Chemical composition analysis of Qingyan dropping pills using ultra-high-performance liquid chromatography-quadrupole time-of-flight mass spectrometry.

RATIONALE: This study developed a method for the rapid classification and identification of the chemical composition of Qingyan dropping pills (QDP) to provide the theoretical basis and data foundation for further in-depth research on the pharmacological substance basis of the formula and the selection of quality control indexes. METHODS: Ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF-MS) and data postprocessing technology were used to analyze the chemical composition of QDP. The fragmentation information on possible characteristic fragments and related neutral losses was summarized based on the literature and was compared with the MS data obtained from the assay, and thus a rapid classification and identification of chemical components in QDP could be achieved. RESULTS: A total of 73 compounds were identified, namely 24 flavonoids, 14 terpenoids, 30 organic acids and their esters, 3 alkaloids, and 2 phenylpropanoids. CONCLUSIONS: In this study, UHPLC-Q-TOF-MS and data postprocessing technology were used to realize the rapid classification and identification of the chemical constituents of QDP, which provided a comprehensive, efficient, and fast qualitative analysis method, a basis for further quality control and safe medication of QDP.

Rapid classification and identification of chemical components in three different Zanthoxylum species by ultra-high-performance-liquid chromatography quadrupole-orbitrap-mass spectrometry.

Zanthoxylum, as a medicinal and edible herbal medicine, has a long history and complex chemical composition. There are many varieties of Zanthoxylum, and there are differences in composition between varieties. In this study, a rapid classification and identification method for the main components of Zanthoxylum was established using ultra-high-performance-liquid chromatography quadrupole-orbitrap-mass spectrometry. The components of Shandong Zanthoxylum bungeanum, Wudu Zanthoxylum bungeanum, and Zanthoxylum schinifolium were identified by studying the characteristic fragmentations and neutral losses of characteristic components. A total of 48 common components and 24 different components were identified and the fragmentation patterns of the main components, such as flavonoids, alkaloids, and organic acids were summarized. These findings provided a reference for the study of pharmacodynamic substance basis and quality control of different varieties of Zanthoxylum.

Rapid identification of chemical compositions of three species of Schisandra chinensis by ultra-high-performance liquid chromatography quadrupole-orbitrap-mass spectrometry.

Schisandra chinensis is a traditional Chinese medicine, which has played an important role in the field of medicine and food. In this study, ultra-high-performance liquid chromatography quadrupole-orbitrap-mass spectrometry was used to rapidly classify and identify the chemical compositions. Note that 32, 28, and 30 kinds of compounds were successfully identified from northern Schisandra chinensis, vinegar-processed Schisandra chinensis, and wine-processed Schisandra chinensis, respectively. The cleavage patterns of various components including lignans, organic acids, flavonoids, and terpenoids were summarized, and the effects of different processing methods on Schisandra chinensis were analyzed through chemical composition. This method realized the rapid classification and identification of raw Schisandra chinensis and two different processed products, and provided references for improving the traditional processing methods, strengthening quality control, and ensuring safe clinical application.

Modified paper-based substrates fabricated via electrostatic attraction of gold nanospheres for non-destructive detection of pesticides based on surface-enhanced Raman spectroscopy.

BACKGROUND: Flexible surface-enhanced Raman spectroscopy (SERS) substrates such as paper-based substrates show great potential for rapid detection of residual chemicals on food surfaces. However, controlling the density and distribution of metallic nanoparticles adsorbed on the paper is still challenging. RESULTS: The amount of gold (Au) nanospheres (51 ± 4 nm) attached on the filter paper modified with 3-aminopropyltriethoxysilane (APTES) was tunable, increasing as the level of APTES (2.5-15.0 g kg-1 ) applied for paper modification increased. Moreover, the Au nanospheres were relative evenly distributed on the filter paper modified with 2.5-10.0 g kg-1 of APTES, which resulted in excellent intra- and inter-reproducibility of SERS signals for pesticides including thiram, diquat dibromide, and paraquat dichloride (relative standard deviation = 2.2-10.1%). The modified paper-based substrate could be used to detect as low as 0.05-0.2 mg L-1 of pesticides in standard solutions, and as low as 5-20 ng cm-2 of residual pesticides on apple skins with minimum sample pretreatment. CONCLUSION: This paper-based substrate with tunable feature for the density and distribution of nanoparticles is applicable for rapid SERS detection of residual pesticides in fruits and vegetables. © 2023 Society of Chemical Industry.

HfCl4-Catalyzed [4 + 2] Cycloaddition of ß,γ-Unsaturated α-Keto Esters with Alkynes.

Herein we report Lewis acid HfCl4-catalyzed [4 + 2] cycloaddition between ß,γ-unsaturated α-keto esters and various symmetric or unsymmetric alkynes, giving the desired polysubstituted 4H-pyrans in up to 98% yield and with excellent regioselectivity (>99:1) via a vinyl carbocation under mild conditions.

Guiding the optical vortex along predesigned parabolic trajectories from circular symmetric Airy-like beams.

In this paper, by phase-modulating an optical wavefront on circular symmetric Airy vortex beams, we present the circular symmetric Airy-like vortex beams propagating along predesigned parabolic trajectories. Our result shows that we can realize the propagation of an optical vortex with a closed ring lobe along an accelerating parabolic trajectory within a certain propagation distance by using this kind of phase-modulated circular symmetric Airy beam. The vortex that is superimposed on the beams is able to reproduce after being blocked. Additionally, a single twisted dark channel or multiple tornado dark channels with orbital angular momentum rotating along the predesigned parabolic trajectories can also be formed when we impose the off-axis optical vortex on this kind of beam, which has potential in applications of light capturing.

Accelerating trajectory manipulation of symmetric Pearcey Gaussian beam in a uniformly moving parabolic potential.

We derive analytical solutions that describe the one-dimensional displaced and chirped symmetric Pearcey Gaussian beam in a uniformly moving parabolic potential. The multiple effective manipulations of the beam, which are originated from the diverse configurations of the dynamic parabolic potential, are demonstrated. On the whole, the accelerating trajectory can transform into a linear superposition form of the oblique straight line and the simple harmonic motion. Meanwhile, we discuss the further modulation of the accelerating trajectory characteristics such as slope, amplitude and phase shift. Additionally, the extension into a two-dimensional scenario is also proposed. Our results theoretically improve the practical value of the Pearcey beam, and lead to potential applications in trajectory manipulation and particle manipulation.

Symmetric Pearcey Gaussian beams.

In this Letter, a new, to the best of our knowledge, type of autofocusing and symmetric beam arisen from two quartic spectral phases is introduced in theory and experiment. The symmetric Pearcey Gaussian beam (SPGB), formed with a Gaussian term and two multiplying Pearcey integrals, processes a focusing intensity approximately 1.32 times stronger than the intensity of the symmetric Airy beam. Its four off-axis main lobes split into four bending trajectories symmetrically after focusing. The rectangular intensity distribution and the focal length of the SPGB can be adjusted by two kinds of distribution factors. Additionally, the vortex-guiding property of the beam is demonstrated by embedding an off-axis vortex into the SPGB, which can be applied in particle guiding.

Propagation of the first order annular Bessel Gaussian beams in a uniaxial crystal along the optical axis governed by the Pockels effect.

We investigate the first order annular Bessel Gaussian beams propagating in a strontium barium niobate (SBN) crystal governed by the Pockels effect. The left-hand circularly polarized incident waves propagating along the optical axis in the crystal give rise to the right-hand circularly polarized vortex fields with a topological charge of 2. If an external dc field is applied along the optical axis of the SBN crystal, the anisotropy strength can be controlled rapidly, and the rotational invariance around the optical axis is still maintained. In this case, the normalized intensity in the focal region, the power exchange between left-hand and right-hand components, and the exchange between the spin and orbit contributions of the angular momentum flux can be manipulated. We also consider the case where the incident waves are linearly polarized along the x axis. The cylindrical symmetry of two Cartesian components is broken during propagation due to the anisotropy, and the intensity distribution as well as the polarization state of the beams can be regulated electrically.

Propagation properties and radiation forces of the Hermite-Gaussian vortex beam in a medium with a parabolic refractive index.

In this paper, an analytical expression with a triple sum of the Hermite-Gaussian vortex beam (HGVB) propagating in a medium with a parabolic transverse spatial distribution of the refractive index is carried out. The intensity, phase, Poynting vector, and angular momentum of the HGVB are demonstrated analytically. The parabolic parameter, orders of the HGVB, and vortex topological charge affect the propagation properties, respectively. Also, the Poynting vector and angular momentum of the HGVB are shown so that we can further discover the properties. Furthermore, radiation forces are used to demonstrate the optical trapping ability of the HGVB, and several trapping positions are formed by the beam during propagation.

Switchable Enantioselectivity in Conjugate Alkyne Addition of ß,γ-Unsaturated α-Keto Esters by Asymmetric Binary Acid Catalysis.

Switchable enantioselectivity was uncovered in the enantioselective catalytic conjugate addition of ß,γ-unsaturated α-keto esters with terminal alkynes to the chiral Lewis acid complex of In(BF4)3 and chiral phosphoric acid.

Rapid identification of various chemical components in Cinnamomi ramulus by UPLC-Q-Orbitrap-MS.

Cinnamomi ramulus (CR) is a common Chinese herbal medicine with a long history. It is often used to treat exogenous wind-cold diseases in clinic, but its chemical compositions remain to be studied. In this study, CR was extracted with 75% ethanol, and UPLC-Q-Orbitrap-MS combined with data post-processing method was used to identify the chemical components in the extract. Through this technology, the components in CR can be separated and accurately identified. A total of 61 compounds were identified, including 14 simple phenylpropanoids, 3 coumarins, 5 lignans, 14 flavonoids, 10 benzoic acids, 8 organic acids, and 7 others. This study confirmed the existence of these compounds in CR and speculated the cleavage pathways of each compound, which enriched the mass spectrometry data and cleavage rules. This study can provide a reference for CR and other research.

Rapid detection of thiabendazole residues in apple juice by surface-enhanced Raman scattering coupled with silver coated gold nanoparticles.

In recent years, the excessive use of pesticides has posed significant hazards to the ecological environment and human health in the pursuit of high crop yields. In this work, we developed a simple, sensitive, and eco-friendly approach for rapid detection of thiabendazole in apple juice using surface-enhanced Raman scattering (SERS) coupled with silver-coated gold nanoparticles (Au@Ag NPs). The developed Au@Ag NPs exhibited excellent sensitivity, allowing for the detection of thiabendazole in standard solutions at a minimum concentration of 50 ng/mL. Furthermore, two sample preparation methods were compared for detecting thiabendazole in apple juice. As the direct detection method for SERS analysis failed to detect thiabendazole at levels below the maximum residue limit based on the Chinese standard (3000 ng/mL), the effects of main matrix components in apple juice on the detection of thiabendazole were further investigated. The results revealed that both sugars and organic acids in apple juice interfered with the SERS measurement to varying degrees. Consequently, we optimized the QuEChERS method for sample preparation and achieved a higher sensitivity with a minimum detectable concentration of 250 ng/mL, a limit of detection of 0.06 mg/L and the recoveries of spiked samples were ranged from 80.2 % to 108.6 %. This study demonstrated the feasibility of proposed SERS method for pesticide residue analysis, addressing the need for food safety monitoring.