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Large rotating machinery is widely applied in many industrial applications and shaft orbit classification plays an important role in fault diagnosis of large rotating machinery. Therefore, we propose a novel raw data feature-based automatic and deterministic shaft orbit classification framework for large rotating machinery. The main idea of the proposed framework is that it directly uses the most discriminative geometric features of each shaft orbit type for classification. Different from existing supervised learning shaft orbit classification methods, it does not need any labeled data and it is a deterministic, quite simple, light, easy to implement. Extensive experiments of synchronous integrated period sampling and fixed sampling at different rotating speeds conducted on real and simulated datasets have shown the superiority of proposed framework. This study provides a new deterministic interpretable and explainable approach to support predictive maintenance of large rotating machinery in various industrial fields even when no labeled data is available. [Display omitted] • ADSOC is a raw data feature-based classification framework so that it does not need any labeled data. • ADSOC is invariant to shaft orbit translation, scale and rotation. • ADSOC model and results are easy to interpret and explain. • ADSOC is independent from both shaft orbit starting point and rotating direction, and the shaft orbit does not need to be closed. • ADSOC is a deterministic framework and it is quite simple, light and easy to implement. [ABSTRACT FROM AUTHOR]

Spring viremia of carp virus (SVCV) causes devastating disease in aquaculture, resulting in significant economic impact. To develop an effective means against SVCV infection, a Lactococcus lactis (L.lactis) based subunit vaccine (pNZ-UGA) was developed based on surface displaying of SVCV glycoprotein using anchoring motif of the cA (C terminus of the peptidoglyvsn-binding) domains of AcmA, a major autolysin from L.lactis. The surface expression of SVCV glycoprotein was verified by indirect immunofluorescence assay. The efficacy of the constructed vaccine was further evaluated in common carp. The results showed that the higher levels of specific IgM could be detected in fish vaccinated with pNZ-UGA, compared with that in PBS and L.lactis groups. Immune-related genes including TNF-α , IL-6b , IL-1β , Cxcr 1 , Cxca , IFNg2b , I-IFN , and IgM expression in pNZ-UGA group were strongly up-regulated, revealing that robust innate immune response was induced. Notably, the lowest cumulative mortality (13.46%) was observed in fish vaccinated with pNZ-UGA vaccine after SVCV challenge, whereas the cumulative mortality were 100.00% and 92.31% in PBS and L.lactis groups, respectively. This study suggests the potential use of the recombinant L.lactis with surface displaying antigen proteins as effective vaccines against SVCV and other fish virus infection. • SVCV glycoprotein was displayed on the surface of Lactobacillus lactis. • Immunization by injection with pNZ-UGA strongly induced immune response in common carp. • Immunization with pNZ-UGA enhance disease resistance against SVCV. [ABSTRACT FROM AUTHOR]

Graphical abstract Abstract Fenton process has gained considerable interest for its application in water treatment. However, the removal of iron sludge which generated during the process makes this method complex and uneconomical. In this study, we report a novel way of modifying iron sludge and use it as heterogeneous Fenton catalyst for the degradation of dye wastewater. It was found that after calcination at 600 °C, the iron sludge (Fe-600) exhibited much enhanced catalytic performance (99%) toward rhodamine B (RhB) in comparison with iron sludge without calcination (10%) in the presence of H 2 O 2. The mesoporous structure of Fe-600 could facilitate its adsorption and immobilization of RhB, and the self-doped lattice sulfide played an important role during the Fenton degradation process. Moreover, the Fe-600 exhibited excellent heterogeneous Fenton degradation efficiency of acid red G and methylene blue as well. Our results may shed new light on the scalable preparation of novel heterogeneous Fenton catalysts and make contribution to the application of homogeneous Fenton degradation of wastewater. [ABSTRACT FROM AUTHOR]

The serotonin receptor 5-HT 6 R is an important G-protein-coupled receptor (GPCR) that involved in essential functions within the central and peripheral nervous systems and is linked to various psychiatric disorders. Selective activation of 5-HT 6 R promotes neural stem cell regeneration activity. As a 5-HT 6 R selective agonist, 2-(5 chloro-2-methyl-1H-indol-3-yl)-N, N-dimethylethanolamine (ST1936) has been widely used to investigate the functions of the 5-HT 6 R. The molecular mechanism of how ST1936 is recognized by 5-HT 6 R and how it effectively couples with Gs remain unclear. Here, we reconstituted the ST1936-5-HT 6 R-Gs complex in vitro and solved its cryo-electron microscopy structure at 3.1 Å resolution. Further structural analysis and mutational studies facilitated us to identify the residues of the Y3107.43 and "toggle switch" W2816.48 of the 5-HT 6 R contributed to the higher efficacy of ST1936 compared with 5-HT. By uncovering the structural foundation of how 5-HT 6 R specifically recognizes agonists and elucidating the molecular process of G protein activation, our discoveries offer valuable insights and pave the way for the development of promising 5-HT 6 R agonists. • Cryo-EM structure of ST1936-5-HT 6 R-Gs complex facilitated the revealing of structural basis of selective agonist ST1936 recognition by 5-HT 6 R. [ABSTRACT FROM AUTHOR]

Sexually dimorphic antibody response to vaccines has long been noticed. In addition to sex hormones, other factors such as antigens, adjuvants and strains of mice, as shown by indirect evidence, could also impact the sexual dimorphism. To clarify this, we immunized both gender mice of distinct strains with inactivated FMDV or HBsAg with or without adjuvants, and detected the specific antibody response of the mice. We found that in absence of adjuvants, the recombinant HBsAg but not the inactivated FMDV induced enhanced IgG antibody response in the female BALB/c mice. The o/w emulsion could facilitate the HBsAg to induce the comparable level of IgG antibodies in the male BALB/c mice as that in the females. The o/w emulsion rather than ISA206, a w/o/w emulsion, could assist the inactivated FMDV to induce higher levels of IgM antibodies in the female BALB/c mice. Moreover, the sexually dimorphic antibody response varied among the ICR, BALB/c and the F1 (BALB/c × C57BL/6) mice. Thus the data suggest that antigens, adjuvants and strains all impact the sexually dimorphic antibody response to vaccines and may provide insights for developing gender-based vaccines. [ABSTRACT FROM AUTHOR]

A series of graphene oxide (GO)–FePO 4 composites with different GO weight ratios (2.5%, 5%, 10%, w/w) were prepared using a simple precipitation process and were firstly used as heterogeneous photo-Fenton catalysts. FESEM images prove the loose structure of the 5GO–FePO 4 composite. UV–vis analysis demonstrates that the introduction of GO could enhance solar energy utilization of the composites. Under visible light irradiation, the degradation rate of rhodamine B (RhB) by the 5GO–FePO 4 composite was 2.87 times more than that by the pure FePO 4 in the presence of hydrogen peroxide. The composite was highly effective for the degradation of RhB in a wide pH range of 2.18–10.40 with negligible iron leaching. Moreover, the composite still showed high catalytic activity after six cycles, which makes it a promising heterogeneous catalyst for wastewater treatment. The introduction of GO promotes the photo-Fenton reaction of GO–FePO 4 via three roles: offering more active sites, increasing adsorption capacity and accelerating the Fe 3+ /Fe 2+ cycle by improving the utilization of solar energy. Our work may provide new insights for the development of new effective heterogeneous photo-Fenton catalyst. [ABSTRACT FROM AUTHOR]

A novel bifunctional Ti–Fe kaolinite composite with excellent adsorption and photocatalytic properties was synthesized by a simple precipitation method. X-ray diffraction analysis and high-resolution transmission electron microscope analysis confirmed the existence of rutile phase TiO 2 and amorphous iron in the composite. The specific surface area of the Ti–Fe kaolinite composite is 5.5 times higher than that of the original kaolinite. The composite was used as an adsorbent as well as photocatalyst for Cr(VI) removal. The results indicate that the low pH is favorable to the Cr(VI) removal by the composite and the removal rate of Cr(VI) reached 87% at pH 3.0. Visible light irradiation obviously increased the removal of Cr(VI) by the composite and greatly shortened reaction equilibrium time, which may be attributed to the photocatalytic reduction of Cr(VI) to Cr(III) by TiO 2 associated with simultaneous redox cycle of Fe(III)/Fe(II). Various common co-existing ions did not show obvious effects on the removal of Cr(VI) by the composite. The composite exhibited very high stability for the Cr(VI) removal. The adsorption models and thermodynamics of Cr(VI) onto the composite were studied. [ABSTRACT FROM AUTHOR]

An efficient Fe 2 O 3 –Kaolin was synthesized as a heterogeneous catalyst for photo-Fenton degradation of organic contaminants. X-ray photoelectron spectroscopy analysis and high-resolution transmission electron microscope analysis confirmed the existence of Fe 2 O 3 nanoparticles in the Fe 2 O 3 –Kaolin composite. The specific surface area of the Fe 2 O 3 –Kaolin catalyst increased from 19.47 to 39.32 m 2 /g compared to kaolin. The catalytic activity of the Fe 2 O 3 –Kaolin catalyst was evaluated by the photo-Fenton degradation of rhodamine B (RhB) under visible light irradiation and the results showed that the catalyst was highly effective for the degradation of RhB in a wide pH range of 2.21–10.13. At optimal conditions, 98% discoloration and 66% mineralization of RhB were achieved in 120 min. The catalyst was efficient for the degradation of methylene blue as well. Leaching test indicated that the leached iron from the catalyst was negligible and the catalyst still showed high photocatalytic activity after five reaction cycles, which all showed that the Fe 2 O 3 –Kaolin catalyst is a promising heterogeneous photocatalyst for the degradation of various dyes in wastewater. Finally, a possible photocatalytic mechanism was proposed based on photoluminescence measurements and a series of operating conditions. [ABSTRACT FROM AUTHOR]

This paper report a facile route of synthesizing Ag3PO4 crystal with smooth surface, and La-doped Ag3PO4 crystal with porous surface by accurately controlling the kinetic parameters during chemical precipitation process. As a result of surface modification induced by La doping, the La-doped Ag3PO4 crystal shows a higher photocatalytic activity than Ag3PO4 crystal in O2 evolution from water splitting. The improved photocatalytic activity of La-doped Ag3PO4 is attributed to the synergistic effects of porous surface structure, abundant surface defects and increased surface area. The result also shows that La doping concentration has a remarkable effect on the photocatalytic activity of Ag3PO4. [ABSTRACT FROM AUTHOR]

Abstract: Membrane proteins play important roles in many biochemical processes and are also attractive targets of drug discovery for various diseases. The elucidation of membrane protein types provides clues for understanding the structure and function of proteins. Recently we developed a novel system for predicting protein subnuclear localizations. In this paper, we propose a simplified version of our system for predicting membrane protein types directly from primary protein structures, which incorporates amino acid classifications and physicochemical properties into a general form of pseudo-amino acid composition. In this simplified system, we will design a two-stage multi-class support vector machine combined with a two-step optimal feature selection process, which proves very effective in our experiments. The performance of the present method is evaluated on two benchmark datasets consisting of five types of membrane proteins. The overall accuracies of prediction for five types are 93.25% and 96.61% via the jackknife test and independent dataset test, respectively. These results indicate that our method is effective and valuable for predicting membrane protein types. A web server for the proposed method is available at http://www.juemengt.com/jcc/memty_page.php [Copyright &y& Elsevier]

Two new three-dimensional 12-connected metal–organic coordination polymers, [Zn2(bptc)(H2O)]·C2H5OH·H2O (1) and [Cd4(bptc)2(bbi)(H2O)]·H2O (2) (H4bptc=biphenyl-2,5,2′,5′-tetracarboxylic acid, bbi=1,1′-(1,4-butanediyl)bis(imidazole)), have been solvothermally synthesized and structurally characterized by single crystal X-ray diffraction analyses. All compounds are also characterized by elemental analyses, IR spectra, thermogravimetric (TG) analyses and X-ray powder diffraction (XRD). Topological analysis indicates that both 1 and 2 are 12-connected frameworks with fcu topology, which are based on cuboid cage and rob-like {Cd3} subunit as 12-connected nodes, respectively. Furthermore, the luminescence properties of the two compounds were discussed in detail. [ABSTRACT FROM AUTHOR]

Abstract: A large new family of rare-earth metal–cadmium–germanides RE2CdGe2 (RE=Y, Pr, Nd, Sm, Gd–Yb) has been synthesized and structurally characterized. All eleven structures have been established from single-crystal X-ray diffraction data and have been found to belong to the tetragonal Mo2FeB2 structure type (ordered ternary variant of the U3Si2 structure type—space group P4/mbm (No. 127), Z=2; Pearson symbol tP10). The structural variations among the three series of isostructural RE2MgGe2, RE2InGe2, and RE2CdGe2 compounds are discussed, as well as the crystal chemistry changes as a function of the decreasing size of the rare-earth metals (lattice constants a=7.176(2)–7.4589(12)Å and c=4.1273(14)–4.4356(13)Å). The experimental results have been complemented by tight-binding linear muffin-tin orbital (TB–LMTO) electronic structure calculations. [Copyright &y& Elsevier]

Abstract: Co-inhibitory signals from the B7 superfamily have been demonstrated to induce T cell dysfunction in chronic HBV infection (CHB). However, the expression and function of Z39Ig, a new inhibitor of the B7 superfamily, is still unclear in CHB. Here immunohistochemical staining showed that Z39Ig was restricted to macrophages and that its level was decreased significantly in CHB patients compared to healthy controls. Moreover, reduced Z39Ig expression was positively correlated with plasma HBV load but was inversely related to serum alanine aminotransaminase levels. Further, Z39Ig mRNA had a negative relation to IFN-γ in vivo, and IFN-γ also down-regulated Z39Ig expression on monocyte-derived macrophages (MDMs) in a time- and dose-dependent manner in vitro. Interestingly, Z39Ig expression on MDMs was restored when IFN-γ neutralizing antibodies were added to the T cell/MDM co-culture system, indicating that the IFN-γ derived from activated-T cells may contribute to the reduction of Z39Ig in the CHB environment. Our results suggest that T cells can opposite T cell hyporesponsiveness through dampening Z39Ig inhibitory signals from macrophages and thus maintain their anti-viral function in CHB. Therefore, decreasing Z39Ig signals from macrophages could contribute to CHB clinical therapy. [Copyright &y& Elsevier]

[Display omitted] • Two active Mpro inhibitors of SARS-CoV-2 were discovered via docking-based virtual screening and bioassay. • The IC 50 of compound VS10 was 0.20 μM, and the IC 50 of compound VS12 was 1.89 μM. • VS12 may interact Mpro via covalent bond. SARS-CoV-2 is the pathogen that caused the global COVID-19 outbreak in 2020. Promising progress has been made in developing vaccines and antiviral drugs. Antivirals medicines are necessary complements of vaccines for post-infection treatment. The main protease (Mpro) is an extremely important protease in the reproduction process of coronaviruses which cleaves pp1ab over more than 11 cleavage sites. In this work, two active main protease inhibitors were found via docking-based virtual screening and bioassay. The IC 50 of compound VS10 was 0.20 μM, and the IC 50 of compound VS12 was 1.89 μM. The finding in this work can be helpful to understand the interactions of main protease and inhibitors. The active candidates could be potential lead compounds for future drug design. [ABSTRACT FROM AUTHOR]

Accumulating evidence suggests that long non-coding RNAs (lncRNAs) are associated with various complex human diseases. They can serve as disease biomarkers and hold considerable promise for the prevention and treatment of various diseases. The traditional random walk algorithms generally exclude the effect of non-neighboring nodes on random walking. In order to overcome the issue, the neighborhood constraint (NC) approach is proposed in this study for regulating the direction of the random walk by computing the effects of both neighboring nodes and non-neighboring nodes. Then the association matrix is updated by matrix multiplication for minimizing the effect of the false negative data. The heterogeneous lncRNA-disease network is finally analyzed using an unbalanced random walk method for predicting the potential lncRNA-disease associations. The LUNCRW model is therefore developed for predicting potential lncRNA-disease associations. The area under the curve (AUC) values of the LUNCRW model in leave-one-out cross-validation and five-fold cross-validation were 0.951 and 0.9486 ± 0.0011, respectively. Data from published case studies on three diseases, including squamous cell carcinoma, hepatocellular carcinoma, and renal cell carcinoma, confirmed the predictive potential of the LUNCRW model. Altogether, the findings indicated that the performance of the LUNCRW method is superior to that of existing methods in predicting potential lncRNA-disease associations. [Display omitted] • The NC approach regulates the random walk direction by computing the influence of neighboring and non-neighboring nodes. • Based on the similarity networks of LncRNA and disease, false negative data can be reduced through matrix multiplication. • Unbalanced random walk is used to obtain potential association information. [ABSTRACT FROM AUTHOR]

Abstract Three europium chalcogenides, Cu 2 EuSiS 4 (1), Cu 2 EuGeS 4 (2), and Cu 2 EuGeSe 4 (3) were obtained by a high-temperature solid-state method. They crystallize in the noncentrosymmetric space groups P 3 1 21 (1), P 3 2 21 (2), and Ama 2 (3), respectively. Their structures can be described as EuQ 8 bicapped trigonal prisms (btp s) constructed 3 D frameworks, and Cu and Si/Ge atoms occupying the tetrahedral cavities. The 3 D network built by CuQ 4 and Si/GeQ. 4 tetrahedra in 3 is different from that in 1 and 2. Their energy band gaps are determined to 2.36, 2.32, and 1.74 eV for 1 – 3 , respectively. Compound 1 shows typical photoluminescence of Eu2+ ion. All of them show antiferromagnetic-like behaviors, and are not second-harmonic generation-active. Theoretical calculations indicate that 1 and 2 show direct band gaps, while 3 indirect. Graphical abstract Three Cu 2 EuMQ 4 (M = Si, Ge; Q = S , Se) chalcogenides are obtained by solid-state reactions. They crystallize in different structures and their rich optical and physical properties are studied, together with their electronic structures. fx1 Highlights • Three quaternary europium chalcogenides were obtained by a high-temperature solid-state method. • Their optical band gaps are determined. • Their second-order nonlinear optical, photoluminescent, and magnetic properties are studied. • Their electronic structures are calculated. [ABSTRACT FROM AUTHOR]

Toll-like receptors (TLRs) are a class of pattern recognition receptors (PRRs) that can recognize pathogen-associated molecular patterns (PMPs) and play important roles in the innate immune system in vertebrates. In this study, we identified a teleost-specific tlr22 gene from yellow catfish (Pelteobagrus fulvidraco) and its immune roles in response to different pathogens were also determined. The open reading frame (ORF) of the tlr22 was 2892 bp in length, encoding a protein of 963 amino acids. Multiple protein sequences alignment, secondary and three-dimensional structure analyses revealed that TLR22 is highly conserved among different fish species. Phylogenetic analysis showed that the phylogenetic topology was divided into six families of TLR1 , TLR3 , TLR4 , TLR5 , TLR7 and TLR11 , and TLR22 subfamily was clustered into TLR11 family. Meanwhile, synteny and gene structure comparisons revealed functional and evolutionary conservation of the tlr22 gene in teleosts. Furthermore, tlr22 gene was shown to be widely expressed in detected tissues except barbel and eye, with highest expression level in liver. The transcription of tlr22 was significantly increased in spleen, kidney, liver and gill tissues at different timepoints after Poly I:C infection, suggesting TLR22 plays critical roles in defensing virus invasion. Similarly, the transcription of tlr22 was also dramatically up-regulated in spleen, kidney and gill tissues with different patterns after Aeromonas hydrophila infection, indicating that TLR22 is also involved in resisting bacteria invasion. Our findings will provide a solid basis for the investigation the immune functions of tlr22 gene in teleosts, as well as provide useful information for disease control and treatment for yellow catfish. • A teleost-specific toll-like receptor 22 (tlr22) gene was systematically identified in yellow catfish (Pelteobagrus fulvidraco). • Genetic synteny, gene structure, and phylogenetic analyses revealed that tlr22 is highly conserved in teleost. • The distribution pattern of tlr22 was determined, with highest expression level in liver. • Functional experiments revealed TLR22 is involved in resisting both bacterium and virus infections. [ABSTRACT FROM AUTHOR]

The La-Fe montmorillonite (La-Fe MMT) composite was synthesized by a simple precipitation method and was used for the degradation of dyes in both batch and fixed bed experiments. X-ray diffraction (XRD) and high-resolution transmission electron microscope analysis (HRTEM) confirmed the existence of Fe 2 O 3 and La 2 O 3 in the composite. The presence of La enhanced the degradation efficiency of dyes by the composite at neutral pH and results in little iron leaching consequently increasing the lifetime. More than 97% and 96% removal of the MB and RhB (100 mg/L each) by the La-Fe MMT Fenton system could be achieved in less than 1 h. The catalyst also exhibited excellent efficiency in fixed bed reactor with 91% MB degradation corresponds to 65% COD removal, even after 200 h of use. The factors such as solution pH, catalyst dosage, H 2 O 2 dosage and temperature on the degradation of dyes were investigated. Fluorescence and quenchers experiments indicated that OH was the main reactive species for the degradation of dyes. Due to the low cost, efficient reactivity, high stability and low metal leaching, the La-Fe MMT possesses a great potential to be a green catalyst for the heterogeneous Fenton-like degradation of hazardous dyes. [ABSTRACT FROM AUTHOR]

Iron manganese bimetal oxides (IMBO) nanospheres were synthesized via a facile and environmentally friendly template-free approach. The obtained IMBO with large surface area and abundant surface functional groups exhibited excellent performance for heavy metals removal from aqueous solution, with the maximum adsorption capacities of As(V) and Cr(VI) were 132.77 mg/g and 105.96 mg/g, respectively. The adsorption mechanism study confirmed that except for electrostatic attraction, both surface hydroxyl group (OH − ) and carbonate group (CO 3 2− ) simultaneously played a key role in the ion-exchange process with As(V) and Cr(VI) species, which finally formed inner-sphere surface complexes on the interface of IMBO. Furthermore, the remarkable removal of As(V) and Cr(VI) by fixed-bed column was also observed in the presence of various commonly competing anions, and the effective working capacities of IMBO for As(V) and Cr(VI) were approximately 410 pore volume (PV) and 320 pore volume (PV) when the breakthrough point was set at 10 ppb. The exhausted IMBO could be easily regenerated by using a NaOH solution (0.1 M). These results demonstrated that this IMBO was a potential and attractive adsorbent for the decontamination of arsenic/chromium polluted water system. [ABSTRACT FROM AUTHOR]

This study determines the potential of manganese oxide (MnO x ) nanoparticles for the activation of peroxymonosulfate (PMS). The MnO x nanoparticles were prepared by a facile co-precipitation method and the degradation rates of acid red G (ARG) by the as-prepared catalysts in the presence of PMS were measured. The results showed that the Mn 3 O 4 nanoparticles with tetragonal structure exhibited high catalytic activity for the degradation of ARG by activating PMS to generate radicals. The effects of the operational parameters on the catalytic property of the obtained nanosized Mn 3 O 4 catalyst were investigated in detail. The catalyst exhibits excellent catalytic activity in a wide range of pH from 2 to 12. Moreover, it still maintained high catalytic activity even after five reaction cycles, indicating the good stability of the catalyst. In addition, radical quenching studies were carried out to ascertain the dominating radical species and a proper mechanism was also proposed. [ABSTRACT FROM AUTHOR]

There has been a growing interest in alignment-free methods for whole genome comparison and phylogenomic studies. In this study, we propose an alignment-free method for phylogenetic tree construction using whole-proteome sequences. Based on the inter-amino-acid distances, we first convert the whole-proteome sequences into inter-amino-acid distance vectors, which are called observed inter-amino-acid distance profiles. Then, we propose to use conditional geometric distribution profiles (the distributions of sequences where the amino acids are placed randomly and independently) as the reference distribution profiles. Last the relative deviation between the observed and reference distribution profiles is used to define a simple metric that reflects the phylogenetic relationships between whole-proteome sequences of different organisms. We name our method inter-amino-acid distances and conditional geometric distribution profiles (IAGDP). We evaluate our method on two data sets: the benchmark dataset including 29 genomes used in previous published papers, and another one including 67 mammal genomes. Our results demonstrate that the new method is useful and efficient. [ABSTRACT FROM AUTHOR]

Abstract: Infection of influenza virus could induce acute lung inflammatory injury (ALII) that was at least partially caused by excessive innate immune responses. To study whether down-regulating Toll-like receptor (TLR)-mediated innate immune response could lessen influenza virus-induced ALII, a microsatellite DNA mimicking oligodeoxynucleotide (MS ODN), named as SAT05f capable of inhibiting TLR7/9-activation in vitro, was used to treat mice infected with FM1 virus. In parallel, two MS ODNs confirmed with less or no in vitro activities, named as MS19 and MS33, were used as controls. Unexpectedly, SAT05f failed to lessen ALII in the mice, whereas MS19 significantly inhibited the weight loss and displayed dramatic effect on lessening the ALII by reducing consolidation, hemorrhage, intra-alveolar edema and neutrophils infiltration in lungs of the mice. Meanwhile, MS19 could decrease the mortality of influenza virus infected mice and down-regulate TNF-α production in their lungs. The data suggest that MS19 might display its therapeutic role on ALII induced by influenza virus by reducing over-production of TNF-α. [Copyright &y& Elsevier]

Exploration of new compounds belonging to unusual families is always attractive for the everlasting development of material science. Here, three isomorphic rare-earth sulfide borates RE 3 S 3 BO 3 (RE = Nd, Tb, Dy) have been obtained via a facile metal oxide-boron-sulfur solid-state routine. Their centrosymmetric triclinic structures feature 3 D framework built by three types of REO x S y units, viz. REOS 6 , REO 4 S 3 , and REO 3 S 6. Their structural relationship with similar phases and lanthanide contraction rule are discussed. Their optical band gaps are measured to be 2.59–2.70 eV, and the corresponding theoretical calculations are also performed. This work enriches the rarely studied chalcogenide borate system and is conducive to discovering more inorganic materials. Three new rare-earth sulfide borates RE 3 S 3 BO 3 (RE = Nd, Tb, Dy) have been obtained via a facile metal oxide-boron-sulfur solid-state routine. They belong to the only RE 3 S 3 BO 3 family case that three types of REO x Q y units REOS 6 , REO 4 S 3 , and REO 3 S 6 coexist in one structure. The optical properties and theoretical calculations analysis are reported. [Display omitted] • New RE 3 S 3 BO 3 (RE = Nd, Tb, Dy) obtained via a facile metal oxide-boron-sulfur solid-state routine. • RE 3 S 3 BO 3 belong to the rarely studied chalcogenide borate system. • RE 3 S 3 BO 3 structural relation with similar phases and the lanthanide contraction rule are given. • The optical properites and theoretical calculations analysis are performed. [ABSTRACT FROM AUTHOR]

Spinal cord injury (SCI) leads to severe and long-lasting neurological disability. Presently, the lack of effective therapies for SCI is largely attributable to an incomplete understanding of its pathogenesis. F-box and WD repeat domain-containing protein 7 (FBW7, also known as FBXW7) is a type of E3 ubiquitin ligase complex, and plays essential roles in regulating different pathological and physiological processes. In this study, we attempted to explore the effects of FBW7 on SCI progression by the in vivo and in vitro experiments. SCI mice showed significantly reduced expression of FBW7 in spinal cord tissues. Promoting FBW7 expression via intrathecal injection of AAV9/FBW7 effectively improved locomotor function in SCI mice. Neuronal death in spinal cords of SCI mice was obviously ameliorated by FBW7 over-expression, along with greatly decreased expression of cleaved Caspase-3. In addition, microglial activation in spinal cord specimens was detected in SCI mice through increasing Iba-1 expression levels, which was, however, attenuated in SCI mice injected with AAV9/FBW7. Additionally, FBW7 over-expression dramatically restrained inflammatory response in spinal cord tissues of SCI mice, as evidenced by the down-regulated expression of tumor necrosis factor-α (TNF-α) and interleukin 1β (IL-1β) through blocking the activation of nuclear factor-κB (NF-κB) signaling. These anti-inflammatory effects of FBW7 were confirmed in LPS-stimulated mouse microglial BV2 cells. Finally, our in vitro studies showed that conditional medium (CM) collected from LPS-incubated BV2 cells markedly induced apoptosis in the isolated primary spinal neurons; However, this effect was overtly ameliorated by CM from LPS-exposed BV2 cells over-expressing FBW7. Thus, FBW7-regulated inflammation in microglial cells was involved in the amelioration of neuronal apoptosis during SCI development. Collectively, these findings illustrated that FBW7 expression was down-regulated in spinal cords of SCI mice, and promoting its expression could effectively mitigate SCI progression by repressing microglial inflammation and neuronal death. • FBW7 protects mice against SCI in mice. • FBW7 up-regulation alleviates inflammation in SCI mice and in LPS-treated microglial cells. • FBW7 increase alleviates neuronal apoptosis stimulated by LPS. [ABSTRACT FROM AUTHOR]

Immune cells infiltrating the psoriatic skin secrete high amounts of pro-inflammatory cytokines IL-17, TNF-α, IL-21 and IL-36 resulting in chronic inflammation. However, the exact cellular and molecular mechanisms have not been fully understood. We report here elevation of IL-33 expression in psoriatic lesions. Studies in imiquimod (IMQ)-induced mice with psoriatic inflammation confirmed a critical role for IL-33 in driving the disease. IL-33 reduces the CD4+ and CD8+ cells, inhibits autophagy in IMQ-treated mouse skin, and promoted tyrosyl phosphorylation of STAT3. Thus, IL-33 appears to be a major risk factor for severity of psoriasis-like skin inflammation. Our findings may open new perspectives for understanding the mechanisms and developing a therapeutic strategy for psoriasis. [ABSTRACT FROM AUTHOR]

Graphical abstract Abstract Diabetic nephropathy (DN) is a complication of diabetes that is caused by uncontrolled high blood sugar. It has been reported that Salvia miltiorrhiza (SM) possesses the ability to prevent kidney damage, although the mechanisms remain unclear. The study was to investigate whether and how SM improved DN injury via regulation of metabolome and the molecular mechanisms. In this study, SD rats were fed a high glucose / high fat diet accompanied by 0.5% glucose water. Three weeks later, the rats were given one intraperitoneal injection of 30 mg/kg STZ each day for three days for DN model. The biochemical indicators and metabolomics of plasma, urine and renal tissue were analyzed. Then the western blotting analysis of renal tissue and glomerular mesangial cells were investigated. The results showed that Salvia miltiorrhiza extracts improved the renal injury and regulation of abnormal glycolipid metabolism. The metabolites in serum, urine and renal tissues have been changed significantly. The involved metabolic pathways mainly include phospholipid, arachidonic acid, and pyrimidine metabolisms. Meanwhile, SM inhibited the relative expression levels of wnt4, β-catenin and TGF- β in renal tissue and high-glucose induced glomerular mesangial cells. [ABSTRACT FROM AUTHOR]

We investigate the effects of interferon (IFN)-γ on human placenta-derived mesenchymal stromal cells (hPMSCs), in particular, their adhesion, proliferation and migration and modulatory effects on the CD4 + CXCR5 + Foxp3 + Treg subset. And we compared hPMSCs ability to induce the generation of different Treg subsets in response to treatment with IFN-γ. We found that IFN-γ suppressed the proliferation and migration for hPMSCs. The ability of hPMSCs to induce the generation of CD4 + CXCR5 + Foxp3 + Treg subset was enhanced by IFN-γ. And maximal effectiveness of IFN-γ treated hPMSCs upon inducing the generation of Treg subsets was for CD4 + CXCR5 + Foxp3 + Treg subset as compared with that of CD4 + CD25 + Foxp3 + , CD8 + CD25 + Foxp3 + , CD4 + IL-10 + and CD8 + IL-10 + Treg subsets. These results have important implications for the development and application of hPMSCs in clinical use. [ABSTRACT FROM AUTHOR]

Thrombopoietin receptor agonists (TPO-RAs) have been clinically used in primary immune thrombocytopenia (ITP) with favorable outcomes, while their effect on cytokine regulation in ITP remains unknown. In the present study, plasma and mRNA expression levels of interleukin (IL)-2, interferon gamma (IFN-γ), IL-4, IL-17A, and transforming growth factor-β1 (TGF-β1) were determined by ELISA and real-time quantitative PCR in 26 corticosteroid-resistant/relapsed ITP patients receiving eltrombopag or rhTPO therapy and 15 healthy controls (HCs). Results showed that plasma and mRNA levels of IL-2, IFN-γ, IL-4, and IL-17A in ITP patients did not change significantly after TPO-RA treatment, whereas TGF-β1 levels increased remarkably. The pre- and post-treatment plasma and mRNA levels of IFN-γ and IL-2 were significantly higher, while the pre- and post-treatment IL-4 levels as well as the pre-treatment TGF-β1 levels were remarkably lower in ITP patients compared with HCs. There was no significant difference in TGF-β1 levels between TPO-RA-treated ITP patients and HCs. No statistical difference was found in plasma levels of IL-17A between ITP patients before or after treatment and HCs. However, the pre- and post-treatment mRNA expression of IL-17A and retinoic orphan receptor (ROR) γt in ITP patients were higher than that in HCs. Overall, these findings indicated that TPO-RA treatment could promote the secretion of TGF-β1, while it could not correct the Th1 and Th17 polarization in ITP patients. This study might improve our understanding of the mechanism of action of TPO-RAs and provide important information for optimizing therapeutic strategies for ITP. [ABSTRACT FROM AUTHOR]

Phosphites have attracted extensive attention for their abundant open-frameworks and special performances. Here, three inorganic indium phosphites, namely In 2 (HPO 3) 3 (H 2 O) (1), In 2 (HPO 3) 3 (H 2 O) 3 ·(H 2 O) (2) and NH 4 [In(HPO 3) 2 ] (3), have been obtained via facile hydrothermal reactions. 1 and 2 crystallize in the same polar space group P 2 1 , and 3 crystalizes in the polar space group of P 63 mc. Isolated HPO 3 tetrahedra connect to twisted InO 6 octahedra via corner-sharing forming neutral 3D {In 2 (HPO 3) 3 (H 2 O)} ∞ and {In 2 (HPO 3) 3 (H 2 O) 3 } ∞ as well as 2D [In(HPO 3) 2 ]- ∞ frameworks for 1 – 3 , respectively. Second harmonic generation (SHG) effect measurements have shown that their phase-matched SHG signals are 0.17, 0.20 and 0.28 times of KDP. Thermal stability analyses, optical property measurements and theoretical studies of them were also performed. Three different phosphite indium phosphites In 2 (HPO 3) 3 (H 2 O) 1, In 2 (HPO 3) 3 (H 2 O) 3 ·(H 2 O) 2 and NH 4 [In(HPO 3) 2 ] 3 have been successfully achieved in this work. Neutral 3D {In 2 (HPO 3) 3 (H 2 O)} ∞ and {In 2 (HPO 3) 3 (H 2 O) 3 } ∞ for 1 and 2 as well as 2D [In(HPO 3) 2 ]- ∞ frameworks for 3 are built by InO 6 and HPO 3 units. Three polar indium phosphite crystals exhibit SHG-active and phase-matching behaviours. The SHG effects are 0.17, 0.20 and 0.28 times of KDP for 1 to 3. [Display omitted] • Three polar phosphites are obtained. Their structural chemistry with related compounds is discussed. • They both show moderate SHG responses and phase-matchable behaviors. • Theoretical calculations on their electronic structure and optical properties are performed. [ABSTRACT FROM AUTHOR]

Pregestational diabetes mellitus (PGDM) enhances the risk of fetal neurodevelopmental defects. However, the mechanism of hyperglycaemia-induced neurodevelopmental defects is not fully understood. In this study, several typical neurodevelopmental defects were identified in the streptozotocin-induced diabetes mouse model. The neuron-specific class III beta-tubulin/forkhead box P1-labelled neuronal differentiation was suppressed and glial fibrillary acidic protein-labelled glial cell lineage differentiation was slightly promoted in pregestational diabetes mellitus (PGDM) mice. Various concentrations of glucose did not change the U87 cell viability, but glial cell line-derived neurotrophic factor expression was altered with varying glucose concentrations. Mouse maternal hyperglycaemia significantly increased Tunel + apoptosis but did not dramatically affect PCNA + cell proliferation in the process. To determine the cause of increased apoptosis, we determined the SOD activity, the expression of Nrf2 as well as its downstream anti-oxidative factors NQO1 and HO1, and found that all of them significantly increased in PGDM fetal brains compared with controls. However, Nrf2 expression in U87 cells was not significantly changed by different glucose concentrations. In mouse telencephalon, we observed the co-localization of Tuj-1 and Nrf2 expression in neurons, and down-regulating of Nrf2 in SH-SY5Y cells altered the viability of SH-SY5Y cells exposed to high glucose concentrations. Taken together, the data suggest that Nrf2-modulated antioxidant stress plays a crucial role in maternal hyperglycaemia-induced neurodevelopmental defects. [ABSTRACT FROM AUTHOR]

The resource utilization of spent alkaline Zn–Mn batteries (S-AZMB) has always been a hot issue in the field of energy regeneration and environmental protection. The cumbersome and complicated purification process is the reason for their limited recycling. Not long ago, we proved that unpurified S-AZMB can be used directly: construct a Z-scheme photocatalytic system by combining with commercial TiO 2 through high-temperature calcination. In order for this finding to be truly adopted by the application market, the high energy consumption calcination process needs to be improved urgently. In this work, we explore the temperature dependence of performance for the composite photocatalyst (TiO 2 @S-AZMB). A series of experimental results confirm that lowering the calcination temperature not only conducive to improving the separation efficiency of photogenerated electron-hole pairs, but also can significantly improve the environmental adaptability of the catalyst. Specifically, the catalyst synthesized by calcination temperature at 200 °C exhibits higher toluene removal efficiency than that at 500 °C under different initial concentration of pollutants, relative humidity, light intensity and oxygen content. This study not only further improves the photocatalytic performance of the composite catalyst, but also accords with the idea of energy saving and emission reduction, which provides more space for the possibility of recycling S-AZMB. • A series of composite photocatalysts using unpurified S-AZMB as a raw material were synthesized. • The calcination temperature dependence of the photodegradation toluene properties was explored. • A lower calcination temperature beneficial to expand the environmental adaptability of the catalyst. • Catalysts synthesized at low calcined temperature showed excellent structural and performance stability. [ABSTRACT FROM AUTHOR]

SKF-96365 is a TRPC channel antagonist commonly used to characterize the potential functions of TRPC channels in different systems, which was recently reported to induce QTc prolongation on ECG by inhibiting TRPC channels. The present study investigates whether the blockade of cardiac repolarization currents would be involved in the increase of QTc interval. Cardiac repolarization currents were recorded in HEK 293 cells stably expressing human ether-à-go-go-related gene potassium (hERG or hKv11.1) channels, hKCNQ1/hKCNE1 channels ( I Ks ) or hKir2.1 channels and cardiac action potentials were recorded in guinea pig ventricular myocytes using a whole-cell patch technique. The potential effect of SKF-96365 on QT interval was evaluated in ex vivo guinea pig hearts. It was found that SKF-96365 inhibited hERG current in a concentration-dependent manner (IC 50 , 3.4 μM). The hERG mutants S631A in the pore helix and F656 V of the S6 region reduced the inhibitory sensitivity with IC 50 s of 27.4 μM and 11.0 μM, suggesting a channel pore blocker. In addition, this compound inhibited I Ks and hKir2.1currents with IC 50 s of 10.8 and 8.7 μM. SKF-96365 (10 μM) significantly prolonged ventricular APD 90 in guinea pig ventricular myocytes and QTc interval in ex vivo guinea pig hearts. These results indicate that the TRPC channel antagonist SKF-96365 exerts blocking effects on hERG, I Ks , and hKir2.1 channels. Prolongation of ventricular APD and QT interval is related to the inhibition of multiple repolarization potassium currents, especially hERG channels. [ABSTRACT FROM AUTHOR]

New sulfide Ti 0.85 Eu 3 SiS 7 was obtained by a solid-state method. It crystallizes with the chiral space group P6 3 , and the structure can be described as TiS 6 octahedra and SiS 4 tetrahedra constructed polyanionic framework, leaving the cavities for Eu atoms. Both Eu and Ti elements in the structure demonstrate mixed valences, resulting in a very small band gap, which is verified by the XPS and magnetic susceptibility measurement results, and is largely different from the other analogues and exclude the second-harmonic generation activity. The structural chemistry, various characterizations, and theoretical analysis on the structure-property relationship of Ti 0.85 Eu 3 SiS 7 are reported. Both Eu and Ti elements in the structure of Ti 0.85 Eu 3 TiSiS 7 demonstrate mixed valences, which is well characterized and results in their ultra-small band gap and absence of SHG activity. [Display omitted] 1. A new quaternary sulfide Ti 0.75 Eu 3 SiS 7 is obtained via a solid-state reaction. 2. Ti and Eu exhibits variable valences. 3. The variable valences are responsible for the ultrasmall band gap and absence of SHG activity. 4. Theoretical calculations are performed. [ABSTRACT FROM AUTHOR]

Abstract: Extracorporeal photopheresis (ECP) is an effective immunomodulatory therapy and has been demonstrated to be beneficial for graft-vs-host disease and solid-organ allograft rejection. ECP involves reinfusion of a patient’s autologous peripheral blood leukocytes treated ex vivo with 8-methoxypsoralen and UVA light radiation (PUVA). Previous studies focused only on ECP treatment of recipient immune cells. Our study is the first to extend the target of ECP treatment to donor immune cells. The results of in vitro co-culture experiments demonstrate uptake of donor PUVA-treated splenic lymphocytes (PUVA-SPs) by recipient immature dendritic cells (DCs). Phagocytosis of donor PUVA-SPs does not stimulate phenotype maturation of recipient DCs. In the same co-culture system, donor PUVA-SPs enhanced production of interleukin-10 and interferon-γ by recipient DCs and impaired the subsequent capability of recipient DCs to stimulate recipient naïve T cells. Phagocytosis of donor PUVA-SP (PUVA-SP DCs) by recipient DCs shifted T-cell responses in favor of T helper 2 cells. Infusion of PUVA-SP DCs inhibited cardiac allograft rejection in an antigen-specific manner and induced CD4+CD25highFoxp3+ regulatory T cells. In conclusion, PUVA-SP DCs simultaneously deliver the donor antigen and the regulatory signal to the transplant recipient, and thus can be used to develop a novel DC vaccine for negative immune regulation and immune tolerance induction. [Copyright &y& Elsevier]

Abstract: Increased lymphocyte apoptosis has been suggested to contribute to the development of systemic lupus erythematosus (SLE), but the critical factors involved in the apoptotic pathways are still unknown. By long serial analysis of gene expression (LongSAGE) profiles and microarray analyses, a novel apoptosis-related gene BclGL expression was found significantly increased in peripheral blood CD4+ T cells of SLE patients, which was correlated with the enhanced CD4+ T cells apoptosis, anti-nuclear antibody (ANA) titer and proteinuria. In vitro, BclGL expression could be specially upregulated by SLE serum stimulation and positively correlated with induced CD4+ T cell apoptosis. Enforcing BclGL overexpression by lentivirus could directly enhance CD4+ T cell apoptosis, but these apoptosis-inducing effects could be partially inhibited by knockdown of BclGL expression. Collectively, these results indicate that increased BclGL expression may contribute to the aberrant CD4+ T cell apoptosis which causes an inappropriate immune response and impaired homeostasis in SLE. [Copyright &y& Elsevier]

Abstract: Hepatitis B virus (HBV) is a major causative agent of hepatocellular carcinoma (HCC) but the pathogenesis remains poorly understood. To provide novel insights into the pathogenesis of HBV, we examined the expression profile of HBV-positive HepG2.2.15 and -negative HepG2 cells. Genes that were markedly up- or down-regulated in the presence of HBV are involved in signal transduction, apoptosis, transcriptional regulation, protein degradation and oncogenesis. Among the analyzed co-signaling molecules CD40, CD80, CD86, B7-H1, B7-DC, OX40, and B7RP-1, CD40 was the only one up-regulated. Following establishment of stable HepG2 cell lines transfected with HBV genes, we found that HBxAg up-regulated the expression of CD40. We also found that CD40 activation by CD40L could promote the expression of negative co-signaling molecule B7-H1, rather than induce the apoptosis of HepG2HBx cell as expected. These results suggest that CD40 up-regulation by HBxAg may play a facilitating role in the pathogenesis causing HCC. [Copyright &y& Elsevier]

Abstract: Tuberculosis (TB) remains a major global health problem, and successful genetic manipulation of mycobacteria is crucial for developing new approaches to study the mechanism of pathogenesis of Mycobacterium tuberculosis (M.tb) and to combat TB. In this study, a series of M.tb furA gene operator/promoter (pfurA) mutants were generated aiming at optimization of the promoter activities in mycobacterial strains. Measured by the lacZ gene-fusion reporter system, change of the initial codon GTG to the preferred ATG resulted in a double increase of β-galactosidase activity, while a 6-bp substitution in the conserved FurA binding AT-rich region upstream of furA gene led to 4-6 folds increase of the activity. It is significant that combination of both mutations showed about 10 folds of β-galactosidase activity higher than that of the prototype pfurA. Furthermore, all of the furA promoters were expressed continuously in vivo during intracellular growth of Mycobacterium bovis BCG, and were induced early upon infection in macrophages. Employing the series of pfurA-based differential expression vectors, M.tb chimeric antigen Ag856A2 known for its excellent immunogenicity, was shown to be expressed at different levels in the recombinant Mycobacterium smegmatis and BCG strains. These results indicated that this differential expression system is feasible to express any target antigen of interest in a modular fashion for the study of gene regulation in mycobacterial strains, and also for the development of different recombinant BCG vaccine candidates against TB or other infectious diseases, which would be beneficial for elicitation of optimal immune response. [Copyright &y& Elsevier]

Abstract: The effect of antimalarial drugs on immune responses to the malaria infection is evaluated in vivo using two experimental self-cured rodent models. BALB/c and DBA/2 mice were infected by Plasmodium yoelii 17XNL and 17XL strains, respectively, and then treated with different doses of antimalarial drugs: chloroquine (228mg/kg or 114mg/kg of the body weight) or artesunate (78mg/kg or 39mg/kg). The effect of antimalarial drugs on host immune responses was evaluated by parasitemia, splenocyte IFN-γ production level, and parasite-specific IgG level in the serum, however, no significant differences were observed between drug-treated and untreated groups. Moreover, most of the infected mice of all groups showed the ability to resist homologous reinfection (challenged on day 60 post-infection), only a few mice experienced transient, low parasitemia. The rechallenged mice were accompanied by high level of parasite-specific IgG. Therefore, this research implicated that, for BALB/c and DBA/2 mice, chloroquine or artesunate treatment of blood-stage P. yoelii infections does not compromise acquired immunity to malaria in either primary infection or upon rechallenge. [Copyright &y& Elsevier]

Metal chalcogenides are extensively studied as infrared second-order nonlinear optical (NLO) materials. Among the candidates, ones containing cations with lone-pair electrons in the structure have received great interest in view of the lone-pair electrons' special contribution to the NLO property. Here, we revisit such a sulfide Sb 6 Sb 6 S 17 and study its NLO property, which represents a novel structure-type of NLO material. It exhibits phase-matchable second-harmonic generation activity, and the powder sample shows a laser-induced damage threshold (LIDT) around 3.2 times that of AgGaS 2 when both have the particle sizes of 75–110 ​ μ m. Its optical energy gap is measured to be 1.92 ​eV and the powder sample has a transparency range from 0.65 to 25 ​ μ m. The electronic structure and optical property calculations are also performed. Sr 6 Sb 6 S 17 containing isolated Sb 3 S 7 and S 3 trimers exhibits phase-matchable second-harmonic generation activity and a high laser-induced damage threshold of 3.2 times that of benchmark AgGaS 2. Sr 6 Sb 6 S 17 represents a new structure type of middle infrared second-order nonlinear optical material and Sb 3 S 7 trimer can be considered a new type of second-harmonic generation-active functional motif. Image 1 • Sr 6 Sb 6 S 17 containing Sb 3 S 7 and S 3 trimers is revisited by focusing on its nonlinear optical property. • Sr 6 Sb 6 S 17 shows phase-matchable second-harmonic gerenation activity and strong laser-induced damage threshod. • Sr 6 Sb 6 S 17 is the first second-harmonic generation-acitve sulfide containing Sb 3 S 7 trimer. • Theoretical calculations are performed to explain the nonlinear optical property. [ABSTRACT FROM AUTHOR]

Inorganic compounds with mixed anions attract broad interest recently in view of their rich structural chemistry and physical performance. Specifically, chalcogenide borates are receiving increasing attention though they are in their infancy. Here, the chalcogenide borate Zn 8 Se 2 (BO 2) 12 is revisited by focusing on its second-harmonic generation (SHG) activity. Its sodalite cage structure is elucidated in detail and correlates with the SHG behavior. Its optical band gap is determined to be 4.42 ​eV. Theoretical calculations on its electronic structure and optical properties are performed and the results are well consistent with the experimental ones. Besides, the structural chemistry with related structures and possible SHG improvement strategies are discussed. Selenide borate Zn 8 Se 2 (BO 2) 12 with corner-sharing [BO 4 5− tetrahedra was obtained by a high-temperature solid-state reaction. It manifests a wide band gap of 4.42 ​eV and represented second-order nonlinear optical-active, which is around 0.14 times of benchmark KDP. Image 1 • The first chalcogenide borate Zn 8 Se 2 (BO 2) 12 was revisited by a high-temperature solid-state reaction. • Its optical band gap is determined and its sodalite cage structure correlates with the SHG behavior. • Theoretical calculations are performed to explain the NLO property. [ABSTRACT FROM AUTHOR]

Second-order nonlinear optical (NLO) materials in the middle infrared (MIR) region have attracted widespread interest in view of their importance and deficiency to the laser market's requirement. Here, we report a new MIR NLO material Eu 8 Sn 4 Se 20 (1), which represents a new structure type one and the pioneer of the (MII 2 MIVQ 5) n (MII ​= ​divalent alkali-earth metal, Eu, Yb, Pb, and Sn; MIV ​= ​Si, Ge, Sn; Q ​= ​S, Se, Te. n ​= ​1, 2, 4) family. It demonstrates obvious second-harmonic generation (SHG) activity. Its optical band gap is determined to be 1.30 ​eV and its magnetic data exhibits antiferromagnetic-type behavior. Its electronic structure is performed as well. Orthorhombic Eu 8 Sn 4 Se 20 exhibits obvious second-harmonic generation and antiferromagnetic-like behavior. Image 1 • The structural chemistry between Eu 8 Sn 4 Se 20 and related compounds is analyzed. • Eu 8 Sn 4 Se 20 shows obvious second-harmonic generation activity. • Eu 8 Sn 4 Se 20 shows antiferromagnetic-like behavior. • Theoretical calculation on the electronic structure of Eu 8 Sn 4 Se 20 is performed. [ABSTRACT FROM AUTHOR]