Mass spectrometry imaging: new eyes on natural products for drug research and development.

Natural products (NPs) and their structural analogs represent a major source of novel drug development for disease prevention and treatment. The development of new drugs from NPs includes two crucial aspects. One is the discovery of NPs from medicinal plants/microorganisms, and the other is the evaluation of the NPs in vivo at various physiological and pathological states.

Active constituents and mechanisms of Respiratory Detox Shot, a traditional Chinese medicine prescription, for COVID-19 control and prevention: Network-molecular docking-LC-MS analysis.

Objective: Lung-toxin Dispelling Formula No. 1, referred to as Respiratory Detox Shot (RDS), was developed based on a classical prescription of traditional Chinese medicine (TCM) and the theoretical understanding of herbal properties within TCM. Therapeutic benefits of using RDS for both disease control and prevention, in the effort to contain the coronavirus disease 2019 (COVID-19), have been shown.

Ionothermal Synthesis of Metal Chalcogenides MAgSbS (M = Rb, Cs) Displaying Nonlinear Optical Activity in the Infrared Region.

Two interesting non-centrosymmetric metal chalcogenides, RbAgSbS and CsAgSbS, were synthesized by an ionothermal approach. Crystals of compounds RbAgSbS and CsAgSbS possess isomorphic configuration, consisting of two-dimensional (2D) anionic networks [AgSbS], which are split by alkali-metal M cations. The band gaps are 2.

Pressure-Induced Superconductivity and Flattened Se Rings in the Wide Band Gap Semiconductor CuISe.

The two major classes of unconventional superconductors, cuprates and Fe-based superconductors, have magnetic parent compounds, are layered, and generally feature square-lattice symmetry. We report the discovery of pressure-induced superconductivity in a nonmagnetic and wide band gap 1.95 eV semiconductor, CuISe, with a unique anisotropic structure composed of two types of distinct molecules: Se rings and CuI dimers, which are linked in a three-dimensional framework.

Exploring lipid markers of the quality of coix seeds with different geographical origins using supercritical fluid chromatography mass spectrometry and chemometrics.

Background: Lipids, a group of primary metabolites, could be used as quality markers of Traditional Chinese medicine.

Purpose: The present study was designed to develop a research method to explore lipid markers of the quality of coix seeds with different geographical origins.

Study Design: The geographical origins of coix seeds were divided into three regions based on the latitude.

Green Quantification Strategy Combined with Chemometric Analysis for Triglycerides in Seeds Used in Traditional Chinese Medicine.

Triglycerides are the primary constituents of some seed kernels used in traditional Chinese medicine. Quality control of seed kernels containing multiple components with an environmentally friendly method is indispensable for establishing their quality standards (called monographs) in pharmacopeia. Using coix seeds (Semen Coicis) as an example, a green quantification strategy was proposed by combining C core-shell particles with single standard to determine multicomponent technologies to quantify seven triglycerides simultaneously.

Anti-proliferation activity of terpenoids isolated from Euphorbia kansui in human cancer cells and their structure-activity relationship.

Euphorbia kansui is a commonly used traditional Chinese medicine for the treatment of edema, pleural effusion, and asthma, etc. According to the previous researches, terpenoids in E. kansui possess various biological activities, e.

A new method for the preparation of a [Sn(HPO)]Br SHG-active polar crystal via surfactant-induced strategy.

Herein, unprecedented NLO-brominated tin hypophosphites, namely [Sn(HPO)]Br, were discovered via a facile surfactant-induced method, which displayed a moderate powder SHG intensity (3.0 × KDP) in type - I phase matching behavior. This complex has high chemical and thermal stability at room temperature.

A feasible, economical, and accurate analytical method for simultaneous determination of six alkaloid markers in Aconiti Lateralis Radix Praeparata from different manufacturing sources and processing ways.

Aconiti Lateralis Radix Praeparata (Fuzi) is a commonly used traditional Chinese medicine in clinic for its potency in restoring yang and rescuing from collapse. Aconiti alkaloids, mainly including monoester-diterpenoidaconitines (MDAs) and diester-diterpenoidaconitines (DDAs), are considered to act as both bioactive and toxic constituents. In the present study, a feasible, economical, and accurate HPLC method for simultaneous determination of six alkaloid markers using the Single Standard for Determination of Multi-Components (SSDMC) method was developed and fully validated.

Development of specific and quantitative methods for the quality control of the polysaccharides from sea-tangle and sargassum.

Polysaccharides from numerous traditional Chinese medicines have been proven as the bioactive ingredients and are hence used as the quality control markers. However, the assessment criteria always show a poor specificity, due to the lack of systematic comparison among the analogous herbs. In the present study, two similar materials, namely sea-tangle and sargassum, were selected as the model herbs to develop more specific methods for quality control.

A reproducible analytical system based on the multi-component analysis of triterpene acids in Ganoderma lucidum.

Ultra-performance liquid chromatography (UPLC) and Single Standard for Determination of Multi-Components (SSDMC) are becoming increasingly important for quality control of medicinal herbs; this approach was developed for Ganoderma lucidum. Special attention was necessary for the appropriate selection of markers, for determining the reproducibility of the relative retention times (RRT), and for the accuracy of conversion factors (F). Finally, ten components were determined, with ganoderic acid A serving as single standard.

(enH2)(4.5)[In(As(V)S4)3][As2(III)(μ-S2)S3]Cl and (enH2)MnAs(III)As(V)S6: two thioarsenates(III, V) with mixed-valent optical properties.

Two mixed-valent thioarsenates, namely (enH2)(4.5)[In(As(V)S4)3][As2(III)(μ-S2)S3]Cl (1) and (enH2)MnAs(III)As(V)S6 (2) (en = ethylenediamine), have been solvothermally synthesized and characterized. Thermal stability, magnetic and mixed-valent optical properties, as well as theoretical band structures and DOSs, of 1 and 2 have also been studied.

A single, multi-faceted, enhanced strategy to quantify the chromatographically diverse constituents in the roots of Euphorbia kansui.

Kansui radix is a famous poisonous traditional Chinese medicine. However, due to its different types of constituents with broad polarity, a variety of UV absorptions and lack of the reference standards, it was difficult to simultaneously determine the main component in kanui radix. A single, multi-faceted, enhanced strategy, exogenous reference standard - single standard to determine multi-components method (ERS-SSDMC), was proposed.

Structural, electronic, and linear optical properties of organic photovoltaic PBTTT-C14 crystal.

Poly(2,5-bis(3-tetradecylthiophen-2yl)thieno(3,2-b)thiophene) (PBTTT-C14) is an important electro-optical polymer, whose three-dimensional crystal structure is somewhat ambiguous and the fundamental electronic and linear optical properties are not well known. We carried out first-principles calculations to model the crystal structure and to study the effect of side-chains on the physical structure and electronic properties. Our calculations suggest that the patterns of side-chain has little direct effect on the valence band maximum and conduction band minimum but they do have impact on the bandgap through changing the π-π stacking distance.

A clinical study of weining granules in the treatment of gastric precancerous lesions.

Objective: To investigate the clinical effects of Weining granules on gastric precancerous lesions (GPLs).

Methods: 120 patients with GPLs were randomly assigned in a 1:1 ratio to receive Weining granules (trial group) or the comparator Weifuchun tablets (control group) for 6 months. Outcomes were compared between the two groups including: overall response; gastroscopically-determined response; pathologically-confirmed response; eradication of Helicobacter pylori (HP); microvessel density (MVD) in the gastric mucosa; expression of vascular endothelial growth factor (VEGF); interleukin 2 (IL-2); interleukin 6 (IL-6); T lymphocyte subsets; immunoglobulins; symptom scores; quality of life (QOL); and adverse reactions.

Diverse closed cavities in condensed rare earth metal-chalcogenide matrixes: Cs[Lu7Q11] and (ClCs6)[RE21Q34] (RE = Dy, Ho; Q = S, Se, Te).

Two types of novel ordered chalcogenids Cs[Lu(7)Q(11)] (Q = S, Se) and (ClCs(6))[RE(21)Q(34)] (RE = Dy, Ho; Q = S, Se, Te) were discovered by high-temperature solid state reactions. The structures were characterized by single-crystal X-ray diffraction data. Cs[Lu(7)Q(11)] crystallize in the orthorhombic Cmca (no.

[Ni(phen)3]2Sb18S29: a novel three-dimensional framework thioantimonate(III) templated by [Ni(phen)3] complexes.

A novel thioantimonate(III), namely, [Ni(phen)(3)](2)Sb(18)S(29) (1; phen = 1,10-phenanthroline), has been solvothermally synthesized. Its structure features a three-dimensional framework with the largest channels in thioantimonates. The chiral [Ni(phen)(3)](2+) cations and the Sb:S ratio (1:1.

Comparison of two officinal Chinese pharmacopoeia species of Ganoderma based on chemical research with multiple technologies and chemometrics analysis.

Aim Of The Study: To investigate the chemical differences between Ganoderma lucidum (G. lucidum, Chizhi) and Ganoderma sinense (G. sinense, Zizhi).

Structure change induced by terminal sulfur in noncentrosymmetric La2Ga2GeS8 and Eu2Ga2GeS7 and nonlinear-optical responses in middle infrared.

Two new noncentrosymmetric quaternary sulfides, La(2)Ga(2)GeS(8) (1) and Eu(2)Ga(2)GeS(7) (2), have been synthesized by high-temperature solid-state reactions. The structure change on going from 1 to 2 to the known Li(2)Ga(2)GeS(6) (3) nicely shows that the reduced cation charge-compensation requirement causes a decrease in the number of terminal S atoms per formula, which is a key to determining the connectivity of the GaS(4) and GeS(4) building units. Powder sample 2 exhibits a strong second-harmonic-generation (SHG) response of about 1.

Ruggedness and robustness of conversion factors in method of simultaneous determination of multi-components with single reference standard.

Single standard to determine multi-components (SSDMC) is a novel and rational method for quality control of botanical products and traditional Chinese medicines (TCMs). However, it is restricted to wide application due to unknown fluctuation in conversion factors when it is performed in different laboratories. To evaluate the fluctuations of conversion factors, we selected Salvia miltiorrhiza as an example to determine three components of tanshinones by SSDMC method.

In-phase alignments of asymmetric building units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and their strong nonlinear optical responses in middle IR.

New noncentrosymmetric rare-earth metal gallium thioantimonates, Ln(4)GaSbS(9) were synthesized from stoichiometric element mixtures at 950 °C by high-temperature solid-state reactions. These compounds crystallize in orthorhombic space group Aba2 (no.41) with a = 13.

Pb2B5O9I: an iodide borate with strong second harmonic generation.

The combination of lone-pair effects on Pb(2+) cations and the smaller electronegativity of I(-) anions into the pentaborate framework generates a phase-matchable material, Pb(2)B(5)O(9)I, with the largest powder SHG response among borates, about 13.5 times that of KDP (KH(2)PO(4)), and transparency over the near-UV to middle-IR region. DFT calculations on electronic structure and cutoff-energy-dependent SHG coefficients confirm these origins.