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Urbanization-related human activities, such as population aggregation, rapid industrial expansion, and intensified traffic, are key factors that impact local polycyclic aromatic hydrocarbon emissions and their associated health risks. Consequently, regions with varying degrees of urbanization within a megacity may exhibit diverse spatiotemporal patterns in the presence and distribution of soil polycyclic aromatic hydrocarbons, resulting in different levels of ecological risks for local inhabitants following the same period of development. In this study, we measured the concentrations of 16 polycyclic aromatic hydrocarbons in soil samples collected from industrial district and rural district in Tianjin (China) in 2018, and compared with polycyclic aromatic hydrocarbon data in 2001 from a previous study to characterize these regional variations in occurrence, source, and human risk of polycyclic aromatic hydrocarbons induced by urbanization with time and space. The results indicate the 20-year rapid urbanization and industrialization has differentially affected the composition, distribution and sources of polycyclic aromatic hydrocarbons in soils from different economic functional zones in Tianjin. Additionally, its impact on health risks in rural district appeared to be more significant than that in industrial district. • Urbanization had different effects on industrial and rural soil PAHs. • Regional socioeconomic patterns and residential behaviors influenced local PAH source profiles. • Risk regions and affected population were estimated quantitatively. • Urbanization-related impact on cancer risks in rural district seemed more notable. [ABSTRACT FROM AUTHOR]

Lipases are widely present in various plants, animals and microorganisms, constituting a large category of enzymes. They have the ability to catalyze the cleavage of ester bonds. The lipase CinB from Enterobacter asburiae (E. asburiae) is an acetyl esterase. The primary amino acid sequence suggests that the EaCinB protein belongs to the α/β-hydrolase (ABH) superfamily of the esterase/lipase superfamily. However, its molecular functions have not yet been determined. Here, we report the crystal structure of E. asburiae CinB at a 1.45 Å resolution. EaCinB contains a signal peptide, cap domain and catalytic domain. The active site of EaCinB contains the catalytic triad (Ser180-His307-Asp277) on the catalytic domain. The oxyanion hole is composed of Gly106 and Gly107 within the conserved sequence motif HGGG (amino acid residues 106–109). The substrate is accessible between the α1 and α2 helices or the α1 helix and catalytic domain. Narrow substrate pockets are formed by the α2 helix of the cap domain. Site-directed mutagenesis showed that EaCinB-W208H exhibits a higher catalytic ability than EaCinB-WT by approximately nine times. Our results provide insight into the molecular function of EaCinB. • EaCinB structure contains a signal peptide, cap domain and catalytic domain. • The active site of EaCinB contains the catalytic triad (Ser180-His307-Asp277). • The oxyanion hole is composed of Gly106 and Gly107. • Substrate-binding mode of EaCinB are proposed. • Site-directed mutagenesis showed that EaCinB-W208H exhibits a higher catalytic ability than EaCinB-WT. [ABSTRACT FROM AUTHOR]

Siderophores acquire iron from hosts under iron-limiting conditions and play an essential role in the survival of microorganisms. Siderophore-interacting proteins (SIPs) from microbes release iron from the siderophore complex by reducing ferric iron to ferrous iron, but the molecular mechanism of iron reduction remains unclear. To better understand the molecular mechanism of SIPs, we herein report the crystal structure of Aeromonas hydrophila SIP (AhSIP) in complex with flavin adenine dinucleotide (FAD) as a cofactor. AhSIP consists of an N-terminal FAD binding domain and a C-terminal NADH binding domain, which are connected by a linker region. AhSIP showed unique structural differences in the orientation of the cofactor binding lobes when compared with SIP homologs. This study identified a cluster of three basic residues (Lys48, His259 and Arg262) in AhSIP distributed around a potential substrate binding pocket. In addition, AhSIP, containing the NADH binding motif E(L)VL-X 3 -GE, belongs to the group I subfamily. Our results show the diverse cofactor and substrate binding sites of the SIP family. • Crystal structure determination of the Siderophore-interacting protein SIP-FAD complex from A. hydrophila. • AhSIP consist of N-terminal FAD binding domain and C-terminal NADH binding domain. • The potential substrate binding pocket of AhSIP and putative NADH binding sites are proposed. [ABSTRACT FROM AUTHOR]

[Display omitted] • 1D skin-core multilayer structure was fabricated by a facile template method. • Bicontinuous electron/ion transport during the charge/discharge process. • The large specific surface area and hollow hierarchical porous structure. • Adjusting active layers or sites can obviously improve the capacitive properties. • The maximum energy density of 8.77 Wh kg−1 at a power density of 0.25 kW kg−1. The fast transport of electrons and ions within electrodes is crucial to the final electrochemical properties. Herein, we have developed a unique ultra-long one-dimensional (1D) skin-core multilayer structure based on electrospun carbon nanofibers mainly through a facile Stöber method combined with resorcinol–formaldehyde resin, which not only achieves bicontinuous electron/ion transport during the charge/discharge process, but also provides large surface area for ion adsorption. Particularly, controlling the number of active layers as well as regulating the active sites in layer both can obviously improve capacitive properties. Benefiting from the synergistic effects of the desirable architecture, such the rational-designed skin-core structural carbon nanofibers as supercapacitor electrode can deliver a high specific capacitance up to 255 F g−1 at 0.5 A g−1, favorable rate capability with 89% capacitance retention of initial capacitance at 8 A g−1, and excellent cycling stability with nearly 93% capacity retention after 10,000 cycles at 2 A g−1. Furthermore, the as-assembled symmetric supercapacitor devices also present a maximum energy density of 8.77 Wh kg−1 at 0.25 kW kg−1 and a maximum power density of 3.70 kW kg−1 at 6.74 Wh kg−1. Such skin-core carbon nanofibers provide an effective strategy to design high-performance supercapacitor electrode for the next-generation energy storage devices. [ABSTRACT FROM AUTHOR]

Globally, the interaction and vulnerability of tourism and climate change have recently been in focus. This study examines how carbon dioxide emissions respond to changes in the tourism development. Panel data from 2000 to 2017 for 70 countries are analyzed using spatial econometric method to investigate the spatial spillover effect of tourism development on environmental pollution. The direct, indirect, and overall impact of tourism on environmental pollution are estimated after the selection of the most appropriate GNS method. The findings reveal that tourism has a positive direct effect and a negative indirect effect; both are significant at the 1 % level. The negative indirect effect of tourism is greater than its direct positive effect, implying an overall significantly negative impact. Further, the outcome of financial development and carbon emissions have an inverted U-shaped and U-shaped relationship in direct and indirect impacts. Population density, trade openness and economic growth significantly influence on environmental pollution through spatial spill over. In addition, education expenditure and infrastructure play a significant moderating role in the relationship among tourism development and environmental pollution. The results have important policy implications as they establish an inverted-U-shaped relationship among tourism and environmental pollution and indicate that while a country's emissions initially rise with the tourism industry's growth, they begin declining after a limit. • Identifying the spatial spillover effect of tourism development on environmental pollution. • The outcome of financial development and carbon emissions have an inverted U-shaped and U-shaped relationship in direct and indirect impacts. • Establishing an inverted-U-shaped relationship among tourism and environmental pollution. [ABSTRACT FROM AUTHOR]

Highlights: [•] Fe2O3 nanoparticles show high dispersivity on Al decorated mesoporous silica. [•] The prepared adsorbent obtains ordered 2D mesoporous structure. [•] The prepared adsorbent shows synergistic adsorption capacity for As(V). [•] The adsorbent maintains a desirable life cycle. [ABSTRACT FROM AUTHOR]

Abstract: In this work, Fe3O4–SiO2-poly(1,2-diaminobenzene) sub-micron particles (FSPs) with high saturated magnetization of ∼60–70emu/g were developed and utilized for the removal of As(III), Cu(II), and Cr(III) ions from aqueous solution. The isothermal results fitted well with the Freundlich model and the kinetic results fitted well with the two-site pseudo-second-order model, which indicated that multilayer adsorption of As(III), Cu(II), and Cr(III) ions on FSPs occurred at two sites with different energy of adsorption. The maximum adsorption capacities followed the order of As(III) (84±5mg/g, pH=6.0)>Cr(III) (77±3mg/g, pH=5.3)>Cu(II) (65±3mg/g, pH=6.0). And the chelating interaction was considered as the main adsorption mechanism. The as-prepared materials were chemically stable with low leaching of Fe (⩽1.7wt.%) and poly(1,2-diaminobenzene) (⩽4.9wt.%) in tap water, sea water, and acidic/basic solutions. These metal-loaded FSPs could be easily recovered from aqueous solutions using a permanent magnet within 20s. They could also be easily regenerated with acid. The present work indicates that the FSPs are promising for removal of heavy metal ions in field application. [Copyright &y& Elsevier]

Abstract: The chemokine CCL28 participates in direct antimicrobial activities as well as homing of certain types of lymphocytes. The present study was conducted to harness these properties of the chemokine for the prevention of dental caries. The gene encoding CCL28 was transferred to salivary glands to enhance the production of this chemokine locally. First, a recombinant eukaryotic plasmid expressing CCL28 was constructed. Then, the CCL28 protein from 293 cells transfected with the recombinant plasmid was verified to inhibit the caries pathogen Streptococcus mutans (S. mutans) in a biofilm. Finally, the recombinant plasmid was retrogradely administered to the parotid glands of rats through the secretory ducts. The successful transfer of the gene encoding CCL28 to rat parotid acinar cells was confirmed by immunofluorescence and real-time PCR. Increases in both CCL28 and secretory IgA (SIgA) in the rat saliva were tested by ELISA. It was revealed that the CCL28 protein obtained from the study was able to strongly inhibit S. mutans living in biofilm in vitro. The delivery of the recombinant plasmid to the rat parotid glands was able to induce high levels of CCL28 and SIgA in saliva, and the increased levels of CCL28 and SIgA in saliva were maintained for 2weeks. Notably, the dental plaque from the rats treated with the delivery of the recombinant plasmid in the study harbored significantly less S. mutans. These data indicated that the present strategy may hold hope for the effective prevention of dental caries. [Copyright &y& Elsevier]

Soil organic carbon (SOC) pool, the largest part of terrestrial ecosystem, controls global terrestrial carbon balance and consequently presented carbon cycle-climate feedback in climate projections. Microplastics, (MPs, <5 mm) as common pollutants in soil ecosystems, have an obvious impact on soil-borne carbon circulation by affecting soil microbial processes, which play a central role in regulating SOC conversion. In this review, we initially presented the sources, properties and ecological risks of MPs in soil ecosystem, and then the differentiated effects of MPs on the component of SOC, including dissolved organic carbon, soil microbial biomass carbon and easily oxidized organic carbon varying with the types and concentrations of MPs, the soil types, etc. As research turns into a broader perspective, greenhouse gas emissions dominated by the mineralization of SOC coming into view since it can be significantly affected by MPs and is closely associated with soil microbial respiration. The pathways of MPs impacting soil microbes-driven carbon conversion include changing microbial community structure and composition, the functional enzyme's activity and the abundance and expression of functional genes. However, numerous uncertainties still exist regarding the microbial mechanisms in the deeper biochemical process. More comprehensive studies are necessary to explore the affected footprint and provide guidance for finding the evaluation criterion of MPs affecting climate change. • Soil organic carbon pool presents carbon cycle-climate feedback in global warming. • MPs can regulate soil organic carbon turnover by impacting soil microbial processes. • Greenhouse gas emission is closely associated with soil microbial respiration. • MPs can affect soil microbial community, enzyme's activity and functional genes. [ABSTRACT FROM AUTHOR]

Abstract: Adenosine is an endogenous neuromodulator with anticonvulsant and neuroprotective properties presumably mediated by activation of adenosine A1 receptors (A1Rs). To study the involvement of A1Rs in neuroprotection during epileptogenesis, we induced status epilepticus by a unilateral intrahippocampal kainic acid (KA) injection (1 nmol) in wild-type C57BL/6 and homozygous adenosine A1R knock out (A1R-KO) mice of the same genetic background. Whereas the KA injection caused non-convulsive status epilepticus in wild-type mice, in A1R-KO mice KA induced status epilepticus with severe convulsions and subsequent death of the animals within 5 days. 24 h after KA injection, brains from wild-type C57BL/6 mice were characterized by slight neuronal cell loss confined to the immediate location of the KA injection. In contrast, KA-injected A1R-KO mice displayed massive neuronal cell loss in the ipsilateral hippocampus, and, importantly, the contralateral hippocampus was also affected with significant cell loss in the hilus and in the CA1 region of the pyramidal cell layer. We conclude that activation of A1 receptors by ambient adenosine is crucial in keeping epileptic foci localized. These results open up a new dimension of the A1 receptor''s role in controlling excitotoxic cell death and further demonstrate its importance in preventing the progression of status epilepticus to lethal consequences. [Copyright &y& Elsevier]

Sperm cryopreservation is an essential approach for assisted reproduction and genetic resources conservation in captive giant pandas. Cryopreservation, however, leads to a significant decrease in sperm quality and, consequently, a low fertilization rate. Therefore, it is mandatory to disclose more suitable and efficient freezing strategies for sperm cryopreservation. In the present study, we compared for the first time the performance of two commercial freeze extender (INRA96 versus TEST) freezing methods on post-thawed semen quality. Semen cryopreserved with the INRA96 showed better total motility (73.00 ± 4.84% vs 57.56 ± 3.60%, P < 0.001), membrane integrity (60.92 ± 2.27% vs 40.53 ± 2.97%, P < 0.001) and acrosome integrity (90.39 ± 2.74% vs 84.26 ± 4.27%, P < 0.05) than stored with TEST. There was no significant difference in DNA integrity after thawing between the two extenders (95.69 ± 3.60% vs 94.26 ± 4.84%). In conclusion, the INRA96 method showed to be better for giant panda sperm cryopreservation and should therefore be recommended for use in order to increase success of artificial insemination. • INRA96 could increase post-thawed spermatozoa motility of giant panda. • INRA96 could increase post-thawed spermatozoa membrane integrity of giant panda. • INRA96 could increase post-thawed spermatozoa acrosome integrity of giant panda. • INRA96 benefit for giant panda semen cryopreservation and production. [ABSTRACT FROM AUTHOR]

The BioH carboxylesterase which is a typical α/β-hydrolase enzyme involved in biotin synthetic pathway in most bacteria. BioH acts as a gatekeeper and blocks the further elongation of its substrate. In the pathogen Klebsiella pneumoniae , BioH plays a critical role in the biosynthesis of biotin. To better understand the molecular function of BioH, we determined the crystal structure of BioH from K. pneumoniae at 2.26 Å resolution using X-ray crystallography. The structure of KpBioH consists of an α-β-α sandwich domain and a cap domain. B-factor analysis revealed that the α-β-α sandwich domain is a rigid structure, while the loops in the cap domain shows the structural flexibility. The active site of KpBioH contains the catalytic triad (Ser82-Asp207-His235) on the interface of the α-β-α sandwich domain, which is surrounded by the cap domain. Size exclusion chromatography shows that KpBioH prefers the monomeric state in solution, whereas two-fold symmetric dimeric formation of KpBioH was observed in the asymmetric unit, the conserved Cys31-based disulfide bonds can maintain the irreversible dimeric formation of KpBioH. Our study provides important structural insight for understanding the molecular mechanisms of KpBioH and its homologous proteins. • Crystal structure of K. pneumoniae BioH consists of an α-β-αsandwish domain and acapsubdomain. • The active site of KpBioH contains the catalytic triad (Ser82-Asp207-His235). • The Arg138, Arg142, Arg155, and Arg159 of KpBioH may play an important role in the binding of the substrates like ACP. • The Cys31-based disulfide bonds can maintain the irreversible dimeric formation of KpBioH. [ABSTRACT FROM AUTHOR]

The emergence of drug-resistant strains of Klebsiella pneumoniae , has exacerbated the treatment and control of the disease caused by this bacterium. Cytidine deaminases (CDA) are zinc-dependent enzymes involved in the pyrimidine salvage pathway and catalyze the formation of uridine and deoxyuridine from cytidine and deoxycytidine, respectively. To illustrate the structural basis of CDA for a deeper knowledge of the molecular mechanisms underlying the salvage pathway, we reported here the biochemical and structural analysis of CDA from pathogenic K. pneumonia. KpCDA showed deaminase activity against cytidine as well as its analog cytarabine. The deaminase activity of KpCDA on cytarabine was 1.8 times higher than that on cytidine. KpCDA is composed of an N-terminal catalytic domain and a C-terminal noncatalytic domain. Zinc, which is involved in the activity of the catalytic domain, is coordinated by His102, Cys129, and Cys132, and two 1,4-dioxane molecules were present at the active sites. KpCDA exists as a dimer and shows distinct dimeric interface compared with other CDAs. Our results provide the structural features of KpCDA, and KpCDA might be a potential antibacterial target for the disease caused by K. pneumoniae. • Crystal structure of the cytidine deaminase CDA from Klebsiella pneumoniae in complexed with 1,4-dioxane. • The deaminase activity of KpCDA on cytarabine was 1.8 times higher than that on cytidine. • The KpCDA is consisting of N-terminal catalytic domain and C-terminal noncatalytic domain, which is seen as a dimeric in solution buffer. [ABSTRACT FROM AUTHOR]

Thiamin pyrophosphate (TPP) is an essential co-factor in amino acid and carbohydrate metabolic pathways. The TPP-related vitamin B1 biosynthetic pathway is found in most bacterial, plant and lower eukaryotic processes; however, it is not present in humans. In bacterial thiamin synthesis and salvage pathways, the 5-(hydroxyethyl)-methylthiazole kinase (ThiM) is essential in the pathway forming TPP. Thus, ThiM is considered to be an attractive antibacterial drug target. Here, we determined the crystal structures of ThiM from pathogenic Klebsiella pneumoniae (KpThiM) and KpThiM in complex with its substrate 5-(hydroxyethyl)-4-methylthiazole (TZE). KpThiM, consisting of an α-β-α domain, shows a pseudosymmetric trimeric formation. TZE molecules are located in the interface between the KpThiM subunits in the trimer and interact with Met49 and Cys200. Superimposition of the apo and TZE-complexed structures of KpThiM show that the side chains of the amino acids interacting with TZE and Mg2+ have a rigid configuration. Comparison of the ThiM structures shows that KpThiM could, in terms of sequence and configuration, be different from other ThiM proteins, which possess different amino acids that recognize TZE and Mg2+. The structures will provide new insight into the ThiM subfamily proteins for antibacterial drug development. • Crystal structure determination of ThiM-APO and ThiM-TZE complex from K. pneumonia. • The substrate binding site is located in the interface between the KpThiM subunits formed by the trimer.. • The substrate binding site and the magnesium ion binding site change of KpThiM are different from its homologue. • In bacterial thiamin synthesis and salvage pathways, ThiM is considered to be attractive antibacterial drug target. [ABSTRACT FROM AUTHOR]

While the conventional two-dimensional (2D) culture protocol is well accepted for the culture of mesenchymal stem cells (MSCs), this method fails to recapitulate the in vivo native three-dimensional (3D) cellular microenvironment, and may result in phenotypic changes, and homing and migration capacity impairments. MSC preparation in 3D culture systems has been considered an attractive preparatory and delivery method recently. We seeded human umbilical cord-derived MSCs (hUCMSCs) in a 3D culture system with porcine acellular dermal matrix (PADM), and investigated the phenotypic changes, the expression changes of some important receptors, including Toll-like receptors (TLRs) and C-X-C chemokine receptor type 4 (CXCR4) when hUCMSCs were transferred from 2D to 3D systems, as well as the alterations in in vivo homing and migration potential. It was found that the percentage of CD105-positive cells decreased significantly, whereas that of CD34- and CD271-positive cells increased significantly in 3D culture, compared to that in 2D culture. The mRNA and protein expression levels of TLR2, TLR3, TLR4, TLR6, and CXCR4 in hUCMSCs were increased significantly upon culturing with PADM for 3 days, compared to the levels in 2D culture. The numbers of migratory 3D hUCMSCs in the heart, liver, spleen, and bone marrow were significantly greater than the numbers of 2D hUCMSCs, and the worst migration occurred in 3D + AMD3100 (CXCR4 antagonist) hUCMSCs. These results suggested that 3D culture of hUCMSCs with PADM could alter the phenotypic characteristics of hUCMSCs, increase their TLR and CXCR4 expression levels, and promote their migratory and homing capacity in which CXCR4 plays an important role. [ABSTRACT FROM AUTHOR]

Abstract: MicroRNAs are small non-coding RNAs that regulate post-transcriptional gene expression. In the short time since the discovery of microRNAs, the literature has burgeoned with studies focused on the biosynthesis of microRNAs, target prediction and binding, and mechanisms of translational repression by microRNAs. Given the prominent role of microRNAs in all areas of cell biology, it is not surprising that microRNAs are also linked to human diseases, including those of the nervous system. One of the least-studied areas of microRNA research is how their expression is regulated outside of development and cancer. Thus, we examined a role for regulation of microRNAs by neurotransmitter receptor activation in mouse brain. We focused on the group I metabotropic glutamate receptors by using intracerebroventricular injection of the selective agonist, (S)-3,5-dihydroxyphenylglycine (DHPG) in mouse brain. We then examined the expression of microRNAs in the cerebral cortex by Ambion and Invitrogen microarrays, and the expression of mature microRNA sequences by SABiosciences qPCR arrays, at 4, 8 and 24h after DHPG injection. These studies revealed that the largest number of significantly regulated microRNAs was detected 8h after DHPG injection in the microarrays and qPCR arrays. We then used RNA blots to quantify microRNA expression, and in situ hybridization to examine cellular distribution of the microRNAs regulated by DHPG. Bioinformatic analysis of the microRNAs regulated 8h after DHPG in all three arrays revealed KEGG pathways that are known to correlate with group I mGluR effects, as well as recently described and novel pathways. These studies are the first to show that DHGP regulates the expression of microRNAs in mouse cerebral cortex, and support the hypothesis that group I mGluRs may regulate microRNA expression in mouse brain. [Copyright &y& Elsevier]

The caspase family of cell death proteases has been implicated in the mechanism of neuronal death following seizures. We investigated the expression and processing of caspases 6 and 7, putative executioner caspases. Brief limbic seizures were evoked by intraamygdala kainic acid to elicit unilateral death of target hippocampal CA3 neurons in the rat. Seizures rapidly induced cleavage of constitutively expressed caspase-6, followed by elevated VEIDase activity and the proteolysis of lamin A. Neuronal caspase-6 immunoreactivity was markedly upregulated within cortex and hippocampus in relation to bursts of polyspike paroxysmal discharges. In contrast, while caspase-7 expression also increased within cortical and hippocampal neuronal populations in response to the same seizure patterns, caspase-7 was not proteolytically activated. These data highlight differences in expression and activation of caspases 6 and 7 in response to identifiable seizure patterns, focusing potential therapeutic targets for neuroprotection in epilepsy. [Copyright &y& Elsevier]