Hazard identification of cis/trans-zearalenone through the looking-glass

Among the food-related health issues, the presence of contaminants has a prominent role, due to the wide range of exogenous compounds that can occur in food commodities and to their large differences in structure and biological activity. A comprehensive assessment of the related risk is thus actually demanding in terms of time and facilities involved. In this context, the use of computational strategies can be an effective choice for supporting the hazard identification procedure at the early stage. In this work, we focused on the food contaminant zearalenone by comparing the trans and cis isomers, respectively the well-known mycoestrogen and its still largely understudied isomer. We estimated the possible effects exerted by human metabolism on the xenoestrogenicity of cis-ZEN by using a validated in silico strategy based on docking simulations and rescoring procedures. Similarly, the exploitation of the most promising enzymatic detoxifying routes designed for trans-ZEN – which relies on the enzyme lactono hydrolase from Clonostachys rosea – has been assessed for the cis-isomer as well. Our results showed that both isomers can act as functional analogues with respect to xenoestrogenic activity, and several cis-ZEN metabolites with high biological potential have been identified. On the contrary, in spite of the high degree of structural analogy, the cis isomer showed a pattern of interaction with the degrading enzyme in stark contrast with that observed for trans-ZEN. For these reasons, the outcomes presented herein strongly support the inclusion of cis-ZEN in further studies of occurrence, metabolism and bioactivity assessment, and suggest the need for a dedicated handling for the cis isomer in risk assessment studies.     

Toxicology of 3-epi-deoxynivalenol,a deoxynivalenol-transformation product by Devosia mutans 17-2-E-8

Microbial detoxification of deoxynivalenol (DON) represents a new approach to treating DON-contaminated grains. A bacterium Devosia mutans 17-2-E-8 was capable of completely transforming DON into a major product 3-epi-DON and a minor product 3-keto-DON. Evaluation of toxicities of these DON-transformation products is an important part of hazard characterization prior to commercialization of the biotransformation application. Cytotoxicities of the products were demonstrated by two assays: a MTT bioassay assessing cell viability and a BrdU assay assessing DNA synthesis. Compared with DON, the IC₅₀ values of 3-epi-DON and 3-keto-DON were respectively 357 and 3.03 times higher in the MTT bioassay, and were respectively 1181 and 4.54 times higher in the BrdU bioassay. Toxicological effects of 14-day oral exposure of the B6C3F₁ mouse to DON and 3-epi-DON were also investigated. Overall, there were no differences between the control (free of toxin) and the 25 mg/kg bw/day or 100 mg/kg bw/day 3-epi-DON treatments in body and organ weights, hematology and organ histopathology. However, in mice exposed to DON (2 mg/kg bw/day), white blood cell numbers and serum immunoglobulin levels were altered relative to controls, and lesions were observed in adrenals, thymus, stomach, spleen and colon. Taken together, in vitro and in vivo studies indicate that 3-epi-DON is substantially less toxic than DON.     

The formation and growth of calcium sulfate crystals through oxidation of SO2 by O3 on size-resolved calcium carbonate

Calcium sulfate is a major constituent of atmospheric sulfate, with a typical rod-like morphology ranging from several hundred nanometers to approximately two micrometers observed in field studies. However, the chemical formation mechanism is still not well known. In this study, the kinetics and mechanism for the formation and growth of rod-like calcium sulfate crystals through oxidation of SO₂ by O₃ on size-resolved CaCO₃ at different relative humidity (RH) were investigated using diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and scanning electron microscopy (SEM). We found that the concentration and formation rate of sulfate decreased with the increasing diameter of CaCO₃ particles, and thus smaller particles could enhance the formation of sulfate due to more reactive sites on smaller particles. The rod-like calcium sulfate crystals were formed only at RH above 60% and in the presence of reactant gases through the heterogeneous pathway. The liquid-like water layer formed by promotion of high RH in the presence of reactant gases could facilitate the formation and aggregation of calcium sulfate hydrates and thus promote the formation and growth of rod-like calcium sulfate crystals. This study provides a possible mechanism for the formation and growth of rod-like calcium sulfate crystals existing in the atmosphere.

The heterogeneous formation pathway of rod-like calcium sulfate crystals in the atmosphere.     

Theoretical investigations on azole-fused tricyclic 1,2,3,4-tetrazine-2-oxides

Fused compounds, a unique class of large conjugate structures, have emerged as prime candidates over traditional nitrogen-rich mono-ring or poly-ring materials. Meanwhile, compounds containing catenated nitrogen chains have also attracted attention from scientists due to their high heats of formation. On the other hand, the azoxy [–N N(O)–] moiety has been found to increase density effectively in the molecular structure of compounds. Therefore, combining fused heterocyclic organic skeletons with the azoxy moiety can be regarded as an effective method for increasing the density and heat of formation, which results in substantial increase in detonation properties. Based on the above-mentioned considerations, in this study, a series of new non-hydrogen-containing 5/6/5 fused ring molecules with azoxy moiety structures are designed. Furthermore, their properties as potential high-energy-density materials, including their density, heats of formation, detonation properties, and impact sensitivity, have been extensively evaluated using thermodynamic calculations and density functional theory. Among the investigated compounds, 1,3,8,10-tetranitrodiimidazo[1,5-d:5′,1′-f][1,2,3,4]tetrazine 5-oxide (B), 1,10-dinitrobis([1,2,3]triazolo)[1,5-d:5′,1′-f][1,2,3,4]tetrazine 5-oxide (C) and 2,9-dinitrobis([1,2,4]triazolo)[1,5-d:5′,1′-f][1,2,3,4]tetrazine 5-oxide (D) display remarkable stabilities and are predicted to be high-performance energetic materials due to their high density (>1.94 g cm⁻³), detonation velocity (>9616 m s⁻¹), and detonation pressure (>41.1 GPa). In addition, our design strategy, which combines the azoxy moiety and fused tricyclic skeleton to construct nitrogen-rich molecular structures with high density and positive heat of formation, is a valuable approach for developing novel high-energy-density materials with excellent performance and stability.

In this work, a series of novel non-hydrogen-containing 5/6/5 fused ring molecules with azoxy moiety were designed, some physicochemical or detonation properties of them were calculated.     

Natural developing process of immunoglobulin G4-related sialadenitis after submandibular gland excision: a retrospective cohort study

Clinical Rheumatology - This study aimed to evaluate the long-term outcome and quality of life of IgG4-related sialadenitis (IgG4-RS) patients after submandibular gland (SMG) excision without...     

多模态MRI技术和数值模拟技术用于脑血流灌注研究进展

脑血管疾病发病机制复杂,包括脑实质损伤、脑血流和脑脊液循环异常等。MRI脑血流灌注成像可评估脑结构和功能,结合数值模拟技术及流体间的差异,更准确地描述脑的病理变化。本文就多模态MRI技术结合数值模拟对脑血管疾病的脑血流灌注研究进展进行综述。     

Mannose-binding lectin gene polymorphisms are not associated with susceptibility to severe early childhood caries

Our purpose was to investigate a possible relationship between severe early childhood caries (S-ECC) and polymorphism of the mannose binding lectin gene and investigate the role of allele variant as a possible factor in the susceptibility to S-ECC. Sixty-two Chinese children with S-ECC and 68 caries-free control children were included in this study. Genomic DNA was extracted from buccal epithelial cells of each individual. The identification of MBL B allele was performed by restriction fragment length polymorphism using Ban I restriction enzyme. The frequency of MBL mutant genotype (GGC/GAC and GAC/GAC) was more frequent among children with S-ECC compared with control groups, but did not significantly differ between two groups (x² = 2.82, p > 0.05). There was no significant difference in the allele frequency of codon54 wild type (allele A) between two groups (x² = 2.76, p > 0.05). The present study did not find evidence of MBL codon54 polymorphisms being associated with S-ECC in the population studied, but a larger sample size is necessary to confirm the present results.     

Reliability of a computer-based neurobehavioral assessment test battery for Bangladeshi adolescent children

In developing countries, there is a need for low-cost neurobehavioral (NB) test batteries for vulnerable populations, particularly for children exposed to environmental neurotoxicants. The objective of the current study was to assess the feasibility and test-retest reliability of the Behavioral Assessment and Research System (BARS) in children from a rural community in Bangladesh. Fifty healthy adolescents living in the Health Effects of Arsenic Longitudinal Study (HEALS) area in Araihazar, Bangladesh completed all six tests from the BARS in two test sessions scheduled two weeks apart. The BARS tests evaluated NB functions such as motor coordination, attention, memory, and information processing speed. The reliability assessment, evaluated by test-retest correlations demonstrated moderate to strong correlations (i.e., correlation coefficients ranged from 0.43 to 0.85), which were statistically significant (p < 0.05). Paired t-tests for comparing the test and retest outcomes indicated significant improvement in NB performance, highlighting learning and practice effects. NB performance improved with increasing age in most cases. Adolescent boys performed better than the girls in Finger Tapping, Digit Span, and Simple Reaction Time, whereas the girls performed better in Continuous Performance and Symbol Digit tests. The reliability scores (Pearson’s correlations 0.43−0.85) were consistent with other children studies in different cultural settings. The effects of age and sex on NB tests were also consistent with findings reported in other countries. Overall, the findings of the study support the feasibility of using this computer-based test system to assess vulnerability of brain health due to environmental exposures among rural Bangladeshi children.     

Sequence analysis of the whole genome of a recombinant Marek’s disease virus strain, GX0101, with a reticuloendotheliosis virus LTR insert

Marek’s disease virus Chinese strain GX0101, isolated in 2001, is the first reported recombinant gallid herpesvirus type 2 (GaHV-2) field strain with one reticuloendotheliosis virus (REV) long terminal repeat (LTR) insert. We constructed an infectious bacterial artificial chromosome (BAC) clone of GX0101, which showed characteristics very similar to those of the parental virus in replication and pathogenicity. Using the GX0101 BAC clone, the complete genome of GX0101 was sequenced and analyzed. The length of the GX0101 genome is 178,101 bp, and it contains only one REV-LTR insert at a site 267 bp upstream of the sorf2 gene.     

一步一步做好全瓷修复粘接

随着全瓷材料和微创修复理念的发展,全瓷修复体的临床应用日益广泛。粘接是影响全瓷修复成功的重要因素之一。良好的粘接不仅能为全瓷修复体提供固位和抗力,还能增强修复体边缘封闭、提高修复体美观效果。做好全瓷修复粘接需要3个重要环节:全瓷修复体组织面的粘接处理、预备体表面牙体硬组织的粘接处理以及根据修复体类型正确选择粘接用水门汀。