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Exploiting new non-metal-based peroxidase-mimic nanoenzymes for chemodynamic therapy (CDT) in cancer treatment is an active and challenging field. Here, we found that activated carbon nanoparticles (denoted as ANs) fabricated from coconut shell have satisfactory peroxidase-mimic nanoenzyme activity. Based on this positive result, gadodiamide, a clinically used nuclear magnetic imaging contrast agent, was loaded inside the AN pores and encapsulated by polyvinylpyrrolidone (PVP) to obtain Gd@PANs. PANs (ANs modified using PVP) efficiently catalyze the massive decomposition of endogenous hydrogen peroxide (H2O2) inside cancer cells to produce toxic oxidized hydroxyl radicals (˙OH) for the CDT treatment of cancer, but they showed no toxicity toward normal cells. Additionally, under 808 nm laser irradiation, the photothermal conversion efficiency of the PANs reaches 45.20%, ensuring their effective photothermal therapy (PTT) treatment functionality. Simultaneously, during PTT treatment, the heating effect significantly enhances the peroxidase-mimic activity of the PANs to achieve an ideal PTT-CDT synergistic therapeutic outcome. Gd@PANs can also be used for the T1-magnetic resonance imaging (MRI) of tumors to integrate treatment and diagnosis.

We show herein the phosphatase-like catalytic activity of coordination polymers obtained after adding Ag + -ions to thiols bearing hydrophobic alkyl chains terminated with a 1,4,7-triazacyclononane (TACN) group. The subsequent addition of Zn 2+ -ions to the self-assembled polymers resulted in the formation of multivalent metal coordination polymers capable of catalysing the transphosphorylation of an RNA-model compound (2-hydroxypropyl-4-nitrophenyl phosphate, HPNPP) with high reactivity. Analysis of a series of metal ions showed that the highest catalytic activity was obtained when Ag + -ions were used as the first metal ions to construct the backbone of the coordination polymer through interaction with the -SH group followed by Zn 2+ -ions as the second metal ions complexed by the TACN-macrocycle. Furthermore, it was demonstrated that the catalytic activity could be modulated by changing the length of the hydrophobic alkyl chain.

Background. Survival of patients with portal vein tumor thrombosis (PVTT) is extremely poor; transarterial chemoembolization (TACE) is a treatment for patients with HCC and PVTT. Some studies showed that hepatic arterial infusion chemotherapy (HAIC) might improve the survival of HCC with PVTT. There were few researches of combining TACE with HAIC for patients with HCC and PVTT. Aim. This study was aimed at comparing overall survival (OS) and progression-free survival (PFS) following treatment with conventional transarterial chemoembolization plus hepatic arterial infusion chemotherapy (cTACE-HAIC) or conventional transarterial chemoembolization (cTACE) alone in patients with hepatocellular carcinoma (HCC) and portal vein tumor thrombosis (PVTT). Methods. From January 2011 to December 2016, 155 patients with HCC and PVTT who received cTACE-HAIC (cTACE-HAIC group) ( n = 86 ) or cTACE alone (cTACE group) ( n = 69 ) were retrospectively evaluated. Propensity score matching (PSM) reduced the confounding bias and yielded 60 matched patient pairs. The tumors’ responses were evaluated using the modified response evaluation criteria in solid tumors (mRECIST). OS and PFS of groups were compared using the Kaplan-Meier method, log-rank test, and Cox proportional hazard regression models. Results. The median follow-up duration was 93 months (range: 1–93 months). The cTACE-HAIC group’s OS (9.0 months) and PFS (6.0 months) were significantly longer than the cTACE group’s OS (5.0 months) and PFS (2.0 months) ( p = 0.018 and p = 0.045 , respectively) in the matched cohort. Multivariate analyses showed that cTACE-HAIC was independently associated with OS (hazard ratio (HR) 0.602, p = 0.010 ) and PFS (HR 0.66, p = 0.038 ). The matched groups did not differ regarding grade 3 or 4 adverse events. Conclusion. cTACE-HAIC was superior to cTACE alone regarding OS and PFS in patients with HCC and PVTT. Treatment-associated toxicities were generally well tolerated.

Evaluating efficiency according to the different states of returns to scale (RTS) is crucial to resource allocation and scientific decision for decision-making units (DMUs), but this kind of evaluation will become very difficult when the DMUs are in an uncertain random environment. In this paper, we attempt to explore the uncertain random data envelopment analysis approach so as to solve the problem that the inputs and outputs of DMUs are uncertain random variables. Chance theory is applied to handling the uncertain random variables, and hence, two evaluating models, one for increasing returns to scale (IRS) and the other for decreasing returns to scale (DRS), are proposed, respectively. Along with converting the two uncertain random models into corresponding equivalent forms, we also provide a numerical example to illustrate the evaluation results of these models.

In the construction process of different integrated pipe corridors, there exist a large number of similar and reusable risk analysis results. In order to improve the efficiency of risk analysis and the efficiency of dealing with accidents in the process of construction management of integrated pipeline corridors and systematize the fragmented risk analysis knowledge, this paper will build ontology-based knowledge for risk response in integrated pipeline corridors. This ontology knowledge base can not only standardize and informatize knowledge through the definition of knowledge attributes and classification of knowledge, which can help reuse risk management metaknowledge at different levels and greatly improve the efficiency of risk management, but also reason out the risk-causing mechanism and response strategy of new integrated pipeline corridor risk through the similarity between risks and the correlation between risk-causing factors, so as to realize the repeated application of risk knowledge.

Diverse classes of anion transporters have been developed, most of which focus on the transmembrane chloride transport due to its significance in living systems. Fluoride transport has, to some extent, been overlooked despite the importance of fluoride channels in bacterial survival. Here, we report the design and synthesis of a cyclic azapeptide (a peptide-based N-amidothiourea, 1), as a transporter for fluoride transportation through a confined cavity that encapsulates fluoride, together with acyclic control compounds, the analogs 2 and 3. Cyclic receptor 1 exhibits more stable β-turn structures than the control compounds 2 and 3 and affords a confined cavity containing multiple inner –NH protons that serve as hydrogen bond donors to bind anions. It is noteworthy that the cyclic receptor 1 shows the capacity to selectively transport fluoride across a lipid bilayer on the basis of the osmotic and fluoride ion-selective electrode (ISE) assays, during which an electrogenic anion transport mechanism is found operative, whereas no transmembrane transport activity was found with 2 and 3, despite the fact that 2 and 3 are also able to bind fluoride via the thiourea moieties. These results demonstrate that the encapsulation of an anionic guest within a cyclic host compound is key to enhancing the anion transport activity and selectivity.

We propose using the formation of coordination polymers of Ag+ to probe differences between the perfluorinated alkyl chain and the alkyl chain by deriving a thiol ligand, N-(perfluoroalkanoyl)cysteine. Rapid formation in EtOH of P-/M-helical nanofibrils of high thermostability was found for N-(perfluorooctanoyl)-l-/d-cysteine ethyl esters at the μM level upon mixing with Ag+, but not for the octanoyl counterpart. This difference was also observed in terms of circular dichroism-enantiomeric excess dependence.

Supplemental Digital Content is available in the text, Background: Ki-67 is a typical immunohistochemical marker for cell proliferation. Higher expression of Ki-67 is correlated with poor clinical outcomes in several cancers. However, the prognostic value of Ki-67 on the prognosis of meningiomas is still controversial. The purpose of this meta-analysis was to evaluate the prognostic value of Ki-67 in meningiomas. Methods and materials: We searched Medline and EMBASE from inception to December 31, 2018, to identify relevant articles. Using a fixed or random effects model, pooled hazard ratios (HRs) for overall survival (OS) and disease/progression/recurrence-free survival (D/P/RFS) were estimated. Results: A total of 43 studies, comprising 5012 patients, were included in this analysis. Higher Ki-67 expression levels were significantly associated with worse OS (HR = 1.565; 95% CI: 1.217–2.013) and D/P/RFS (HR = 2.644; 95% CI: 2.264–3.087) in meningiomas. Subgroup analysis revealed that all the included factors (ethnicity, tumor grade, HR sources, definition of cutoffs, cutoff values) for heterogeneity investigation can affect the pooled results. Among them, the definitions of cutoffs and cutoff values factor are the two main contributors toward heterogeneity. Multivariable meta-regression analysis also showed that methodologies used for cutoff value definition contributed to the high inner-study heterogeneity. Conclusions: Higher Ki-67 expression levels negatively influenced survival in meningiomas. A higher cutoff value (>4%) is more appropriate for prognosis prediction. It is highly recommended that Ki-67 expression profile could be assessed in meningiomas treatment for predicting survival. And patients with elevated expression of Ki-67 need to have close follow-ups.

The classic spectral molecular sensor consists of a binding site linked to a chromophore via a conjugate or nonconjugate spacer, thus a spectral background may exist. It is therefore demanded to have a spectral sensing scheme with in situ formed chromophore when the sensing species is present with the sensory molecule that the spectral sensing is in principle background free. Metal cations of d8 or d10 electronic configuration when brought into close proximity would facilitate the metallophilic interaction, exhibiting characteristic spectral signals from the chromophore in situ generated upon the occurrence of metal … metal interaction. This Review discusses four spectral sensing platforms with chromophores in situ generated, i.e., the homoatomic metallophilic complexes such as multinuclear Au+ complexes, cofacial stacking of Pt2+ ensembles, Ag+-thiol coordination polymers, and heterometallic complexes. These sensing platforms represent a new scheme that relies on the signalling chromophore in situ generated only when the sensing species is present.

Chiral recognition remains a major challenge in the area of molecular receptor design. With this research, we set out to explore the use of proline-based receptors for chiral recognition. Importantly, the proline structure allows for the introduction of at least two different binding groups due to the availability of both an amine and carboxylic acid group. Here we report a proof-of-concept exploration into the chiral recognition of d/l-glucose as a model chiral species, which prefers to bind to at least two boronic acid groups. We evaluated several proline-based receptors incorporating two phenylboronic acid groups, respectively, at the N- and C-termini of the amino acid residue, via amide bonds. We confirmed that the receptors exhibited chiral recognition using CD, 1H NMR, and 19F NMR spectroscopy. Given the derivation diversity available, our strategy to use proline-based receptors for chiral recognition holds significant promise for extension to other chiral systems.

The fatigue crack growth behaviour of laser melting deposited Ti–5Al–5Mo–5V–1Cr–1Fe titanium alloy was investigated. Deflective crack paths were observed in compact tension C(T) specimens under constant amplitude loading, which greatly extended their fatigue crack growth lives. Observations of metallographic microstructures and microscopic fracture morphology of C(T) specimens indicate that the deflection was caused by orderly distributed primary α phase (αp) laths in grains, especially in columnar grains. Further experiments with clamped single edge notch tension SENTC specimens showed that the deflective extent varies from global to local and even scarce with the gradual increase of the angle between the crack path and αp laths. SENTC results also indicate that the deflective effect of single acicular αp laths is stronger than that of crisscross one when comparing their range of influence.

Sustainability is regarded as achieving economic, environmental, and social dimensions simultaneously that support an organization for long-term competitiveness. Port sustainability has attracted increasing attention because it is related to the issues of climate change and public health and safety. Therefore, it is urgent to measure the sustainability of ports. However, some variables (for instance, air pollutants and the neighboring relationship with surrounding communities) cannot be measured precisely by collecting quantitative data. This led us to select 23 seaports of China and use uncertain variables and uncertain data envelopment analysis model to measure their sustainability efficiency. Moreover, we captured the quantity to be improved of each output. The results show that 14 seaports such as Shanghai Port and Qingdao Port are deemed to be inefficient in terms of their sustainability. And our results can identify whether economic, environmental, or social dimensions contribute to the sustainability inefficiency of each seaport. On the basis of the results, we point out the managerial implications and put forward measures toward enhancing the efficiency of seaports with respect to these two dimensions.

Background Toxoplasma gondii is an intracellular protozoan that can infect humans and other animals, including cattle. Cattle are one of the world’s main sources of meat, and people who consume raw or undercooked meat and milk of cattle infected with T. gondii can become infected. In this study, a total of 5292 dairy cattle serum samples, collected from 17 cities (Henan Province, China) from January 2015 to September 2017, were screened for antibodies against T. gondii. Results Antibodies to T. gondii were found in 1.93% (102/5292) (95% CI, 1.56–2.30) of dairy cattle using a modified agglutination test (cut-off 1:100). The results showed that geographic location and season may be risk factors for T. gondii infection of cattle (P

China's reform has led to rapid port enterprise development and improved major coastal port throughput capacity and loading efficiency. Modern port enterprises are important nodes in global supply chain integration and have begun to function as integrated logistics service centers. Qingdao port was used to evaluate enterprise supply chain risk. An improved AHP method was used to propose measures to strengthen port enterprise supply chain risk management. Port service process risk, operational risk, port relationship process risk, and external environment-associated risk are too high in this supply chain. To strengthen supply chain risk control, improved port service efficiency, enhanced port operational ability, strengthened membership management, and improved supply chain risk prevention mechanisms are required. Keywords: Supply chain, Risk management, Supply chain risk

The oxidation resistance behavior of SmCo (2:17)-type high-temperature magnets modified with Ni–Cr two-layer coating was studied. The study depicts the mass gain kinetics and magnetic properties of uncoated and Ni–Cr-modified magnets oxidized at high temperature (500 °C) in air for 200 h. The oxidation test results illustrate that the mass gain of uncoated magnet is 6.95 mg·cm−2 which is more than that (0.08 mg·cm−2) of coated magnet after 200 h. For the magnetic properties concerned, there is a great loss for uncoated magnet, while for coated magnet, magnetic properties do not change much. The study of uncoated magnet through X-ray diffraction (XRD) and electron probe microanalysis (EPMA) shows that the invasion of oxygen at high temperature leads to the loss of magnetic properties by changing the microstructure of magnet.

A novel triphenylamine derivative, 4,4′-bis-([1,10]phenanthrolin-2-yl) imidazo -triphenylamine (IPTPA) with an A-π-D-π-A structure, has been synthesized and characterized. The UV absorption, single and two-photon fluorescence spectra showed that IPTPA was highly sensitive to Ag+ with a lower detection limit of 3.97 nmoL/L and a moderate binding constant of 2.16 × 105/M at room temperature. The two-photon active cross-section of IPTPA was calculated with a value of 94.68 GM at 800 nm in the tris-HCl buffer solution. The binding mechanism between IPTPA and Ag+ were explored by the Job plot, ESI-MS and 1H NMR. The A-π-D-π-A structure of IPTPA was substituted by the A-π-D-π-D structure of IPTPA-Ag to improve the fluorescence. Furthermore, the fluorescence microscopy images indicated that IPTPA could detect Ag+ in living cells.

In-stent restenosis after stent deployment remains an obstruction in the long-term benefits of stenting. This study sought to investigate the influence of the relation between stent length and lesion length on the mechanics of the arterial wall with different geometries, including straight and tapered vessels. Results showed that when the length of the stent was longer than the lesion length, the maximum stress in plaque and vessel increased as the length of stent increased. When the length of the stent was shorter than the lesion length, the vessel stress induced by stent inflation was lower; both ends of the stenosis plaque could not be fully expanded. When the length of the stent was equal to the lesion length, the plaque and vessel stress induced by stent inflation was minimal, and stent foreshortening was minimal. Compared with the straight vessel, the stent implantation in the tapered vessel with the same stent length resulted in greater stress in vessel and plaque, an increased stent recoil, and a decreased stent foreshortening. When the length of the stent is equal to lesion length, it may be the reasonable choice for straight vessels and tapered vessels. Conclusions drawn from this article can help surgeons to choose appropriate stent lengths.

Building folded short peptides that are driven by the intramolecular hydrogen bonding in aqueous solutions remains challenging because of their highly competitive intermolecular hydrogen-bonding interactions with water solvent molecules that would have favored the extended conformations. Here, we show folded β-turn structures in acyl amino acid-based N-amidothioureas, the nonclassic azapeptides, in aqueous solutions, as well as in solid-state and organic solvents, by X-ray crystal structures, DFT calculations, 1D and 2D NMR spectra, and absorption and CD spectra. The achiral phenylthiourea chromophore acts as a CD reporter for the β-turn structure that communicates the chirality of the amino acid residue to the achiral thiourea moiety and the relative intensity of the intramolecular hydrogen bond that stabilizes the turn structure. The amidothiourea moiety represents a versatile structural framework for folded short peptides in aqueous environments.

The geometrical and contact nonlinearities in tubular buckling problem lead to convergence difficulty in calculation. To solve this problem, we present a slow dynamic method and its solution strategies for the nonlinear static buckling analysis based on the implicit finite element method. For different length and boundary conditions, we calculate the length of each section of the helical buckling configuration. To measure the pitch of helical buckling, we introduce two methods. The first method is to use the spiral angle between the bottom and top contact points to measure the pitch, and the second method is to use the spiral angle of the continuous contact section to measure the pitch. For the first method, the string has three types of buckling configurations for different boundary conditions without the tensile section. With the tensile section, the helical buckling configuration is composed of the bottom compressed section, the middle helically buckled section, the top compressed section and the tensile section for the hinged or clamped boundary at both ends. For the second method, the buckling configuration consists of four non-contact sections, one continuous contact section without the tensile section. A tension section is added to the buckling configuration for the influence of the tension section. The critical load decreases gradually and tends to the minimum with the effect of the tension section. Since the critical load of the second methods is greater than the value of the first one, it is recommended that the former method be adopted in engineering applications.

The effects of solution temperature and Cu content on the properties and microstructure of Sm (CobalFe0.21CuxZr0.03)7.6 (x = 0.06, 0.08, 0.10) permanent magnets were investigated systematically. The results showed that TbCu7 single-phase was obtained after solution treatment at optimum temperature. The best magnetic properties of Br = 1.010 T and (BH)max = 190.2 kJ/m3 were obtained for Sm (CobalFe0.21Cu0.08Zr0.03)7.6 by a proper solution treatment at 1478 K. At a lower solution temperature, the Co-rich FeCoZr phase was monitored, and a “step” was observed in the demagnetization curves of aged samples. At a higher solution temperature, composition segregation of the matrix gradually occurs, and a Zr-rich SmCoZr phase was found. However, at a slightly higher solution temperature with superabundant Cu, the precipitated phase remained FeCoZr phase, resulting in a worse remanence. All the above changes were related to the cellular structures.

In recent years, conjugated polymers (CPs) and their nanoparticles (CPNs) were widely concerned and applied in many fields due to their outstanding advantages such as higher absorption coefficients, good photostability, low toxicity and good biocompatibility. However, most reports were focused on their applications, and rare attentions were given on the synthesis of CPs and the effect factors of CPNs’ morphology and properties. In this work, four CPs (P1, P2, P3, P4) with different length side chains were synthetized by Wittig–Horner reaction and further used to prepare CPNs by the nano-precipitation method. The CPs and CPNs were characterized and analyzed by Hydrogen Nuclear Magnetic Resonance (1H NMR), gel permeation chromatography (GPC), Fourier transform infrared spectroscopy (FTIR), dynamic light scattering (DLS) and transmission electron microscope (TEM). The absorbance and fluorescence emission spectra of CPs in tetrahydrofuran (THF) and CPNs solutions with different length side chains were investigated, and their quantum yields (Фs) were calculated by the reference method. The results showed that the synthetic CPs have narrow polydispersity index. Some interesting phenomenon appeared with the increased side chain length. The molecular weights will reduce except P3, and the absorbance and fluorescence emission spectra of CPs and CPNs are red-shifted. Фs are better and enlarged for CPs and CPNs, and better dispersion and uniform size were founded with longer side chains.

In order to find more active anti-neuroinflammatory sinomenine derivatives, 17 sinomenine 4-hydroxy esters were designed and prepared. All synthesized derivatives were structurally confirmed by ESI-MS and PMR. Their anti-neuroinflammatory effects were evaluated using LPS-stimulated BV-2 microglia cells. Among them, four compounds presented more than 80% of cell viability. Compound 8 showed remarkable inhibition of nitric oxide (NO) release by the Griess method. Furthermore, esters 5–9 were tested to check their suppressive effects on xylene-induced ear edema. It was observed that 8 was more active and less toxic than 5–7 with shorter aliphatic chains.

Traditionally, fluorescence probes have focused on the detection of a single biomarker for a specific process. In this work, we set out to develop a number of fluorescence probes that enable the detection of a chosen analyte in the presence of reactive oxygen/nitrogen species (ROS/RNS). These fluorescence probes when activated result in the formation of the highly fluorescent pink dye, resorufin. Therefore, we have labelled these fluorescent probes as ‘Pinkments’. Our first ‘Pinkment’ was shown to detect biologically relevant concentrations of ONOO− and have an excellent selectivity against other ROS/RNS. Pinkment-OH was developed to provide a core unit which could be easily functionalised to produce a range of ‘AND’ based fluorescence probes for the detection of ROS/RNS and a second analyte. For proof of concept, we synthesised Pinkment-OTBS and Pinkment-OAc. These ‘AND’-based probes were successfully shown to detect ROS/RNS and F− or esterase, respectively.

It is significant to derive an appropriate cadmium (Cd) threshold for the rice to ensure that the Cd concentration of rice grains meets the food safety standards. In the present study, soil thresholds for Cd were derived using the method of species sensitivity distribution based on aging time, cultivars, and soil properties. Dataset from thirty-nine rice cultivars planted in different soils published in literature of five bibliographic databases were screened using designated search strings to explore their differences in Cd accumulation capacity in paddy soil. The empirical soil-plant transfer model was used to normalize the bioaccumulation data. Later, the soil Cd concentration for protecting 95% (HC5) of the cultivars was calculated using species sensitivity distribution curves fitted by the Burr III function. The soil Cd criteria derived from the added approach for risk assessment were proposed as continuous criteria based on the combination of soil pH and organic carbon in soil. Soil Cd criteria ranged from 0.34 to 1.18 mg/kg. The prediction model for HC5 was applied to field experimental data to validate its validity and applicability. The predicted Cd thresholds were less than the field experiment Cd thresholds. In conclusion, this study provided valuable and scientific bases for setting soil Cd criteria for paddy soils.

Based on an analytical formulation for the size-dependent melting temperature, a simple thermodynamic model has been developed to describe the surface energy of nanocrystals γ ( D ). The results show that, for face-centered cubic, body-centered cubic and hexagonal close packing metals, γ ( D ) of nanocrystals/nanocavities decreases/increases as D drops. The effect of surface broken-bond number on γ ( D ) has also been discussed. It is found that reducing the number of surface broken-bonds will slow down the decrease of γ ( D ). For facets of nanocrystals with different broken-bond number, the difference in size-dependent surface bond contraction determines the variation intensity of surface energy. The model has also been used to describe γ ( D ) of semiconductor Si nanocavities and bimetallic alloys nanocrystals. The predictions are in good agreement with the reported data and other theory model predictions.

In addition to seeking profit maximization, reverse supply chains should further seek to maximize social benefit. Consequently, this paper investigates the coordination strategies among different parties in a three-echelon reverse supply chain consisting of a single collector, a single remanufacturer, and two retailers with complete information sharing. Additionally, this paper discusses four coordination strategies and performs a detailed comparative analysis on the optimal decisions of different models. Three numerical analyses are performed to show how the potential market demand of remanufactured products and the utilization ratio of used products affect the optimal total channel profit, recycle quantity and retail prices among four models in a reverse supply chain. The results indicate that optimal total channel profit and recycle quantity in a reverse supply chain are maximized in a centralized model. With the same potential market demand of remanufactured products and utilization ratio of used products, a centralized model maximizes the economic and social benefit compared to the other three models.

The paper applies the commercial software ABAQUS to establish numerical models of an original single-storey building and a reinforced building, and conducts experimental test to verify correctness of the computation models. Damages and dynamic characteristics of two kinds of models under seismic effects are studied systematically. X-direction acceleration amplitudes of the wall obviously exceeded those in Y direction. In the same horizontal direction, accelerations of the left wall obviously exceeded those of the right wall. Compared with the original model, the X-direction acceleration amplitude is decreased by 15.4 %, and the Y-direction acceleration amplitude is decreased by 49 % in the left wall of the reinforced model. As for right wall of the reinforced model, the X-direction acceleration amplitude is decreased by 30.4 %, and the Y-direction acceleration amplitude is decreased by 17.6 %. In the X direction, the power amplification factors of the reinforced model were less than those of the original model, and the value was decreased by 30 % for the power amplification factors corresponding to 1.3 g. In the Y direction, the power amplification factors of the reinforce model were less than those of the original model under different seismic effects, wherein the value of the reinforced model was decreased by 33 % for the power amplification factors corresponding to 1.3 g compared with the original model. Under the seismic effect of 0.1 g, damages took place to four wall bodies of the model at earliest, but its value was small. With increased seismic input excitation, damage degree of the wall bodies was also gradually increased. Under the seismic effect of 0.8 g, damages to four wall bodies were serious. Under seismic effect of 1.3 g, damage values of 4 wall bodies reached the maximum value 0.99, and the single-storey building will fail. Damages values of four wall bodies of the original model were relatively concentrated; while damage values of four wall bodies of the reinforced model were disperse. Under each seismic effect, the overall damage value was smaller than that of the reinforced model. This result fully indicates that reinforcement can reduce damages of wall bodies and generate anti-seismic effects.

The aging of metals added to soil is significant in ecological risk assessment and the derivation of soil environmental quality criteria. Semimechanistic aging models have been developed for some metals, but not for zinc (Zn). In the present study, a published dataset detailing the changes in isotopic exchangeability with time, after water-soluble Zn was added to 23 soils and incubated for 813 d, was used to analyze the effect of soil properties on aging and develop empirical and mechanistic models. Aging was mainly controlled by soil pH, probably because of precipitation, and was linearly correlated with the square root of incubation time, probably as a result of diffusion. Based on precipitation, diffusion, and/or occlusion, semimechanistic aging models were developed using a Zn hydrolysis constant of 6.52 to 6.61, apparent diffusion rate coefficient (D/r2 ) of 1.41 × 10-5 /d, and a root mean square error of less than 15%. The optimized models were accurately validated by 4 independent field-incubated soils, with different doses of Zn under different conditions (the differences between measured and predicted isotopically exchangeable Zn were less than 10%). This enabled an understanding of the long-term behavior of Zn added to soils, and the results can be used for environmental risk assessments and the normalization of ecotoxicity datasets in the derivation of soil environmental quality criteria. Environ Toxicol Chem 2017;36:2925-2933. © 2017 SETAC.

Based on the inner-effect mechanism of transport infrastructure and regional economic growth, this paper builds a specialized spatial weight matrix by utilizing the panel data from 31 provinces in New Silk Road Economic Belt (NSREB) and other areas from 2005 to 2014, and combines with the spatial panel model to analyze the spatial spillover effects of transport infrastructure. According to the analysis, the transport infrastructure plays an obvious lead role in regional economy growth alongside the NSREB, and the economic growth invigorates common development in surrounding regions. In addition, differences were observed among the different transport infrastructure with regard to their influences on regional economic development, as the highway transport affects regional economic growth to a larger degree than railway transport.

Reversible covalent binding of boronic acids with polyols and Lewis bases has facilitated the development of robust chemosensors for many biologically important species under physiologically or environmentally relevant conditions. This minireview covers selected examples of advances reported in this area from 2014 to 2016. While the discovery of new boron-containing binding motifs and identification of new analytical targets have expanded the ultility of boronic acid-based molecular recognition, unconventional sensing strategies such as exploitation of nanoscale self-assembly, multicomponent dynamic covalent assembly, and coupling boronate ester formation with a further chemical reaction have led to significantly improved sensor performance, enabling real-world applications in various areas such as cell biology and asymmetric catalysis.

In this work, polyaniline (PANI)/cotton composite was prepared by in-situ oxidative polymerization and applied to remove Cr (VI) in solution. The as-prepared composite shows a high Cr (VI) removal rate (93.81%) at pH=2. Meanwhile, the adsorption kinetics follows the pseudo-second-order rate equation and the adsorption isotherm data fits well to the Langmuir isothermal model.

Herein, we report a conformation switching-based fluorescence sensing scheme using dipeptide-based amidothioureas (azapeptides) that contain a folded β-turn structure. Amidothiourea is equipped at its two termini with an electron acceptor and an electron donor or two fluorophores, such that it exhibits enhanced exciplex or excimer emission because of the turn structure in which the two termini are brought into close proximity; on the other hand, it exhibits a dramatic ratiometric fluorescence response upon anion binding to the thiourea moiety because of the resultant extended conformation of the anion binding complex.

We report that in the Ag+ coordination polymers of a chiral thiol ligand containing an AIE fluorophore, tetraphenylethene (TPE), the TPE chromophores experience H-type aggregation, and yet a substantial enhancement of the fluorescence is observed, though to a lesser extent than that in the aggregates of the thiol ligand itself, which undergoes J-type aggregation. We show that this is not due to the difference in the freedom of the rotation of the fluorophore in the two types of aggregate, but is due to a small increase in the radiation rate constant in the coordination polymers while the much higher radiationless rate constant remains more or less unchanged.

The increasing accumulation of zinc (Zn) in agricultural soils has led to the need to assess the potential risk of this element for terrestrial organisms. However, the soil ecological criteria in agricultural soil as a function of soil properties have been sparsely reported. In the present study, we derived the ecological criteria (expressed as predicted no effect concentration (PNEC)) for Zn in soils, based on ecotoxicity data for 19 terrestrial species in Chinese soils, the effect of soil properties on Zn ecotoxicity, differences in species sensitivity, and differences between laboratory and realistic field conditions. First, all ecotoxicity data of Zn for terrestrial organisms in Chinese soils were collected and filtered with given criteria to obtain reliable database. Second, the ecotoxicity data were normalized using Zn ecotoxicity predictive models to eliminate the effect of soil properties on Zn ecotoxicity, and corrected with leaching and aging factors to minimize the differences in Zn ecotoxicity under laboratory and field conditions. Then, species sensitivity distribution (SSD) curves were generated with a Burr Ⅲ function based on corrected ecotoxicity data. The concentration of Zn in soil that provides ecological safety for (100 − x)% of species (HCx), was calculated from the SSD curve and HC5 was used for estimation of PNEC. Finally, we developed the predictive models for HCx by quantifying the relationship between the Zn HCx and soil properties. Results showed that soil pH was the most crucial factor affecting Zn HCx values, with HC5 values varying from 38.3 mg/kg in an acidic soil to 263.3 mg/kg in an alkaline calcareous soil. Both the two-factor (soil pH and OC) and the three-factor (soil pH, OC and CEC) models predicted HCx values well, with determination coefficients (R2) of 0.941–0.959 and 0.978–0.982, respectively. This study provides a scientific and reliable basis for the improvement of ecological risk assessment and the establishment of soil environmental quality standards.

The purpose of this study was to elucidate the influence of terroir on the polyphenolic compounds, total antioxidant and aroma components of Cabernet Sauvignon red wines from five different wine-producing regions in China. The results obtained showed that the phenols concentrations and total antioxidant capacities from new wine 1 (NW1) were significantly the highest among five regional wines, the latter were new wine 3 (NW3), old wine 1 (OW1) and new wine 2 (NW2), these parameters in old wine 2 (OW2) were the lowest. But the contents of total anthocyanins in the NW2 was higher than both OW1 and NW3. All 58 and 51 volatile components were separately detected in three “new regions” and two “old regions” wines, the volatile fraction was constituted mainly alcohols, esters and acids. According to odor descriptor of these compounds, cheese, floral and fruity aroma was conferred the three new regional wines. The phenol, total antioxidant capacity and aroma components of Cabernet Sauvignon wines can be affected by environmental factors of terroirs in the different extent; three “new regions” have a big potential for producing high quality Cabernet Sauvignon wines.

The formation of well-defined finite-sized aggregates represents an attractive goal in supramolecular chemistry. In particular, construction of discrete π-stacked dye assemblies remains a challenge. Reported here is the design and synthesis of a novel type of discrete π-stacked aggregate from two comparable perylenediimide (PDI) dyads (PEP and PBP). The criss-cross PEP-PBP dimers in solution and (PBP-PEP)-(PEP-PBP) tetramers in the solid state are well elucidated using single-crystal X-ray diffraction, dynamic light scattering, and diffusion-ordered NMR spectroscopy. Extensive π–π stacking between the PDI units of PEP and PBP as well as repulsive interactions of swallow-tailed alkyl substituents are responsible for the selective formation of discrete dimer and tetramer stacks. Our results reveal a new approach to preparing discrete π stacks that are appealing for making assemblies with well-defined optoelectronic properties.