TMPRSS13 promotes the cell entry of swine acute diarrhea syndrome coronavirus.

Swine acute diarrhea syndrome coronavirus (SADS-CoV) has caused severe intestinal diseases in pigs. It originates from bat coronaviruses HKU2 and has a potential risk of cross-species transmission, raising concerns about its zoonotic potential. Viral entry-related host factors are critical determinants of susceptibility to cells, tissues, or species, and remain to be elucidated for SADS-CoV. Type II transmembrane serine proteases (TTSPs) family is involved in many coronavirus infections and has trypsin-like catalytic activity. Here we examine all 18 members of the TTSPs family through CRISPR-based activation of endogenous protein expression in cells, and find that, in addition to TMPRSS2 and TMPRSS4, TMPRSS13 significantly facilitates SADS-CoV infection. This is confirmed by ectopic expression of TMPRSS13, and specific to trypsin-dependent SADS-CoV. Infection with pseudovirus bearing SADS-CoV spike protein indicates that TMPRSS13 acts at the entry step and is sensitive to serine protease inhibitor Camostat. Moreover, both human and pig TMPRSS13 are able to enhance the cell-cell membrane fusion and cleavage of spike protein. Overall, we demonstrate that TMPRSS13 is another host serine protease promoting the membrane-fusion entry of SADS-CoV, which may expand its host tropism by using diverse TTSPs.

Exploring the Dynamics of Charge Transfer in Photocatalysis: Applications of Femtosecond Transient Absorption Spectroscopy.

Artificial photocatalytic energy conversion is a very interesting strategy to solve energy crises and environmental problems by directly collecting solar energy, but low photocatalytic conversion efficiency is a bottleneck that restricts the practical application of photocatalytic reactions. The key issue is that the photo-generated charge separation process spans a huge spatio-temporal scale from femtoseconds to seconds, and involves complex physical processes from microscopic atoms to macroscopic materials. Femtosecond transient absorption (fs-TA) spectroscopy is a powerful tool for studying electron transfer paths in photogenerated carrier dynamics of photocatalysts. By extracting the attenuation characteristics of the spectra, the quenching path and lifetimes of carriers can be simulated on femtosecond and picosecond time scales. This paper introduces the principle of transient absorption, typical dynamic processes and the application of femtosecond transient absorption spectroscopy in photocatalysis, and summarizes the bottlenecks faced by ultrafast spectroscopy in photocatalytic applications, as well as future research directions and solutions. This will provide inspiration for understanding the charge transfer mechanism of photocatalytic processes.

CO2 Absorption Mechanism by the Deep Eutectic Solvents Formed by Monoethanolamine-Based Protic Ionic Liquid and Ethylene Glycol.

Deep eutectic solvents (DESs) have been widely used to capture CO2 in recent years. Understanding CO2 mechanisms by DESs is crucial to the design of efficient DESs for carbon capture. In this work, we studied the CO2 absorption mechanism by DESs based on ethylene glycol (EG) and protic ionic liquid ([MEAH][Im]), formed by monoethanolamine (MEA) with imidazole (Im). The interactions between CO2 and DESs [MEAH][Im]-EG (1:3) are investigated thoroughly by applying 1H and 13 C nuclear magnetic resonance (NMR), 2-D NMR, and Fourier-transform infrared (FTIR) techniques. Surprisingly, the results indicate that CO2 not only binds to the amine group of MEA but also reacts with the deprotonated EG, yielding carbamate and carbonate species, respectively. The reaction mechanism between CO2 and DESs is proposed, which includes two pathways. One pathway is the deprotonation of the [MEAH]+ cation by the [Im]- anion, resulting in the formation of neutral molecule MEA, which then reacts with CO2 to form a carbamate species. In the other pathway, EG is deprotonated by the [Im]-, and then the deprotonated EG, HO-CH2-CH2-O-, binds with CO2 to form a carbonate species. The absorption mechanism found by this work is different from those of other DESs formed by protic ionic liquids and EG, and we believe the new insights into the interactions between CO2 and DESs will be beneficial to the design and applications of DESs for carbon capture in the future.

Polyamine-Responsive Morphological Transformation of a Supramolecular Peptide for Specific Drug Accumulation and Retention in Cancer Cells.

The precise accumulation and extended retention of nanomedicines in the tumor tissue has been highly desired for cancer therapy. Here a novel supramolecular-peptide derived nanodrug (SPN) that can be transformed to microfibers in response to intracellular polyamine in cancer cells for significantly enhanced tumor specific accumulation and retention is developed. The supramolecular-peptide is constructed via the non-covalent interactions between cucurbit[7]uril (CB[7]) and Phe on Phe-Phe-Val-Leu-Lys-camptothecin conjugates (FFVLK-CPT, PC). The resultant amphiphilic supramolecular complex subsequently self-assembles into nanoparticles with a hydrodynamic diameter of 164.2 ± 3.7 nm. Upon internalization into spermine-overexpressed cancer cells, the CB[7]-Phe host-guest pairs can be competitively dissociated by spermine and can release free PC, which immediately form ß-sheet structures and subsequently reorganize into microfibers, leading to dramatically improved accumulation, retention, and sustained release of CPT in tumor cells for highly effective cancer therapy. Accordingly, this SPN exhibit rather low toxicity against non-cancerous cells due to the morphological stability and fast exocytosis of the nanodrugs in those cells without abundant spermine. This study reports the first supramolecular peptide capable of polyamine-responsive "nanoparticle-to-microfiber" transformation for specific tumor therapy with minimal side effects. This work also offers novel insights to the design and development of stimuli-responsive nanomaterials as precision medicine.

Recent advances in the synthesis of indolizine and its derivatives by radical cyclization/cross-coupling.

Indolizine is a nitrogen-containing heterocycle that has a variety of potential biological activities, and some indolizine derivatives with excellent fluorescence properties can even be used as organic fluorescent molecules for biological and material applications. Thus, many approaches for their synthesis have been developed. Among them, radical-induced synthetic approaches are receiving increasing attention owing to their unique advantages, such as efficient heterocycle construction, efficient C-C or C-X bond construction, and high atom- and step-economy. This review systematically examines the current and latest synthetic strategies using radical species or radical intermediates for synthesizing indolizines and their derivatives. This review is classified into two parts based on the type of building blocks used for indolizine ring construction and the type of radical trigger for indolizine derivative construction. We anticipate that this review will provide a deep understanding of this topic, and ultimately help researchers to develop novel approaches for the synthesis of indolizine and its derivatives.

Xanthohumol Is a Potent Pan-Inhibitor of Coronaviruses Targeting Main Protease.

Coronaviruses cause diseases in humans and livestock. The SARS-CoV-2 is infecting millions of human beings, with high morbidity and mortality worldwide. The main protease (Mpro) of coronavirus plays a pivotal role in viral replication and transcription, which, in theory, is an attractive drug target for antiviral drug development. It has been extensively discussed whether Xanthohumol is able to help COVID-19 patients. Here, we report that Xanthohumol, a small molecule in clinical trials from hops (Humulus lupulus), was a potent pan-inhibitor for various coronaviruses by targeting Mpro, for example, betacoronavirus SARS-CoV-2 (IC50 value of 1.53 µM), and alphacoronavirus PEDV (IC50 value of 7.51 µM). Xanthohumol inhibited Mpro activities in the enzymatical assays, while pretreatment with Xanthohumol restricted the SARS-CoV-2 and PEDV replication in Vero-E6 cells. Therefore, Xanthohumol is a potent pan-inhibitor of coronaviruses and an excellent lead compound for further drug development.

A Facile Strategy for Fabrication Lysozyme-Loaded Mesoporous Silica Nanotubes from Electrospun Silk Fibroin Nanofiber Templates.

This paper presents a facile and low-cost strategy for fabrication lysozyme-loaded mesoporous silica nanotubes (MSNTs) by using silk fibroin (SF) nanofiber templates. The "top-down method" was adopted to dissolve degummed silk in CaCl2/ formic acid (FA) solvent, and the solution containing SF nanofibrils was used for electrospinning to prepare SF nanofiber templates. As SF contains a large number of -OH, -NH2 and -COOH groups, the silica layer could be easily formed on its surface by the Söber sol-gel method without adding any surfactant or coupling agent. After calcination, the MSNTs were obtained with inner diameters about 200 nm, the wall thickness ranges from 37 ± 2 nm to 66 ± 3 nm and the Brunauer-Emmett-Teller (BET) specific surface area was up to 200.48 m2/g, the pore volume was 1.109 cm3/g. By loading lysozyme, the MSNTs exhibited relatively high drug encapsulation efficiency up to 31.82% and an excellent long-term sustained release in 360 h (15 days). These results suggest that the MSNTs with the hierarchical structure of mesoporous and macroporous will be a promising carrier for applications in biomacromolecular drug delivery systems.

The PERK Arm of the Unfolded Protein Response Negatively Regulates Transmissible Gastroenteritis Virus Replication by Suppressing Protein Translation and Promoting Type I Interferon Production.

Coronavirus replication is closely associated with the endoplasmic reticulum (ER), the primary cellular organelle for protein synthesis, folding, and modification. ER stress is a common consequence in coronavirus-infected cells. However, how the virus-induced ER stress influences coronavirus replication and pathogenesis remains controversial. Here, we demonstrated that infection with the alphacoronavirus transmissible gastroenteritis virus (TGEV) induced ER stress and triggered the unfolded protein response (UPR) in vitro and in vivo, and ER stress negatively regulated TGEV replication in vitro Although TGEV infection activated all three UPR pathways (activating transcription factor 6 [ATF6], inositol-requiring enzyme 1 [IRE1], and protein kinase R-like ER kinase [PERK]), the virus-triggered UPR suppressed TGEV replication in both swine testicular (ST) and IPEC-J2 cells primarily through activation of the PERK-eukaryotic initiation factor 2α (eIF2α) axis, as shown by functional studies with overexpression, small interfering RNA (siRNA), or specific chemical inhibitors. Moreover, we demonstrated that PERK-eIF2α axis-mediated inhibition of TGEV replication occurs through phosphorylated eIF2α-induced overall attenuation of protein translation. In addition to direct inhibition of viral production, the PERK-eIF2α pathway activated NF-κB and then facilitated type I IFN production, resulting in TGEV suppression. Taken together, our results suggest that the TGEV-triggered PERK-eIF2α pathway negatively regulates TGEV replication and represents a vital aspect of host innate responses to invading pathogens.IMPORTANCE The induction of ER stress is a common outcome in cells infected with coronaviruses. The UPR initiated by ER stress is actively involved in viral replication and modulates the host innate responses to the invading viruses, but these underlying mechanisms remain incompletely understood. We show here that infection with the alphacoronavirus TGEV elicited ER stress in vitro and in vivo, and the UPR PERK-eIF2α branch was predominantly responsible for the suppression of TGEV replication by ER stress. Furthermore, the PERK-eIF2α axis inhibited TGEV replication through direct inhibition of viral proteins due to global translation inhibition and type I IFN induction. These findings highlight a critical role of the UPR PERK-eIF2α pathway in modulating host innate immunity and coronavirus replication.

The Coronavirus Transmissible Gastroenteritis Virus Evades the Type I Interferon Response through IRE1α-Mediated Manipulation of the MicroRNA miR-30a-5p/SOCS1/3 Axis.

In host innate immunity, type I interferons (IFN-I) are major antiviral molecules, and coronaviruses have evolved diverse strategies to counter the IFN-I response during infection. Transmissible gastroenteritis virus (TGEV), a member of the Alphacoronavirus family, induces endoplasmic reticulum (ER) stress and significant IFN-I production after infection. However, how TGEV evades the IFN-I antiviral response despite the marked induction of endogenous IFN-I has remained unclear. Inositol-requiring enzyme 1 α (IRE1α), a highly conserved ER stress sensor with both kinase and RNase activities, is involved in the IFN response. In this study, IRE1α facilitated TGEV replication via downmodulating the host microRNA (miR) miR-30a-5p abundance. miR-30a-5p normally enhances IFN-I antiviral activity by directly targeting the negative regulators of Janus family kinase (JAK)-signal transducer and activator of transcription (STAT), the suppressor of cytokine signaling protein 1 (SOCS1), and SOCS3. Furthermore, TGEV infection increased SOCS1 and SOCS3 expression, which dampened the IFN-I antiviral response and facilitated TGEV replication. Importantly, compared with mock infection, TGEV infection in vivo resulted in decreased miR-30a-5p levels and significantly elevated SOCS1 and SOCS3 expression in the piglet ileum. Taken together, our data reveal a new strategy used by TGEV to escape the IFN-I response by engaging the IRE1α-miR-30a-5p/SOCS1/3 axis, thus improving our understanding of how TGEV escapes host innate immune defenses.IMPORTANCE Type I interferons (IFN-I) play essential roles in restricting viral infections. Coronavirus infection induces ER stress and the interferon response, which reflects different adaptive cellular processes. An understanding of how coronavirus-elicited ER stress is actively involved in viral replication and manipulates the host IFN-I response has remained elusive. Here, TGEV inhibited host miR-30a-5p via the ER stress sensor IRE1α, which led to the increased expression of negative regulators of JAK-STAT signaling cascades, namely, SOCS1 and SOCS3. Increased SOCS1 or SOCS3 expression impaired the IFN-I antiviral response, promoting TGEV replication. These findings enhance our understanding of the strategies used by coronaviruses to antagonize IFN-I innate immunity via IRE1α-mediated manipulation of the miR-30a-5p/SOCS axis, highlighting the crucial role of IRE1α in innate antiviral resistance and the potential of IRE1α as a novel target against coronavirus infection.

Achieving Strong Positive Cooperativity through Activating Weak Non-Covalent Interactions.

Positive cooperativity achieved through activating weak non-covalent interactions is common in biological assemblies but is rarely observed in synthetic complexes. Two new molecular tubes have been synthesized and the syn isomer binds DABCO-based organic cations with high orientational selectivity. Surprisingly, the ternary complex with two hosts and one guest shows a high cooperativity factor (α=580), which is the highest reported for synthetic systems without involving ion-pairing interactions. The X-ray single-crystal structure revealed that the strong positive cooperativity likely originates from eight C-H⋅⋅⋅O hydrogen bonds between the two head-to-head-arranged syn tube molecules. These relatively weak hydrogen bonds were not observed in the free hosts and only emerged in the complex. Furthermore, this complex was used as a basic motif to construct a robust [2+2] cyclic assembly, thus demonstrating its potential in molecular self-assembly.

Synergistically enhanced discharged energy density and efficiency achieved in designed polyetherimide-based composites via asymmetrical interlayer structure induced optimized interface effectiveness.

The continuous advancement in energy storage technologies necessitates the iteration of energy storage dielectrics urgently. However, the current state-of-the-art composite films fail to meet the application requirements of energy storage devices, which demand a combination of high discharged energy density (Ue), high energy storage efficiency (η), and excellent high-temperature performance. To address this challenge, we present an innovative interlayer composed of pure BN nanosheets in polyetherimide (PEI)-based asymmetrical multilayered composites doped with Na0.5Bi0.5TiO3 ceramic fibers. This innovative structure confers the PEI-based composites upon synergistic optimization of polarization intensity, breakdown strength and energy loss by designed interface effectiveness adopting tailored filler and interface configuration as modulation means, which can be further confirmed by finite element simulations and comparative experiments. The resultant composite film achieves an excellent Ue of 22.95 J cm-3 and an ultra-high η of 96.81% at ambient temperature, along with high-temperature performances of 12.88 J cm-3 and 79.26% at 150 °C, surpassing all previously reported polymer films in terms of both metrics. This study provides new insights for developing high-performance energy storage dielectrics suitable for practical applications.

Enhanced Energy Storage Properties of Four-Layer Composite Films via Strategic Macrointerface Modulation.

Dielectric capacitors play a crucial role in the field of energy storage; however, the low discharged energy density (Ue) of existing commercial dielectrics limits their future applications. Currently, further improvement in the Ue of dielectrics is constrained by the challenge of simultaneously achieving high permittivity (εr) and high breakdown electric field strength (Eb). To address this issue, we designed a series of four-layer poly(vinylidene fluoride) (PVDF)-based composite films comprising three functional layers: a sodium bismuth titanate (NBT) plus PVDF composite (NBT&PVDF) layer to achieve high εr values and a pure PVDF layer and a boron nitride (BN) plus PVDF composite (BN&PVDF) layer to achieve high Eb values. This design synergistically enhanced the εr and Eb values of the composite films by exploiting low-loss macrointerface polarization via adjustment of the functional layer stacking order, as supported by simulation analyses. Ultimately, the composite film with a topmost layer of pure PVDF, followed by an NBT&PVDF layer, another pure PVDF layer, and a BN&PVDF layer achieved an enhanced Ue value of 26.42 J·cm-3 and excellent efficiency of 80.03% at an ultrahigh Eb value of 770 MV·m-1. This approach offers an innovative pathway for developing advanced energy storage composite dielectrics via macrointerface manipulation.

Amide naphthotube as a novel supramolecular sequestration agent for tetracaine and decamethonium.

RATIONALE: Anesthetics are widely used for optimizing surgical conditions, postoperative pain management, and treating various chronic pain conditions. Tetracaine and decamethonium are representative drugs of local anesthetics and neuromuscular blocking agents, respectively. However, overdose and toxicity of the drugs always lead to serious adverse events. Thus, there is a strong demand for effective antidotes. METHODS: The binding interactions of amide naphthotubes with tetracaine and decamethonium were systematically studied using 1H NMR, ITC, and DFT calculations. The antidotal effects of amide naphthotube to tetracaine toxicity were assessed in vitro and in vivo, and the mechanism of detoxification was explored at a cellular level. Additionally, mouse models were established to evaluate the reversal activities of amide naphthotube on decamethonium-induced mortality and muscle relaxation, and the reversal mechanism was investigated through pharmacokinetic experiments. RESULTS: We have demonstrated that the anti-isomer of amide naphthotube exhibits significant binding affinities towards tetracaine (K a = 1.89×107 M-1) and decamethonium (K a = 1.01×107 M-1) in water. The host displayed good biocompatibility both in vitro and in vivo. The administration of amide naphthotube following tetracaine overdose in mouse models notably increased the overall survival rate, indicating its effective antidotal properties. The host could reverse the tetracaine-induced Na+ channels blockage at the cellular level. Moreover, the injection of amide naphthotube also reversed the mortality and paralysis induced by decamethonium in mouse models following a pharmacokinetic mechanism. CONCLUSION: An emerging artificial receptor, amide naphthotube, has strong binding affinities towards tetracaine and decamethonium. It functions as a supramolecular antidote for tetracaine poisoning and a reversal agent for decamethonium by selectively sequestering these compounds in vivo.

[Accumulation Characteristics and Influencing Factors of Heavy Metals in Cultivated Land Surface Soil in Lanzhou].

In this study, As, Cd, Cr, Hg, and Pb in the surface soil of cropland in Lanzhou were studied, and the combination of descriptive statistics, single-factor accumulation index, comprehensive accumulation index, geostatistical method, and a geographically weighted regression model (GWR) was used to investigate their accumulation status, spatial distribution, and influencing factors, in order to provide scientific basis for the precise control of heavy metal accumulation risk in the study area. The results showed that:①the single-factor accumulation index showed that the accumulation of Hg and Cd in the study area was the largest, followed by that of Pb and As, and that of Cr was the smallest; the comprehensive accumulation index showed that the accumulation rate of heavy metals was as high as 98.11%, of which 54.81% was mild accumulation and 43.30% was moderate and above accumulation. However, there was no heavy metal pollution in the surface soil of cultivated land in Lanzhou. ② Spatial autocorrelation analysis showed that there was no heavy metal pollution in the surface soil of Lanzhou, but there was accumulation in a few areas. The spatial autocorrelation analysis showed that the spatial autocorrelation of the Cr, Hg, and Pb single-factor accumulation indices was moderate, indicating that they were influenced by both random and structural factors; the spatial autocorrelation of the other two heavy metals was weak, indicating that they were mainly influenced by random factors, among which human factors were more influential. The Hg single-factor accumulation index was high in the middle and low in the fourth; the integrated accumulation index increased from northwest to southeast and decreased from the middle to both sides. ③ Geographically weighted regression (GWR) analysis showed that altitude, slope length, distance from rivers, soil organic matter (SOM) content, precipitation, air temperature, and surface temperature all showed positive driving effects, whereas the rest of the factors showed negative driving effects and significant spatial heterogeneity and instability (P<0.05). The magnitudes of the factor effects were in the order of soil characteristics>topographic characteristics>climate characteristics>location characteristics>socioeconomic characteristics>vegetation characteristics, with the largest contribution of SOM content, followed by that of altitude and air temperature, and the smallest of normalized difference vegetation index (NDVI) values. Compared with the other feature factors, the location feature factors had stronger spatial heterogeneity.

Highly stretchable, self-healing and conductive silk fibroin-based double network gels via a sonication-induced and self-emulsifying green procedure.

Regenerated silk fibroin (RSF)-based hydrogels are promising biomedical materials due to their biocompatibility and biodegradability. However, the weak mechanical properties and lack of functionality limit their practical applications. Here, we developed a tough and conductive RSF-based double network (DN) gel, consisting of a sonication-induced ß-sheet physically crosslinked RSF/S gel as the first network and a hydrophobically associated polyacrylamide/stearyl methacrylate (PAAm/C18) gel as the second network. In particular, the cross-linking points of the second network were micelles formed by emulsifying the hydrophobic monomer (C18M) with a natural SF- capryl glucoside co-surfactant. The reversible dynamic bonds in the DN provided good self-healing ability and an effective dissipative energy mechanism for the DN hydrogel, while the addition of calcium ions improved the self-healing ability and electrical conductivity of the hydrogel. Under optimal conditions, the RSF/S-PAAm/C18 DN gels exhibited large extensibility (1400%), high tensile strength (0.3 MPa), satisfactory self-healing capability (90%) and electrical conductivity (0.12 S·m-1). The full physically interacted DN hydrogels are expected to be applied in various fields such as tissue engineering, biosensors and artificial electronic skin.

Simple Preparation of a Waterborne Polyurethane Crosslinked Hydrogel Adhesive With Satisfactory Mechanical Properties and Adhesion Properties.

Waterborne polyurethane has been proven to be an ideal additive for the preparation of hydrogels with excellent mechanical properties. This work reports that a satisfactory adhesion of acrylamide hydrogels can be obtained by introducing a large amount of waterborne polyurethane into system. A series of polyurethane hydrogels was prepared by using one-pot method with acrylamide monomer and 2-hydroxymethyl methacrylate end-modified waterborne polyurethane emulsion. The hydrogels exhibit good strength (greater than 30 KPa), wide range of adjustable strain (200%-800%), and excellent compression fatigue resistance. The performance improvement is attributed to the fact that the polyurethane emulsion containing double bonds provides chemical crosslinking and forms polyurethane microregions due to hydrophilic and hydrophobic interactions. The hydrogel shows extensive and repeatable adhesion on diverse substrates. This simple preparation method through polyurethane crosslinked hydrogels is expected to become a low-cost and efficient preparation strategy for hydrogel adhesives.

[Risk Assessment and Attribution Analysis of "Five Toxic" Heavy Metals in Cultivated Land in Lanzhou].

Heavy metals in cultivated soil may migrate and transform through the food chain to harm the ecological environment and human health. At present, the ecological environment and human health risks of heavy metals in cultivated soil in Lanzhou city remain unclear, which impacts the effective management and control of heavy metals. The potential ecological risk hazard index was used to evaluate the ecological environmental risks of As, Cd, Cr, Hg, and Pb in the surface soil of cultivated land in Lanzhou, and the health risk model proposed by USEPA and the recommended standard were used to evaluate their human health risk. The main factors influencing the spatial differentiation of human health risk were explored by using geographic detectors. The risk of heavy metals to the ecological environment of the cultivated land surface soil in the study area was mainly medium (65.25%), and small portions were low (13.80%) and high (20.95%). The low-risk areas were mainly located in the southeast of Yongdeng County, the middle and north of Yuzhong County, and the southwest of Gaolan County. Moderate risk areas were distributed in three counties and five districts. The high-risk areas were located in the north and southeast of Yongdeng County, the south of Chengguan District, the northeast of Qilihe, the east of Xigu District, and the middle of Yuzhong County. The non-carcinogenic and carcinogenic risks of five types of heavy metal exposure pathways were as follows:oral ingestion>skin contact>respiratory ingestion; generally speaking, children were at higher risk than adults. The non-carcinogenic risk in children was higher than that in adults; however, there was no such risk for local residents, as they were all less than 1. At the same time, the carcinogenic risk of As was greater than 1×10-5 (children 2.04×10-5) and less than 1×10-4 (adults 1.91×10-5), respectively. This indicated an acceptable medium risk to the local residents, and the risk to children was again greater than that to adults. Geographical detector analysis showed that average precipitation during the sampling season had the greatest impact on the spatial differentiation of human health risks of As and Cd, GDP had the greatest impact on the spatial differentiation of human health risks of Cr, and distance from the railway had the greatest impact on the spatial differentiation of human health risks of Hg and Pb. Interaction detection showed that all factors were enhanced by double factors. In addition to leading factors, other factors such as pH, slope, and altitude also enhanced the influence of leading factors on the spatial differentiation of heavy metal risk in cultivated soil.

Contamination characteristics, source analysis, and ecological risk assessment of toxic metals and metalloid in agricultural soil in Yuzhong, China.

Human activities have caused toxic metal pollution and ecological risks to agricultural soil. In this study, 291 topsoil samples, collected in the agricultural soil system of Yuzhong, China, were selected to study the toxic metals and metalloids contamination characteristics, source and ecological risk based on geostatistics, pollution index, and ecological risk index. The main distribution of As is adjacent to pasture land and mainly comes from animal husbandry; Pb was observed near a coal mining factory and the Yellow River and was derived from industry and transportation; Cd was similar to Pb and was mainly derived from industry, transportation, and agriculture; Cr was found near a cement plant and was derived from industry and transportation; and Hg was found near an urban area and was mainly from industry and domestic garbage. The ratio of these elements exceeding the soil background value reached 99.9%. Except for the excess amounts of Cd and Hg in some samples, Cr, Hg, and As were mostly below permissible limits. Moreover, the comprehensive potential ecological risk of toxic metals is mainly at medium level and below, whereas the risks of Cd and Hg are higher. Control of Cd and Hg is important to prevent soil pollution. This study explains the current contamination situation, the predominant contaminants and their sources, and provides emphasis and direction for agricultural soil remediation.

Soil contamination and plant accumulation characteristics of toxic metals and metalloid in farmland soil-food crop system in Qilihe, China.

Toxic metals and metalloids (TMMs) in soil can be accumulated in crops, which poses potential risks to human health. In this paper, 55 topsoil and 23 crop samples, collected in Qilihe, China, were selected to study the contamination, risk, and plant accumulation of TMMs in soil-crop system. TMM concentrations in soil samples were all below the permissible limits, but Hg and Cd exhibited the potential ecological risk due to their slight accumulation in soil. There was slight Hg pollution in 2 samples of Lanzhou lily (Lilium davidii), and 1 sample of radish (Raphanus sativus), Chinese cabbage (Brassica pekinensis), and welsh onions (Allium fistulosum) due to Hg's strong bio-accumulation, but there was no risk to human health. The TMM accumulation in leaf crops was large, followed in tuber and seed crops. Available potassium, cation exchange capacity, soil organic matter, and available phosphate were the main factors associated with TMM accumulation in crops among the selected soil properties. This study shows the current contamination situation and the predominant influencing factors associated with the accumulation of TMMs in 24 crops, which provides the emphasis and direction of relative policies in land use and crop plantation.

A supramolecular system that strictly follows the binding mechanism of conformational selection.

Induced fit and conformational selection are two dominant binding mechanisms in biology. Although induced fit has been widely accepted by supramolecular chemists, conformational selection is rarely studied with synthetic systems. In the present research, we report a macrocyclic host whose binding mechanism is unambiguously assigned to conformational selection. The kinetic and thermodynamic aspects of this system are studied in great detail. It reveals that the kinetic equation commonly used for conformational selection is strictly followed here. In addition, two mathematical models are developed to determine the association constants of the same guest to the two host conformations. A "conformational selectivity factor" is defined to quantify the fidelity of conformational selection. Many details about the kinetic and thermodynamic aspects of conformational selection are revealed by this synthetic system. The conclusion and the mathematical models reported here should be helpful in understanding complex molecular recognition in both biological and synthetic systems.