Study on the binding characteristics of hydroxylated polybrominated diphenyl ethers and thyroid transporters using the multispectral technique and computational simulation

<p>Hydroxylated polybrominated diphenyl ethers (OH-PBDEs) are a class of toxic environmental pollutants that are persistent, bioaccumulative, and difficult to degrade. Their structure is very similar to the thyroid hormone (T4) and uses the body’s thyroid transporter (TTR) binding to interfere with the endocrine balance, disrupting the body’s normal physiological activity. According to Fourier transform infrared spectroscopy and dynamics simulation of <i>do_dssp</i> module analysis, there are three kinds of OH-PBDEs that can induce TTR secondary structural changes. Fluorescence spectra and UV–Vis spectra show that for the three kinds of OH-PBDEs for TTR, the main methods of quenching are static quenching and non-radiative energy transfer. According to thermodynamic analysis, Δ<i>G</i> < 0, Δ<i>H</i> > 0, and Δ<i>S</i> > 0 combine to show that the hydrophobic interaction is the main driving force of the combination. From the molecular docking analysis, it was found that 4′-hydroxy-2,2′,4,5′- tetrabromodiphenyl ether (4′-OH-BDE49) and 4 hydroxy-2,2′,3,4′,5,6,6′- heptabromodiphenyl ether (4-OH-BDE188) had a cationic–π interaction with TTR, whereas 4 hydroxy-2,2′,3,4,5,5′,6- heptabromodiphenyl ether (4-OH-BDE187) was bonded to TTR by hydrogen bonds to form stable complexes. In this paper, we highlight the consistency of spectroscopic experiments and computer simulations so as to provide a reliable analytical method for the toxicological properties of small molecule contaminants.</p

Additional file 3 of Prognostic assessment capability of a five-gene signature in pancreatic cancer: a machine learning based-study

Additional file 3

Additional file 1 of Insights into the multi-chromosomal mitochondrial genome structure of the xero-halophytic plant Haloxylon Ammodendron (C.A.Mey.) Bunge ex Fenzl

Supplementary Material 1: Supplementary Table 1. Haloxylon ammodendron sequence reads archive information of short and long reads data. Supplementary Table 2. Using long-reads to validate potential recombinant DNA sequences based on BLASTn. Supplementary Table 3. The percentage of different genome configurations identified by long-reads in the Haloxylon ammodendron mitogenome. Supplementary Table 4. Results of sequence similarity analysis between chloroplast and mitochondrial genomes of Haloxylon ammondendron. Supplementary Table 5. Alignment of nuclear and mitochondrial genomes of Haloxylon ammodendron. Supplementary Table 6. Microsatellite repeats detected on Haloxylon ammodendron mitogenome. Supplementary Table 7. Tandem repeats results identified in Haloxylon ammodendron mitogenome. Supplementary Table 8. Dispersed repeats results detected in Haloxylon ammodendron mitogenome. Supplementary Table 9. RNA editing sites and conversion type within Haloxylon ammodendron mitochondrial genome. Supplementary Table 10. Relative synonymous codon usage of various amino acids in the Haloxylon ammodendron mitochondrial genome. Supplementary Table 11. List of species employed in the phylogenetic tree construction. Supplementary Table 12. Collinearity analysis results within the selected Caryophyllales specie

Additional file 2 of Prognostic assessment capability of a five-gene signature in pancreatic cancer: a machine learning based-study

Additional file 2

Population Genetic Structure of <i>Glycyrrhiza inflata</i> B. (Fabaceae) Is Shaped by Habitat Fragmentation, Water Resources and Biological Characteristics

<div><p>Background</p><p>Habitat fragmentation, water resources and biological characteristics are important factors that shape the genetic structure and geographical distribution of desert plants. Analysis of the relationships between these factors and population genetic variation should help to determine the evolutionary potential and conservation strategies for genetic resources for desert plant populations. As a traditional Chinese herb, <i>Glycyrrhiza inflata</i> B. (Fabaceae) is restricted to the fragmented desert habitat in China and has undergone a dramatic decline due to long-term over-excavation. Determining the genetic structure of the <i>G</i>. <i>inflata</i> population and identifying a core collection could help with the development of strategies to conserve this species.</p><p>Results</p><p>We investigated the genetic variation of 25 <i>G</i>. <i>inflata</i> populations based on microsatellite markers. A high level of population genetic divergence (<i>F</i>_ST = 0.257), population bottlenecks, reduced gene flow and moderate genetic variation (<i>H</i>_E = 0.383) were detected. The genetic distances between the populations significantly correlated with the geographical distances, and this suggests that habitat fragmentation has driven a special genetic structure of <i>G</i>. <i>inflata</i> in China through isolation by distance. STRUCTURE analysis showed that <i>G</i>. <i>inflata</i> populations were structured into three clusters and that the populations belonged to multiple water systems, which suggests that water resources were related to the genetic structure of <i>G</i>. <i>inflata</i>. In addition, the biological characteristics of the perennial species <i>G</i>. <i>inflata</i>, such as its long-lived seeds, asexual reproduction, and oasis ecology, may be related to its resistance to habitat fragmentation. A core collection of <i>G</i>. <i>inflata</i>, that included 57 accessions was further identified, which captured the main allelic diversity of <i>G</i>. <i>inflata</i>.</p><p>Conclusions</p><p>Recent habitat fragmentation has accelerated genetic divergence. The population genetic structure of <i>G</i>. <i>inflata</i> has been shaped by habitat fragmentation, water resources and biological characteristics. This genetic information and core collection will facilitate the conservation of wild germplasm and breeding of this Chinese medicinal plant.</p></div

Silica Cross-Linked Micelle-Based Theranostic System for the Imaging and Treatment of Acute and Chronic Kidney Injury

Acute kidney injury (AKI) is a common and serious disease with high mortality and morbidity, and the persistent inflammatory environment brought about by AKI promotes its deterioration into chronic kidney disease (CKD). An efficient and timely targeted drug delivery to the renal tubules is crucial for AKI treatment. Here, we prepared silica cross-linked micelles (SCLMs) with different sizes and studied their targeting ability to the injured kidney. It is found that the SCLMs with a size of 13 nm could rapidly accumulate and remain in the damaged kidney. Immunofluorescence results confirmed that SCLMs are selectively located in the damaged tubular cells but cannot be found in healthy renal tissue. Therefore, fluorescent dye-labeled SCLMs were used for the imaging of the injured kidney, which could reflect the status of the kidney injury. Furthermore, atorvastatin, an antioxidative and anti-inflammatory drug, was loaded in SCLMs as the therapeutic agents for the treatment of ischemia/reperfusion-induced AKI and CKD. Renal function indexes, such as tubular necrosis, collagen deposition, and inflammation, were effectively improved after the treatment

Supporting data for Table 1.

(XLSX)</p

Oxygen-Loaded Lipid Nanobubbles for Biofilm Eradication by Combined Trimodal Treatment of Oxygen, Silver, and Photodynamic Therapy

The hypoxic microenvironment of bacterial biofilms is one of the main causes of their recalcitrance. The combined therapy of photodynamic therapy (PDT) and silver nanoparticles (AgNPs) has shown its potential for biofilm eradication. However, hypoxia can not only restrict the efficiency of the oxygen-dependent PDT but also encumber the oxidizing release of the Ag+ cations from the AgNPs, thus greatly impeding the therapeutic performance of the combined treatment. Here, a liposomal delivery system is developed using cationic phospholipid for the synergistic ablation of both Gram-positive and Gram-negative bacteria and their biofilms, which is formed using cationic phospholipid and loaded with oxygen, Ce6, and silver nanoparticles. The positively charged micelles increased the adhesion and penetration to the negatively charged biofilm, and the loaded perfluorohexane (PFH) acted as an oxygen carrier to overcome the hypoxia microenvironment and promoted the performance of PDT. The reactive oxygen species generated in the PDT then stimulated the oxidative dissolution of the Ag+. In vivo antibacterial therapy on mice with subcutaneous abscess demonstrated its strong sterilizing capability on living tissues. This research developed a trimodal treatment for effective biofilm eradication, providing a way for the management of biofilm-associated infections

The diagnostic performance of the SAT, ELISA and Brucellacapt.

The diagnostic performance of the SAT, ELISA and Brucellacapt.</p

Supplementary statistical analysis and results.

(DOCX)</p