Enhanced model iteration algorithm with graph neural network for diffuse optical tomography.

Diffuse optical tomography (DOT) employs near-infrared light to reveal the optical parameters of biological tissues. Due to the strong scattering of photons in tissues and the limited surface measurements, DOT reconstruction is severely ill-posed. The Levenberg-Marquardt (LM) is a popular iteration method for DOT, however, it is computationally expensive and its reconstruction accuracy needs improvement. In this study, we propose a neural model based iteration algorithm which combines the graph neural network with Levenberg-Marquardt (GNNLM), which utilizes a graph data structure to represent the finite element mesh. In order to verify the performance of the graph neural network, two GNN variants, namely graph convolutional neural network (GCN) and graph attention neural network (GAT) were employed in the experiments. The results showed that GCNLM performs best in the simulation experiments within the training data distribution. However, GATLM exhibits superior performance in the simulation experiments outside the training data distribution and real experiments with breast-like phantoms. It demonstrated that the GATLM trained with simulation data can generalize well to situations outside the training data distribution without transfer training. This offers the possibility to provide more accurate absorption coefficient distributions in clinical practice.

Quantification adsorption mechanisms of arsenic by goethite-modified biochar in aqueous solution.

In this study, rice straw biochar (BC), goethite (GT), and goethite-modified biochar (GBC) were prepared and their differences in adsorption characteristics and mechanisms of arsenic were explored to provide theoretical and data reference for future design of modified biochar, aiming to address adsorption mechanism weakness and improve the efficiency of arsenic removal in water. Various characterization methods were employed to evaluate the influence of pH, adsorption kinetics, isotherms, and chemical analyses of the materials. At temperatures of 283 K, 298 K, and 313 K, the maximum actual adsorption capacity followed the order GBC > GT > BC, while at 313 K, the maximum Langmuir adsorption capacity of GBC reached 149.63 mg/g which was 95.92 times that of BC and 6.27 times of GT. Due to precipitation and complexation mechanisms, GBC exhibited more superior arsenic adsorption capacities than BC and GT, contributing to total adsorption ranging from 88.9% to 94.2%. BC was dominated by complexation and ion exchange mechanisms in arsenic adsorption, with contribution proportions of 71.8%-77.6% and 19.1%-21.9%, respectively. In GT, the precipitation mechanism played a significant role in total adsorption, contributing from 78.0% to 84.7%. Although GBC has significant potential for removing arsenic from aqueous solutions, the findings suggest that its ion exchange capacity needs improvement.

Evaluation of quality change in Salviae miltiorrhizae radix et rhizoma during drying by LF-NMR and HPLC.

Salviae miltiorrhizae radix et rhizoma (Danshen, in Chinese) is one of the traditional Chinese medicines commonly used in clinical practice. In this study, low field nuclear magnetic resonance (LF-NMR) was used to detect changes in the moisture content during the drying of Danshen. Three water states (bound, immobilized, and free) in Danshen were investigated by multi-exponential fitting of the NMR data. Mass changes during drying were analyzed using high-performance liquid chromatography and partial least squares discriminant analysis. The results revealed that two components, salvianolic acid B and tanshinone, were the main chemical substances that produced the differences. Correlations were found among chemical substances, color, and moisture. LF-NMR can quickly assess the moisture content during drying. It also provides a practical tool for the production and processing of medicines or slices.

Analysis of Chemical Constituents of Traditional Chinese Medicine Jianqu before and after Fermentation Based on LC-MS/MS.

OBJECTIVE: To detect the chemical constituents in Jianqu samples under different fermentated states by using UPLC-QTOF-MS/MS technology, to conduct preliminary analyses, and to establish an HPLC method for the simultaneous determination of hesperidin and naringenin in Jianqu, and the variation of the two components during fermentation were compared. METHODS: Waters ACQUITYTM UPLC HSST3 column (2.1 mm × 100 mm, 1.8 µm) was used; the mobile phase was 0.1% formic acid aqueous solution (A)-0.1% formic acid acetonitrile (B); The flow rate was 0.4 mL·min-1 with gradient elution; the column temperature was 45 °C; injection volume was 5 µL. The mass spectra of the samples were collected by negative ion mode under the electrospray ion source, and the data were screened and matched by UNIFI software. Hypersil gold C18 column (100 mm × 2.1 mm, 1.9 µm) was used; the mobile phase was acetonitrile (A)-0.1% acetic acid (B);; the flow rate with gradient elution was 0.3 mL·min-1; the column temperature was 30 °C; the injection volume was 2 µL. The content changes of hesperetin and naringenin in Jianqu at different fermentation time were detected. RESULTS: A total of 54 compounds were identified, including flavonoids, amino acids, organic acids, terpenoids, coumarins, lignans, and other compounds. Under the selected HPLC conditions, the linear relationship between hesperidin and naringenin was discovered (r2 = 0.9996). The content of hesperidin and naringenin changed significantly in the whole fermentation process. The highest concentration of content was observed at 36 h of fermentation and then decreased to varying degrees. CONCLUSION: This experiment can effectively identify various chemical components in Jianqu during different fermentation periods, and determine the content of the characteristic components, so as to provide a scientific basis for further study of Jianqu fermentation processing technology as well as a sound pharmacodynamic material basis.

Honokiol Suppressed Pancreatic Cancer Progression via miR-101/Mcl-1 Axis.

BACKGROUND: Pancreatic cancer is one of the most aggressive malignancies. The present study aimed to examine the anti-tumor effects of honokiol in pancreatic cancer and to explore the underlying molecular mechanisms. MATERIALS AND METHODS: In vitro functional assays determined pancreatic cancer cell proliferation, apoptosis and invasion. Xenograft nude mice model determined the in vivo anti-cancer effects of honokiol. Luciferase reporter assay determined the interaction between miR101 and myeloid cell leukemia-1 (Mcl-1). RESULTS: Honokiol concentration-dependently suppressed pancreatic cancer cell viability. In addition, honokiol increased the caspase-3 activity and cell apoptotic rates, induced cell cycle arrest at G0/G1 phase, and inhibited cell invasion in pancreatic cancer. Interestingly, honokiol treatment induced up-regulation of miR-101 in pancreatic cancer cells. Knockdown of miR-101 attenuated the honokiol-induced cell apoptosis and inhibition in cell invasion of pancreatic cancer cells. On the other hand, miR-101 overexpression induced cell apoptosis and inhibited cell viability and invasion in pancreatic cancer. Further mechanistic study verified that Mcl-1 was negatively regulated by miR-101, and Mcl-1 overexpression counteracted the tumor-suppressive effects of honokiol on the pancreatic cancer cells. In vivo studies showed that honokiol dose-dependently suppressed tumor growth of pancreatic cancer in the nude mice and up-regulated miR-101 expression but down-regulated Mcl-1 expression in tumor tissues. CONCLUSION: Our data showed that honokiol suppressed pancreatic cancer progression via miR-101-Mcl-1 axis. Honokiol could be a promising candidate for cancer prevention and/or therapeutic treatment for pancreatic cancer.

Catalpol inhibits cell proliferation, invasion and migration through regulating miR-22-3p/MTA3 signalling in hepatocellular carcinoma.

Hepatocellular carcinoma (HCC) is the most common type of liver malignancy with high rates of recurrence and mortality worldwide. Unfortunately, effective strategies for the management of HCC are still unsatisfactory. The aim of this investigation is to explore the effects of catalpol on HCC progression and investigated the mechanistic functions of catalpol in HCC. Catalpol significantly suppressed cell viability, caused the suppression in colony growth, decreased number of invaded and migrated HCC cells, and increased the rates of apoptotic cells and proportions of HCC cells at G0/G1 cell cycle phase. Furthermore, catalpol dramatically up-regulated miR-22-3p expression in HCC cells, and knockdown of miR-22-3p attenuated the anti-tumor effects of catalpol in HCC. Additionally, results from luciferase reporter assay demonstrated that miR-22-3p targeted the metastasis associated 1 family member 3 (MTA3) 3'untranslated region (3'UTR), and miR-22-3p down-regulated MTA3 expression in HCC cells. Overexpression of MTA3 enhanced HCC cell proliferative abilities, increased the number of invasive and migratory HCC cells, and also attenuated the anti-tumor potentials of catalpol in HCC. Catalpol suppressed HCC tumor growth and increased miR-22-3p expression, while down-regulated MTA3 expression in dissected tumor tissues from xenograft nude mice. Collectively, our results for the first time revealed the anti-tumor potentials of catalpol in HCC, and the anti-tumor effects mediated by catalpol were via modulating the miR-22-3p/MTA3 axis in HCC.

Interfacial synthesis of a three-dimensional hierarchical MoS2-NS@Ag-NP nanocomposite as a SERS nanosensor for ultrasensitive thiram detection.

Interfacial self-assembly of ordered nanostructures at oil-water interfaces towards the fabrication of nanofilms has attracted the interest of plenty of scientists, since its discovery in 2004. Herein, further developments have been achieved, and we report a new strategy for the synthesis of a three-dimensional (3D) hierarchical nanostructure, through an interfacial synthesis driven microemulsion process. Thus, the synthesis route has been simplified, with the rigorous experimental conditions of traditional compositing technology. Combined with a two-step seed-mediated growth method for preparing uniform Ag-NPs, a plasmonic 3D MoS2-NS@Ag-NP nanostructure was successfully developed as a Surface-Enhanced Raman Scattering (SERS) active substrate, with plenty of surface hot spots, leading to an enhancement factor (EF) of 1.2 × 108 derived from both electromagnetic mechanism (EM) and chemical mechanism (CM) effects. The 3D MoS2-NS@Ag-NP nanostructure can be applied to detect trace thiram in apple juice and local lake water, with a detection limit as low as 10 ppb (42 nM), which is much lower than the maximal residue limit (MRL) of 7 ppm in fruit prescribed by the U.S. Environmental Protection Agency (EPA). Furthermore, quantitative analysis was achieved in the range of 10 ppb-1 ppm with good homogeneity and selectivity.

[Determination of trace elements in mylabris before and after being processed].

OBJECTIVE: To discuss the processing principle of Mylabris by comparing the differences between the contents of 11 trace elements in Mylabris before and after being processed. METHODS: Used Flame AAS, Graphite Furnace AAS and Hydride generation AAS to determine the content of Cu, Mn, Zn, Fe, Mg, Ca, K, Pb, Cd, As and Hg elements in Mylabris samples. RESULTS: The sequence of 11 trace elements contents in the Mylabris samples from high to low was: K > Mg > Fe > Ca > Zn > Mn > Cu > Pb > As > Hg > Cd. In Mylabris after being processed, the contents of Pb, As, Hg, Cd and Fe elements decreased, Cu, Mg and Ca increased; In the head, legs and wings of Mylabris, the contents of Hg and Pb elements were higher than those of the other parts. The content of As in the inner wings was the highest. CONCLUSION: The traditional processing method, stir-frying with rice and removing head, legs and wings is scientific.

[Comparison of cinnamic acid contents in Rhizoma Typhonii before and after being processed].

OBJECTIVE: To compare the diversity of contents of Cinnamic acid in Rhizoma Typhonii before and after being processed. METHODS: RP-HPLC. RESULTS: There were great difference of the contents of Cinnamic acid in various batch. The contents degraded after had been processed. CONCLUSION: Cinnamic acid in Rhizoma Typhonii can be separated completely under the condition of RP-HPLC. Precision and reproduction of the method is preferable. The method is simple, convenient, reliability and can be as a kind of method to determine the contents for Rhizoma Typhonii.