Current Analytical Chemistry - Online First

Mango is a kind of popular fruit in consumer market, which is rich in nutrients, fiber, and vitamins. People have different taste preferences for different varieties of mango. Near-infrared (NIR) spectroscopy is a non-destructive, green, and economical technology that serves for rapid detection. Several machine learning methods are applied for deep mining from the detected NIR data. It is beneficial for consumers to give rapid recognition of the cultivar of mangos.

Partial least squares discrimination analysis (PLS-DA), support vector machine (SVM), back propagation neural network (BPNN), and convolutional neural network (CNN) are taken into consideration for model training. Grid search on parametric scaling is carried out for model optimization based on these methods. A special design of a dual-convolutional neural network (dCNN) is proposed and validated.

For the comparison of different methods, the optimal SVM, PLS-DA, BPNN, and CNN methods observed the discrimination accuracy of 86.49%, 83.68%, 85.61%, and 88.60% for model training, respectively. The proposed dCNN method performs better in the model testing progress than all of the conventional methods, observing the highest accuracy of 89.34%.

Results reveal that most of the machine learning methods are effective as the chemometric support to the NIR technology in the application of mango classification. They are prospectively applied to other analytes for data mining in the field.

The proposed dCNN architecture is validated as feasible to improve the model prediction effect, which is expected to help widen the application of the green and economical NIR technology.

This study aims to identify key genes by analyzing gene expression changes induced by prolonged sleep deprivation (SD) and to explore their potential relationship with immune regulation and neurobehavioral disorders.

Microarray data of SD at different time points were obtained to screen differentially expressed genes (DEGs). The functions of DEGs and the biological pathways involved were explored. Additionally, significant DEGs were screened as key genes for SD. Finally, immune scores and immune cell scores were calculated. The relationships between key genes, immune scores, and immune-related pathways were explored.

The relevant DEGs were identified, including USP32P1, TREML1, PF4V1, GPR146, DEFA1B, and CLEC1B. Among these, CLEC1B, GPR146, PF4V1, and TREML1 were upregulated in SD samples, while DEFA1B and USP32P1 were downregulated. These key genes were involved in the biological processes, including DNA repair, KRAS signaling, and the PI3K-AKT signaling pathway. Furthermore, PF4V1, GPR146, TREML1, and CLEC1B exhibited a significant negative correlation with immune scores and were closely associated with various immune regulatory pathways, like antigen processing and presentation, B cell receptor signaling, and T cell receptor signaling pathways.

This study, based on microarray data, investigated the dynamic changes in gene expression induced by SD and their underlying mechanisms. Six key genes with differential expression levels and distinct enriched biological processes were identified.

The altered expression of 6 identified genes induced by SD and their underlying molecular mechanisms may provide a foundation for the early diagnosis and personalized treatment of SD-related diseases.

Paclitaxel from Taxus chinensis contains medicinal properties to treat various cancer diseases. Thus, extracting paclitaxel from Taxus chinensis had aroused a wide of research interests.

Ultrasonic-assisted extraction (UAE) has high extraction efficiency, and natural deep eutectic solvents (NADESs) have the advantages of being green, natural, and non-toxic. As a result, the UAE-NADES were introduced to extract paclitaxel from Taxus chinensis. The ideal NADES composed of choline chloride and malic acid was achieved at a molar ratio of 1:1, with the optimal extraction parameters identified through single-factor experiments. Response Surface Methodology of rotatable Central Composite Design (RSM-rCCD) was applied to further optimize the extraction conditions.

The ultimate optimum circumstances of ultrasonic power is 240 W, extraction time is 49 min, solid/liquid ratio is 1:18, extraction temperature is 38°C, and the maximum extraction yield reached 5.94 mg/g. Their IC50 values of paclitaxel extract for free radicals of DPPH (2,2-diphenyl-1- picrylhydrazyl), ABTS (2,2’-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid)) and OH (Hydroxyl) were 20.53, 40.79 and 270.98 mg/L, respectively.

Compared with traditional solvents, NADES has higher extraction efficiency and yield for paclitaxel from Taxus chinensis.

This article demonstrates the increased extraction yield of paclitaxel, which has strong antioxidant activity.

Pedicularis kansuensis Maxim. is a commonly used Tibetan medicine that has been used for a long time to clear heat and detoxify, remove dampness and diuresis, treat sores, and nourish. It has favorable biological activities such as anti-inflammatory, antioxidant, and anti-fatigue. However, to date, only a handful of studies have utilized traditional separation and purification methods to investigate the chemical constituents of Pedicularis kansuensis Maxim. This scarcity of comprehensive and systematic research on its chemical composition impedes the further exploration of its biological activity and clinical applications.

It is imperative to develop an effective, dependable, and expeditious methodology for the systematic analysis and comprehensive characterization of the diverse chemical constituents found in Pedicularis kansuensis Maxim through cracking pathways and patterns.

This study used negative ion mode UHPLC-QTOF-MS/MS and 8 reference standards to comprehensively investigate the collision-induced dissociation tandem mass spectrometry (CID-MS/MS) fragmentation pathway of chemical components in Pedicularis kansuensis Maxim. A method based on ultra-high performance liquid chromatography and quadrupole time-of-flight mass spectrometry combined with data analysis software was established for screening and identifying targeted and non-targeted components of Pedicularis kansuensis Maxim.

A total of 150 compounds were identified in Pedicularis kansuensis Maxim, including 43 acylglucoside, 36 iridoid glycosides, 19 lignans, 41 flavonoids, and 11 other compounds.

This research has meticulously crafted an efficient and comprehensive methodology for the detection of intricate compounds. It has been successfully implemented in the analysis and identification of chemical constituents within Pedicularis kansuensis Maxim, thereby laying a solid foundation for further in-depth exploration of this species. Moreover, this work serves as a valuable reference for the study of other traditional Chinese medicinal herbs.

The cyclodextrin-based metal-organic complex (CD-MONT-2) exhibits Pb (II)-rings-based luminescence and water-stable properties. In this paper, it was successfully utilized as a multifunctional material, applied as a fluorescent probe for Ag⁺ and an adsorbent for Congo red.

X-ray powder diffraction analysis (PXRD), fluorescence analysis (FL), UV-Vis spectroscopy (UV-Vis), Fourier infrared spectrum (FTIR), X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM) and SEM X-ray energy dispersive spectrum (SEM-EDS) were employed to study and prove the mechanism Ag2O-involved.

The fluorescence intensity clearly decreases as Ag+ solution (1 mM in H2O) is added continuously. At a dose of 1.67 mM, the maximum fluorescence “turn-off” condition is reached, and at 432 nm, the fluorescence quenching percentage is almost 65%. ^{The adsorption capacity ofCD-MONT-2for Congo Red is 22.95 mg/g, with a removal rate of 71.98%.} Methyl orange follows with an adsorption capacity of 7.46 mg/g and a removal rate of 22.83%. The adsorption ability of rhodamine B by CD-MONT-2 is poor, the adsorption amount is 6.76 mg/g, and the removal rate is 19.75%.

The multifunctional CD-MONT-2 is utilized as an Ag⁺ probe through fluorescence quenching and naked-eye detection with good sensitivity and selectivity. The max fluorescence quenching percentage is 65% with the Ag⁺ concentration of 1.67 mM, and the LOD is calculated to be 0.3856 mM. As an adsorbent, we found that the Congo red (anionic dyes) could be efficiently adsorbed. The adsorption performance may come from the mutual attraction of positive and negative charges, and the interaction between CD-MONT-2-OH and Congo red-NH2. The kinetic results indicate that the adsorption process of CD-MONT-2 on CR is more in line with the pseudo second-order kinetic fitting model and is influenced by chemical reactions.

Particulate matter poses a significant risk to human health, particularly fine particulate matter, as it is difficult to eliminate and leads to severe health issues. Conversely, urban woody plants are experiencing ambient pollution directly and continuously adjusting to the dynamic contaminants, thereby improving the urban environment for their living circumstances. Thus, studies conducted at the level of individual leaves can offer important insights into the productivity of an ecosystem.

Leaf samples from three common woody plant species (Acer platanoides, Fraxinus excelsior, and Tilia tomentosa) in Budapest, Hungary, were collected throughout a vegetation phase. After ultrasonic wash-off, the chemical properties of dust deposits on the leaf surface were investigated.

Our results showed a higher concentration of wash-off fine particulate from F. excelsior than from A. platanoides and T. tomentosa, and the precipitation, maximum wind speed, and ambient particulate matter content did not demonstrate a significant impact on it. Thus, the fine particulate matter washed off from woody plant leaves involves a more dynamic and complex procedure. The analysis of chemical parameters demonstrated the interaction of particulate matter and the leaves; pH values varied, and the total electric conductivity was significantly higher than the accepted limits. The excessive concentration of sulphate and chloride in wash-off particulate matter indicated significant interference caused by human activities and secondary suspension.

Given that F. excelsior is more susceptible to having wash-off fine particulate matter, which can contribute to secondary suspension, the capability of A. platanoides and T. tomentosa to retain fine particulate may contribute to their effects in phytoremediation.

Combination therapy with polyphenol-rich natural spices has gained acceptance as a proactive approach for modulating human health owing to the COVID-19 pandemic. However, bioavailability is a significant hurdle in determining the actual potential of any herbal drug.

To improve the absorption of herbal drugs and to enhance their ability to affect the immune system, phospholipid complexes were developed for accommodating Curcumin with extracts of commonly found dietary spices like Piper longum, Piper nigrum, and Zingiber officinale aiming to have an effective immunomodulatory phytoformulation subduing the bioavailability limitation of Curcumin and delivery hurdle of phytoextracts for combination therapy. Since combination therapy with polyphenol-rich natural spices had surfaced as an effective mode of immunomodulation, phospholipid complexes were designed for encapsulating polyphenol-rich natural spices and Curcumin together and assessed for the most efficient phospholipid complexes with improved invitro therapeutic outcomes.

A quick and easy procedure for assessing the developed formulation using High-Performance Thin-Layer Chromatography (HPTLC) was developed. Antioxidant potential was measured by DPPH and Lipid peroxidation. Further immunomodulation was assessed in macrophages by NO inhibition assay and phagocytosis capacity.

The results showed that polyherbal phospholipid complexes exerted 2-fold enhanced antiradical properties (DPPH radical scavenging and inhibition of lipid peroxidation) as compared to Curcumin and significant inhibition of ROS in H2O2-induced human macrophages. Moreover, these polyherbal formulations were more effective in promoting macrophage proliferation, inhibiting LPS-induced NO production in macrophages, and enhancing phagocytosis in a dose-dependent manner.

Thus, phospholipid complexes offer a practical approach for developing nutraceuticals with augmented bioactivity of herbal components.

Liubao tea residues, often discarded as waste, may contain valuable bioactive compounds as polysaccharides. To characterize the physicochemical properties of polysaccharides extracted by 4 mol/L KOH (KTP) and investigate its effects on macrophage activation and immune response.

KTP was extracted using an alkaline method. Physicochemical characterization was performed using monosaccharide analysis, molecular weight assessment, FT-IR spectroscopy, XRD, and NMR spectroscopy. Immunomodulatory effects were evaluated through macrophage activation assays, focusing on NO production, cytokine release, and NF-κB pathway modulation.

Monosaccharide analysis identified KTP as a composite of arabinose, mannose, galactose, glucose, and xylose with distinct variations in abundance. Molecular weight analysis revealed KTP as a heterogeneous polysaccharide with fractions KTP-1 and KTP-2 of different molecular sizes. Structural characterization analysis showed specific functional groups, bond arrangements, and helical conformations, elucidating KTP’s intricate surface morphologies and semi-crystalline nature. Additionally, immunomodulatory studies demonstrated KTP’s activation of macrophage pathways via the NF-κB pathway, increasing nitric oxide (NO) and pro-inflammatory cytokine production dose-dependently.

This study reveals KTP's rich structural diversity and potent immunomodulatory activity, highlighting its potential as a natural immune booster and possible application in developing functional foods.