chinese medicines. [ABSTRACT FROM AUTHOR]

The mechanism of formic acid decomposition on the Pd(111) surface has been investigated by several theoretical methods in previous studies, including PBE and PW91. These results indicated that the mechanism is different from different methods, and even by using the same method (i.e., PBE), the mechanism is also different. In this study, we have revisited the formic acid decomposition on Pd(111) surface by using another density functional RPBE and by including van der Waals interaction which is neglected in the previous studies. Our results showed that the formic acid is decomposed via O–H bond cleavage to form bi-HCOO*, and the most favorable pathway is HCOOH* → bi-HCOO* + H* → CO2* + 2H*. The energy barrier is 0.55 eV at the rate-determining step. This conclusion is consistent with one of the PBE study. This demonstrated that computational methods have a great influence on the reaction mechanism, and care should be taken in selecting the appropriate computational methods. [ABSTRACT FROM AUTHOR]

Various pollutants in wastewater including water-insoluble oils and water-soluble toxic organic pollutants, have been threatening ecosystems and human health, making wastewater purification difficult. Inspired by the hierarchical structures and chemical compositions of lotus leaf, we combined the usage of polydopamine (PDA) chemistry and photocatalytically active TiO2 to develop a facile approach toward composite PDA-based TiO2 coated mesh with restorable superhydrophobicity. In this procedure, PDA assisted loading of TiO2 nanoparticles onto stainless steel mesh with a result of micro/nanoscale hierarchical surface was achieved via a single-step solvothermal method. After modified with 1H, 1H, 2H, 2H-perfluorodecyltriethoxysilane, this mesh became superhydrophobic. The TiO2 coated mesh exhibited enhanced superhydrophobicity, excellent environmental stability, robust chemical resistance and high mechanical durability. Moreover, it has been demonstrated the high separation capacity and extraordinary recyclability for various oils collection from water due to its special surface superhydrophobicity. Importantly, such a mesh possessed photocatalytic activity due to the embedded TiO2, which allowed for the effective degradation of organic pollutants under UV irradiation, representing a plausible way to restore superhydrophobic surface by photocatalytically decomposing the attached contaminants. This investigation suggests a green and facile way to prepare superhydrophobic materials with restored surface wetting property, which will be useful for wastewater purification. [ABSTRACT FROM AUTHOR]

As a perennial herbaceous species, Panax ginseng is widely cultivated and used as traditional herbal medicine. The root of Panax ginseng commonly remains expensive as conventional breeding of Panax ginseng is difficult. Somatic embryogenesis (S.E.) is a useful tool for plant propagation and optimal model for understanding the mechanisms of plant embryogenesis. In Panax ginseng, increasing studies have been widely performed to optimize the technology of S.E., while the underlying mechanism remains unclear. In this paper, we cloned and identified a WRKY family gene named PgWRKY6 which is upregulated in response to 2,4-D (2,4-dichlorophenoxyacetic acid)-induced embryogenic callus development. The silencing of PgWRKY6 obviously reduces the induction rate of embryogenic callus, indicating its crucial role in S.E. of Panax ginseng hairy root. The expressions of several ROS-scavenging genes are also inducible during embryogenic callus development, and the transcriptions of PgGST, PgAPX1, and PgSOD are demonstrated to be regulated by PgWRKY6. Recombinant PgWRKY6, an approximate 40-KDa protein purified from Escherichia coli, shows a specific DNA-binding activity with a potential recognition site of TTGAC(C/T). This work demonstrated that as a conserved WRKY family transcription factor, PgWRKY6 functions upstream of PgGST, PgAPX1, and PgSOD, and potentially mediated auxins –ROS signaling pathway in the process of S.E. in Panax species. [ABSTRACT FROM AUTHOR]

Puerariae Thomsonii Radix (PTR) is not only widely used in disease prevention and treatment but is also an important raw material as a source of starch and other food. The growth years of PTR are closely related to its quality. The rapid and nondestructive identification of growth year is essential for the quality control of PTR and other traditional Chinese medicines. In this study, we proposed a convolutional neural network (CNN)-based classification framework in conjunction with hyperspectral imaging (HSI) technology for the rapid identification of the growth years of PTRs. Traditional treatment methods (i.e., multiplicative scatter correction, standard normal variate, and Savitzky-Golay smoothing) combined with machine learning algorithms (i.e., random forest, logistic regression, naive Bayes, and eXtreme gradient boost) were used as baseline models. Among them, the F1-score of CNN-based models based on PTRs' outer surfaces was over 90%, outperforming all the other baseline models. These results showed that it was feasible to use a deep learning algorithm in conjunction with HSI technology to identify the growth years of PTR. This method provides a fast, nondestructive, and simple method of identifying the growth years of PTR. It can be easily applied to other scenarios, such as for the identification of the locality or years of growth for other traditional Chinese herbs. [ABSTRACT FROM AUTHOR]

Nitrogen (N)-doped carbon cloth (NCC) was obtained by carbonizing polypyrrole coated on the CC to improve the specific surface area and introduce nitrogen functional groups. The surface area of the NCC was 147 m2 g−1, which was 16.7 times that of CC (8.8 m2 g−1). X-ray photoelectron spectroscopy demonstrated that two types of N dopants (pyrrolic-N and quaternary-N) were successfully doped in the NCC. The NCC had a high specific capacitance of 1.2 F cm−2 at 8 mA cm−2 as determined using a three-electrode system in 1 M Na2SO4. The asymmetric supercapacitor used with the NCC as negative electrode exhibited an energy density of 2.43 mWh cm−3 at 208 mW cm−3 with a voltage window of 2 V. [ABSTRACT FROM AUTHOR]

Puerariae Thomsonii Radix (PTR) is not only widely used in disease prevention and treatment but is also an important raw material as a source of starch and other food. The growth years of PTR are closely related to its quality. The rapid and nondestructive identification of growth year is essential for the quality control of PTR and other traditional Chinese medicines. In this study, we proposed a convolutional neural network (CNN)-based classification framework in conjunction with hyperspectral imaging (HSI) technology for the rapid identification of the growth years of PTRs. Traditional treatment methods (i.e., multiplicative scatter correction, standard normal variate, and Savitzky-Golay smoothing) combined with machine learning algorithms (i.e., random forest, logistic regression, naive Bayes, and eXtreme gradient boost) were used as baseline models. Among them, the F1-score of CNN-based models based on PTRs' outer surfaces was over 90%, outperforming all the other baseline models. These results showed that it was feasible to use a deep learning algorithm in conjunction with HSI technology to identify the growth years of PTR. This method provides a fast, nondestructive, and simple method of identifying the growth years of PTR. It can be easily applied to other scenarios, such as for the identification of the locality or years of growth for other traditional Chinese herbs. [ABSTRACT FROM AUTHOR]

SrTiO3 photocatalysts have been widely applied in overall water splitting reaction for their reasonable redox potential, whereas preventing the defects is crucial to improve the transition of photoexcited carriers influencing the photocatalytic performance. The defects in perovskite-type SrTiO3 were mainly Ti3+ and oxygen vacancies. Thence, little Ta5+ was designed to be doped in the B site for modulating the defect concentration. A series of advanced characterizations demonstrated that Ta5+ is helpful for Al3+ to penetrate the SrTiO3 lattice through lattice distortion, decreasing the Ti3+ defects. Meanwhile, the doping of slight Ta5+ facilitates the decrease in oxygen defect concentration, due to the formation of {Ta5+–O–Al3+}. Photoluminescence spectra and time-resolved fluorescence spectroscopy uncover that the charge carrier separation of SrTiO3 was enhanced by slight Ta5+. However, the excessive Ta5+ greatly promoted form the oxygen defect and Ti3+ species, leading to severe recombination of photogenerated carriers, which significantly reduced the photocatalytic activity. As a result, the optimized sample showed significant improvement in photocatalytic activity compared to the pure SrTiO3. [ABSTRACT FROM AUTHOR]

Non-motile cells of Haematococcus pluvialis grow slowly, whereas motile cells grow fast and divide frequently. Cultivation from non-motile cells to motile cells of H. pluvialis was implemented to promote semi-continuous production. When old cultures which consist of non-motile cells were inoculated in fresh medium with an inoculation amount less than 15%, zoospores were produced in the non-motile cells and developed into motile cells, as the concentration of astaxanthin inducer in the medium was below the threshold value. This process was accomplished within 3 days after inoculation. Furthermore, enhancing KNO3 content to 1200 mg L−1 or reducing light intensity to 20 μmol photons m−2 s−1 could increase growth during the late culturing period of H. pluvialis and postpone the next round of transformation from motile cells to non-motile cells. A semi-continuous cultivation method for H. pluvialis from non-motile cells to motile cells is proposed in order to regulate the life cycle and promote industrial production. This cultivation mode shortens the inoculum cultivation stage and simplifies the production process of H. pluvialis, showing considerable commercial potential. [ABSTRACT FROM AUTHOR]

Highly mesoporous structure nickel cobalt oxides with an ultra-high specific surface area are synthesized through a sol-gel method by using silica derived from tetraethoxysilane hydrolysis as a template. The structural and morphological characteristics of the oxides are determined using X-ray diffraction, scanning electron microscopy, high-resolution transmission electron microscopy, and N adsorption experiments. The electrochemical properties, including capacitance, of the oxides are analyzed through cyclic voltammetry, AC impedance spectroscopy, and charge-discharge tests in 7 M KOH under ambient conditions. The as-prepared nickel cobalt oxides possessing an ultra-high specific surface area of 438.3 m g and a mesoporous structure exhibit a high specific capacitance of 1157.7 F g and a long-term cyclic stability (97.13 % capacity retention after 5000 cycles). Thus, the prepared oxides are promising for supercapacitor applications. [ABSTRACT FROM AUTHOR]

By means of first-principles calculations, we have systematically studied the La doping effect for the recently discovered layered BiS $$_{2}$$ -based superconductor Sr $$_{1-x}$$ La $$_{x}$$ FBiS $$_{2}$$ ( $$x = 0$$ -0.7). For the electronic structure, we obtained the band structure, density of states (DOS), and Fermi surface (FS) at different doping levels. The parent compound SrFBiS $$_{2}$$ is a semiconductor with a gap of 0.88 eV. The substitution of Sr by La dopes electrons and turns the system from a semiconductor to a metal. The band structure and the FS topology also change obviously with the increasing of doping level. Good FS nesting at the wave vector ( $$\pi $$ , $$\pi $$ , 0 ) has been found at certain doping levels, suggesting a proximity to charge-density-wave instability. Particularly, the doping dependence of DOS at the Fermi level resembles the available experimental variation of $$T_{\mathrm{c}}$$ as the function of x, indicating that it may be a conventional phonon-mediated superconductor. This was further proved by electron-phonon coupling calculation. Therefore, similar to LaO $$_{1-x}$$ F $$_{x}$$ BiS $$_{2}$$ , our results suggest another example of superconductor derived from doped semiconductor. [ABSTRACT FROM AUTHOR]

Motivated by the experimental huge enhancement of the superconducting transition temperature $$T_\mathrm{c}$$ in FeSe superconductor under high pressure, we perform first-principles calculations of the evolutions of structural, electronic, and lattice dynamical properties of FeSe at varying hydrostatic pressures up to 8 GPa. The pressure response is anisotropic with a larger compressibility along $$c$$ -axis. At ambient pressure, Fermi surface nesting between hole and electron pockets induces spin density wave (SDW) order at the vector ( $$\pi $$ , $$\pi $$ , 0) with a collinear antiferromagnetic structure. With the increase of pressure, the Fermi surface nesting is reduced, and therefore the SDW is suppressed, which could not enhance superconductivity based on the spin-fluctuation scenario. For the phonon dispersion, the bands have blue-shift except for the modes around 100 cm $$^{-1}$$ , indicating hardening of the vibration modes in a wide frequency range. Furthermore, the electron-phonon coupling constant and the corresponding $$T_\mathrm{c}$$ by McMillan equation are calculated. However, there is no obvious enhancement of $$T_\mathrm{c}$$ under pressure, which further rules out the conventional phonon-mediated superconductivity of FeSe. Maybe the local magnetic moment plays an important role for the superconductivity and enhancement of $$T_\mathrm{c}$$ under pressure. [ABSTRACT FROM AUTHOR]

Serious desertification caused by human activity and climate change, in addition to water loss and soil erosion related to arsenic sandstone in the Mu Us Sandy Land, lead to severe scarcity of soil and water resources, which causes worse local agricultural conditions accordingly. Many physical properties of arsenic sandstone is complementary with that of sand, arsenic sandstone is therefore supposed to be blended to enhance water productivity and arability of sandy land. Container experiments are carried out to study the enhancement of water holding capacity of the mixture, the blending ratio of arsenic sandstone and sand, and the proper size of the arsenic sandstone particles, respectively. The results of the experiments show that particle size of 4 cm with a ratio of 1:2 between arsenic sandstone and sand are the proper parameters on blending. Both water content and fertility increase after blending. Water use efficiency in the mixture is 2.7 times higher than that in sand by the water release curves from experiments. Therefore, a new sand control and development model, including arsenic sandstone blending with sand, efficient water irrigation management and reasonable farming system, is put forward to control and develop sandy land so that water-saving agriculture could be developed. Demonstration of potato planting about 153.1 ha in area in the Mu Us Sandy Land in China indicates that water consumption is 3018 m 3/ha in the whole growth period. It means that about 61% of irrigation water can be saved compared with water use in coarse sand without treatment. Recycle economic mode and positive feedback of sand resource-crop planting-soil resource are constructed, which changes sand into arable soil and make it possible to develop water-saving agriculture on it. The proposed model will be helpful for soil-water resources utilization and management in the Mu Us Sandy Land. [ABSTRACT FROM AUTHOR]

Highlights: The synthetic strategies of electrospun SiO2 nanofibers with diverse structures and their three-dimensional (3D) assemblies are reviewed in detail. The brittleness-to-flexibility transition of SiO2 nanofibers and the means of mechanical strengthening are discussed. The multifunctional applications of 3D SiO2 nanofibrous aerogels are emphasized, and the challenges and opportunities for their future development are prospected. One-dimensional (1D) SiO2 nanofibers (SNFs), one of the most popular inorganic nanomaterials, have aroused widespread attention because of their excellent chemical stability, as well as unique optical and thermal characteristics. Electrospinning is a straightforward and versatile method to prepare 1D SNFs with programmable structures, manageable dimensions, and modifiable properties, which hold great potential in many cutting-edge applications including aerospace, nanodevice, and energy. In this review, substantial advances in the structural design, controllable synthesis, and multifunctional applications of electrospun SNFs are highlighted. We begin with a brief introduction to the fundamental principles, available raw materials, and typical apparatus of electrospun SNFs. We then discuss the strategies for preparing SNFs with diverse structures in detail, especially stressing the newly emerging three-dimensional SiO2 nanofibrous aerogels. We continue with focus on major breakthroughs about brittleness-to-flexibility transition of SNFs and the means to achieve their mechanical reinforcement. In addition, we showcase recent applications enabled by electrospun SNFs, with particular emphasis on physical protection, health care and water treatment. In the end, we summarize this review and provide some perspectives on the future development direction of electrospun SNFs. [ABSTRACT FROM AUTHOR]

The ability to store and deliver electricity quickly at low temperatures is crucial for exploring unknown spaces under harsh conditions. In this work, we present a supercapacitor with excellent high power density and ultra-low temperature tolerance. The supercapacitor is assembled using designed MXene/holey graphene hydrogel electrodes and an all-around 37.0% H2SO4 electrolyte. It combines high ionic conductivity, self-supporting properties, and anti-freezing ability. The optimal composition ratio of the supercapacitor demonstrates a power density of 2500 μW cm−2 and an energy density of 64.86 μWh cm−2, along with a high specific areal capacitance of 467 mF cm−2 and excellent cycle stability, retaining 90.23% of its capacitance after 20,000 cycles. The electrochemical stability can be maintained even at temperatures as low as − 40 °C (with a retention rate of approximately 71.08%) and − 60 °C (with a retention rate of approximately 60.11%). Additionally, the device exhibits outstanding cycle stability, with a capacitance retention rate of over 95% after 20,000 cycles at − 60 °C. This study provides an opportunity to develop acid supercapacitors as environmentally tolerant energy storage devices. [ABSTRACT FROM AUTHOR]

Non-thermal plasma (NTP) catalysis has attracted widespread attention in volatile organic compounds (VOCs). Combining NTP with heterogeneous catalyst has been proved to reduce the formation of unwanted by-products and improve the energy efficiency of the process. The mechanisms of interaction with plasma and catalyst and VOCs oxidation in plasma catalysis are particularly hot research topic. This paper reviewed the mechanism of non-thermal plasma catalysis on volatile organic compounds removal. In the first part, the interaction between plasma and catalyst is disscussed. And the different catalysis systems and discharge types are presented in the second part. In the third part, attention is given to the influence of critical parameters on the removal processes. Finally, based on a large number of literatures, an extended review is presented detailly on the treatment of VOCs with plasma-catalysis system including the oxidation pathways. Moreover, future works of this promising technology are discussed. [ABSTRACT FROM AUTHOR]

We investigated changes to precipitation and temperature of Alberta for historical and future periods. First, the Mann-Kendall test and Sen's slope were used to test for historical trends and trend magnitudes from the climate data of Alberta, respectively. Second, the Special Report on Emissions Scenarios (SRES) (A1B, A2, and B1) of CMIP3 (Phase 3 of Coupled Model Intercomparison Project), projected by seven general circulation models (GCM) of the Intergovernmental Panel on Climate Change (IPCC) for three 30 years periods (2020s, 2050s, and 2080s), were used to evaluate the potential impact of climate change on precipitation and temperature of Alberta. Third, trends of projected precipitation and temperature were investigated, and differences between historical versus projected trends were estimated. Using the 50-km resolution dataset from CANGRD (Canadian Grid Climate Data), we found that Alberta had become warmer and somewhat drier for the past 112 years (1900-2011), especially in central and southern Alberta. For observed precipitation, upward trends mainly occurred in northern Alberta and at the leeward side of Canadian Rocky Mountains. However, only about 13 to 22 % of observed precipitation showed statistically significant increasing trends at 5 % significant level. Most observed temperature showed significant increasing trends, up to 0.05 °C/year in DJF (December, January, and February) in northern Alberta. GCMs' SRES projections indicated that seasonal precipitation of Alberta could change from −25 to 36 %, while the temperature would increase from 2020s to 2080s, with the largest increase (6.8 °C) in DJF. In all 21 GCM-SRES cases considered, precipitation in both DJF and MAM (March, April, and May) is projected to increase, while temperature is consistently projected to increase in all seasons, which generally agree with the trends of historical precipitation and temperature. The SRES A1B scenario of CCSM3 might project more realistic future climate for Alberta, where its water resources can become more critical in the future as its streamflow is projected to decrease continually in the future. [ABSTRACT FROM AUTHOR]

Key message: The first high-density linkage map was constructed to identify quantitative trait loci (QTLs) for somatic embryogenesis (SE) in cotton ( Gossypium hirsutum L.) using leaf petioles as explants. Abstract: Cotton transformation is highly limited by only a few regenerable genotypes and the lack of understanding of the genetic and molecular basis of somatic embryogenesis (SE) in cotton ( Gossypium hirsutum L.). To construct a more saturated linkage map and further identify quantitative trait loci (QTLs) for SE using leaf petioles as explants, a high embryogenesis frequency line (W10) from the commercial Chinese cotton cultivar CRI24 was crossed with TM-1, a genetic standard upland cotton with no embryogenesis frequency. The genetic map spanned 2300.41 cM in genetic distance and contained 411 polymorphic simple sequence repeat (SSR) loci. Of the 411 mapped loci, 25 were developed from unigenes identified for SE in our previous study. Six QTLs for SE were detected by composite interval mapping method, each explaining 6.88-37.07 % of the phenotypic variance. Single marker analysis was also performed to verify the reliability of QTLs detection, and the SSR markers NAU3325 and DPL0209 were detected by the two methods. Further studies on the relatively stable and anchoring QTLs/markers for SE in an advanced population of W10 × TM-1 and other cross combinations with different SE abilities may shed light on the genetic and molecular mechanism of SE in cotton. [ABSTRACT FROM AUTHOR]

Numerous proteases are known to be necessary for cancer development and progression including matrix metalloproteinases (MMPs), tissue serine proteases, and cathepsins. The goal of this research is to develop an Fe/Fe3O4 nanoparticle-based system for clinical diagnostics, which has the potential to measure the activity of cancer-associated proteases in biospecimens. Nanoparticle-based “light switches” for measuring protease activity consist of fluorescent cyanine dyes and porphyrins that are attached to Fe/Fe3O4 nanoparticles via consensus sequences. These consensus sequences can be cleaved in the presence of the correct protease, thus releasing a fluorescent dye from the Fe/Fe3O4 nanoparticle, resulting in highly sensitive (down to 1 × 10−16 mol l−1 for 12 proteases), selective, and fast nanoplatforms (required time: 60 min). [ABSTRACT FROM AUTHOR]

The insulin-like growth factor (IGF) axis has been implicated in the progression of malignant disease and identified as a clinically important therapeutic target. Several IGF-1 receptor (IGF-1R) targeting drugs including humanized monoclonal antibodies have advanced to phase II/III clinical trials, but to date, have not progressed to clinical use, due, at least in part, to interference with insulin receptor signalling. We previously reported on the production of a soluble fusion protein consisting of the extracellular domain of human IGF-1R fused to the Fc portion of human IgG1 (first generation IGF-TRAP) that bound human IGF-1 and IGF-2 with a 3 log higher affinity than insulin. We showed that the IGF-TRAP had potent anti-cancer activity in several pre-clinical models of aggressive carcinomas. Here we report on the re-engineering of the IGF-TRAP with the aim of improving physicochemical properties and suitability for clinical applications. We show that cysteine-serine substitutions in the Fc hinge region of IGF-TRAP eliminated high-molecular-weight oligomerized species, while a further addition of a flexible linker, not only improved the pharmacokinetic profile, but also enhanced the therapeutic profile of the IGF-TRAP, as evaluated in an experimental colon carcinoma metastasis model. Dose-response profiles of the modified IGF-TRAPs correlated with their bio-availability profiles, as measured by the IGF kinase-receptor-activation (KIRA) assay, providing a novel, surrogate biomarker for drug efficacy. This study provides a compelling example of structure-based re-engineering of Fc-fusion-based biologics for better manufacturability that also significantly improved pharmacological parameters. It identifies the re-engineered IGF-TRAP as a potent anti-cancer therapeutic. [ABSTRACT FROM AUTHOR]