Image2_Clinical efficacy evaluation and potential mechanism prediction on Pudilan Xiaoyan oral liquid in treatment of mumps in children based on meta-analysis, network pharmacology, and molecular docking.JPEG

Background: Mumps is caused by the mumps virus and is characterized by pain and parotid gland swelling. Although its incidence has declined due to vaccines, outbreaks still occur among children. In addition, it can lead to severe complications, so it has a certain perniciousness. Pudilan Xiaoyan oral liquid (PDL), a Chinese patent medicine, commonly treats children with mumps. However, its safety, efficacy, and specific mechanisms lack relevant evaluation and analysis. Therefore, we did a meta-analysis of the randomized controlled trials combined with a network pharmacology analysis to assess the efficacy and safety of PDL in relieving symptoms of mumps in children and investigate its pharmacological mechanisms.Methods: This study systematically searched the China National Knowledge Infrastructure (CNKI), WanFang Data Knowledge Service Platform, VIP Database, Sinomed, Chinese Medical Journal Full-text Database, PubMed, Embase, Cochrane Library, Web of Science, and Google Scholar for the published randomized controlled trials (date up to 3 March 2022; studies in both English and Chinese) comparing PDL and antiviral drug combination treatment to standalone antiviral drug treatment. The primary outcomes in this study were the effective rate and duration of five characteristic symptoms of children’s mumps. We assessed the pooled data by using a fix-effect or random-effect model. We illustrated an odds ratio (OR) or standardized mean difference (SMD) with a 95% confidence interval (CI) using the Stata 15 software. In network pharmacology, active components of PDL were collected from the traditional Chinese medicine system pharmacology technology platform and the CNKI studies, while mumps’ targets were collected from databases of the Genecards and Online Mendelian Inheritance in Man (OMIM), and then we constructed a “drug-component-target” network and a protein–protein interaction network using Cytoscape 3.9.0 for screening the core components and targets. Next, we ran Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) analysis of intersection targets of PDL and mumps. Finally, molecular docking was performed between core components and targets.Results: Of 70 identified studies, 12 were eligible and included in our analysis (N = 1,307 participants). Compared with the antiviral drug treatments, combination treatment using PDL and antiviral drugs provided higher effective rates (OR = 5.94), shorter symptom durations for fever (SMD = −1.05), headache (SMD = −0.69), parotid gland swelling (SMD = −1.30), parotid gland pain (SMD = −2.53), and loss of appetite (SMD = −0.56) with fewer reported side effects. Of the 113 active components of PDL and 57 mumps’ targets, 11 core components like quercetin, isoetin, and seven core targets such as albumin (ALB) and interleukin-6 were obtained. Moreover, the potential pathways identified included cytokine–cytokine receptor interaction and T helper cell 17 (Th17 cell) differentiation. Molecular docking results revealed that most core components and targets could form stable structures. The core components, including isoetin, quercetin, and luteolin, and core targets involving heat shock protein HSP 90-alpha (HSP90AA1), estrogen receptor (ESR1), and ALB showed the best affinities.Conclusion: The combined use of PDL and antiviral drugs could effectively improve the efficacy of mumps among children and rapidly alleviate mumps-related symptoms. This efficacy may be associated with the anti-inflammatory and antiviral mechanisms by which PDL acts using multiple components, multiple targets, and multiple pathways. However, these results should be confirmed by further studies.</p

Image1_Clinical efficacy evaluation and potential mechanism prediction on Pudilan Xiaoyan oral liquid in treatment of mumps in children based on meta-analysis, network pharmacology, and molecular docking.JPEG

Background: Mumps is caused by the mumps virus and is characterized by pain and parotid gland swelling. Although its incidence has declined due to vaccines, outbreaks still occur among children. In addition, it can lead to severe complications, so it has a certain perniciousness. Pudilan Xiaoyan oral liquid (PDL), a Chinese patent medicine, commonly treats children with mumps. However, its safety, efficacy, and specific mechanisms lack relevant evaluation and analysis. Therefore, we did a meta-analysis of the randomized controlled trials combined with a network pharmacology analysis to assess the efficacy and safety of PDL in relieving symptoms of mumps in children and investigate its pharmacological mechanisms.Methods: This study systematically searched the China National Knowledge Infrastructure (CNKI), WanFang Data Knowledge Service Platform, VIP Database, Sinomed, Chinese Medical Journal Full-text Database, PubMed, Embase, Cochrane Library, Web of Science, and Google Scholar for the published randomized controlled trials (date up to 3 March 2022; studies in both English and Chinese) comparing PDL and antiviral drug combination treatment to standalone antiviral drug treatment. The primary outcomes in this study were the effective rate and duration of five characteristic symptoms of children’s mumps. We assessed the pooled data by using a fix-effect or random-effect model. We illustrated an odds ratio (OR) or standardized mean difference (SMD) with a 95% confidence interval (CI) using the Stata 15 software. In network pharmacology, active components of PDL were collected from the traditional Chinese medicine system pharmacology technology platform and the CNKI studies, while mumps’ targets were collected from databases of the Genecards and Online Mendelian Inheritance in Man (OMIM), and then we constructed a “drug-component-target” network and a protein–protein interaction network using Cytoscape 3.9.0 for screening the core components and targets. Next, we ran Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) analysis of intersection targets of PDL and mumps. Finally, molecular docking was performed between core components and targets.Results: Of 70 identified studies, 12 were eligible and included in our analysis (N = 1,307 participants). Compared with the antiviral drug treatments, combination treatment using PDL and antiviral drugs provided higher effective rates (OR = 5.94), shorter symptom durations for fever (SMD = −1.05), headache (SMD = −0.69), parotid gland swelling (SMD = −1.30), parotid gland pain (SMD = −2.53), and loss of appetite (SMD = −0.56) with fewer reported side effects. Of the 113 active components of PDL and 57 mumps’ targets, 11 core components like quercetin, isoetin, and seven core targets such as albumin (ALB) and interleukin-6 were obtained. Moreover, the potential pathways identified included cytokine–cytokine receptor interaction and T helper cell 17 (Th17 cell) differentiation. Molecular docking results revealed that most core components and targets could form stable structures. The core components, including isoetin, quercetin, and luteolin, and core targets involving heat shock protein HSP 90-alpha (HSP90AA1), estrogen receptor (ESR1), and ALB showed the best affinities.Conclusion: The combined use of PDL and antiviral drugs could effectively improve the efficacy of mumps among children and rapidly alleviate mumps-related symptoms. This efficacy may be associated with the anti-inflammatory and antiviral mechanisms by which PDL acts using multiple components, multiple targets, and multiple pathways. However, these results should be confirmed by further studies.</p

DataSheet1_Clinical efficacy evaluation and potential mechanism prediction on Pudilan Xiaoyan oral liquid in treatment of mumps in children based on meta-analysis, network pharmacology, and molecular docking.PDF

Background: Mumps is caused by the mumps virus and is characterized by pain and parotid gland swelling. Although its incidence has declined due to vaccines, outbreaks still occur among children. In addition, it can lead to severe complications, so it has a certain perniciousness. Pudilan Xiaoyan oral liquid (PDL), a Chinese patent medicine, commonly treats children with mumps. However, its safety, efficacy, and specific mechanisms lack relevant evaluation and analysis. Therefore, we did a meta-analysis of the randomized controlled trials combined with a network pharmacology analysis to assess the efficacy and safety of PDL in relieving symptoms of mumps in children and investigate its pharmacological mechanisms.Methods: This study systematically searched the China National Knowledge Infrastructure (CNKI), WanFang Data Knowledge Service Platform, VIP Database, Sinomed, Chinese Medical Journal Full-text Database, PubMed, Embase, Cochrane Library, Web of Science, and Google Scholar for the published randomized controlled trials (date up to 3 March 2022; studies in both English and Chinese) comparing PDL and antiviral drug combination treatment to standalone antiviral drug treatment. The primary outcomes in this study were the effective rate and duration of five characteristic symptoms of children’s mumps. We assessed the pooled data by using a fix-effect or random-effect model. We illustrated an odds ratio (OR) or standardized mean difference (SMD) with a 95% confidence interval (CI) using the Stata 15 software. In network pharmacology, active components of PDL were collected from the traditional Chinese medicine system pharmacology technology platform and the CNKI studies, while mumps’ targets were collected from databases of the Genecards and Online Mendelian Inheritance in Man (OMIM), and then we constructed a “drug-component-target” network and a protein–protein interaction network using Cytoscape 3.9.0 for screening the core components and targets. Next, we ran Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) analysis of intersection targets of PDL and mumps. Finally, molecular docking was performed between core components and targets.Results: Of 70 identified studies, 12 were eligible and included in our analysis (N = 1,307 participants). Compared with the antiviral drug treatments, combination treatment using PDL and antiviral drugs provided higher effective rates (OR = 5.94), shorter symptom durations for fever (SMD = −1.05), headache (SMD = −0.69), parotid gland swelling (SMD = −1.30), parotid gland pain (SMD = −2.53), and loss of appetite (SMD = −0.56) with fewer reported side effects. Of the 113 active components of PDL and 57 mumps’ targets, 11 core components like quercetin, isoetin, and seven core targets such as albumin (ALB) and interleukin-6 were obtained. Moreover, the potential pathways identified included cytokine–cytokine receptor interaction and T helper cell 17 (Th17 cell) differentiation. Molecular docking results revealed that most core components and targets could form stable structures. The core components, including isoetin, quercetin, and luteolin, and core targets involving heat shock protein HSP 90-alpha (HSP90AA1), estrogen receptor (ESR1), and ALB showed the best affinities.Conclusion: The combined use of PDL and antiviral drugs could effectively improve the efficacy of mumps among children and rapidly alleviate mumps-related symptoms. This efficacy may be associated with the anti-inflammatory and antiviral mechanisms by which PDL acts using multiple components, multiple targets, and multiple pathways. However, these results should be confirmed by further studies.</p

Asymmetric Radical Cyclopropanation of Alkenes with In Situ-Generated Donor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis

Donor-substituted diazo reagents, generated in situ from sulfonyl hydrazones in the presence of base, can serve as suitable radical precursors for Co­(II)-based metalloradical catalysis (MRC). The cobalt­(II) complex of <i>D</i>₂-symmetric chiral porphyrin [Co­(3,5-Di^<i>t</i>Bu-Xu­(2′-Naph)­Phyrin)] is an efficient metalloradical catalyst that is capable of activating different <i>N</i>-arylsulfonyl hydrazones for asymmetric radical cyclopropanation of a broad range of alkenes, affording the corresponding cyclopropanes in high yields with effective control of both diastereo- and enantioselectivity. This Co­(II)-based metalloradical system represents the first catalytic protocol that can effectively utilize donor-type diazo reagents for asymmetric olefin cyclopropanation

Surface Forces and Interaction Mechanisms of Emulsion Drops and Gas Bubbles in Complex Fluids

The interactions of emulsion drops and gas bubbles in complex fluids play important roles in a wide range of biological and technological applications, such as programmable drug and gene delivery, emulsion and foam formation, and froth flotation of mineral particles. In this feature article, we have reviewed our recent progress on the quantification of surface forces and interaction mechanisms of gas bubbles and emulsion drops in different material systems by using several complementary techniques, including the drop/bubble probe atomic force microscope (AFM), surface forces apparatus (SFA), and four-roll mill fluidic device. These material systems include the bubble–self-assembled monolayer (SAM), bubble–polymer, bubble–superhydrophobic surface, bubble–mineral, water-in-oil and oil-in-water emulsions with interface-active components in oil production, and oil/water wetting on polyelectrolyte surfaces. The bubble probe AFM combined with reflection interference contrast microscopy (RICM) was applied for the first time to simultaneously quantify the interaction forces and spatiotemporal evolution of a confined thin liquid film between gas bubbles and solid surfaces with varying hydrophobicity. The nanomechanical results have provided useful insights into the fundamental interaction mechanisms (e.g., hydrophobic interaction in aqueous media) at gas/water/solid interfaces, the stabilization/destabilization mechanisms of emulsion drops, and oil/water wetting mechanisms on solid surfaces. A long-range hydrophilic attraction was found between water and polyelectrolyte surfaces in oil, with the strongest attraction for polyzwitterions, contributing to their superior water wettability in oil and self-cleaning capability of oil contamination. Some remaining challenges and future research directions are discussed and provided

Asymmetric Radical Cyclopropanation of Alkenes with In Situ-Generated Donor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis

Donor-substituted diazo reagents, generated in situ from sulfonyl hydrazones in the presence of base, can serve as suitable radical precursors for Co­(II)-based metalloradical catalysis (MRC). The cobalt­(II) complex of <i>D</i>₂-symmetric chiral porphyrin [Co­(3,5-Di^<i>t</i>Bu-Xu­(2′-Naph)­Phyrin)] is an efficient metalloradical catalyst that is capable of activating different <i>N</i>-arylsulfonyl hydrazones for asymmetric radical cyclopropanation of a broad range of alkenes, affording the corresponding cyclopropanes in high yields with effective control of both diastereo- and enantioselectivity. This Co­(II)-based metalloradical system represents the first catalytic protocol that can effectively utilize donor-type diazo reagents for asymmetric olefin cyclopropanation

Additional file 3: of Transcriptomic analysis reveals vacuolar Na+ (K+)/H+ antiporter gene contributing to growth, development, and defense in switchgrass (Panicum virgatum L.)

Table S1. Significantly upregulated genes involved in cell division in transgenic compared to WT plants. (DOCX 15 kb

From Topological Nodal-Line Semimetal to Insulator in ABW-Ge₄: A New Member of the Germanium Allotrope

Topological semimetals have attracted much attention because of their excellent properties, such as ultra-high speed, low energy consumption quantum transport, and negative reluctance. Searching materials with topological semimetallic properties has become a new research field for Group-IV materials. Herein, using first-principles calculations and tight-binding modeling, we proposed a topological nodal-line semimetal ABW-Ge4 when spin–orbit coupling (SOC) is ignored, which is composed of pure germanium atoms in a zeolite framework ABW. It holds excellent dynamic and thermal stability. In its electronic band structure, there exists a stable Dirac linear band crossing near the Fermi energy level, which forms a closed ring in the kx = 0 plane of the Brillouin zone (BZ). Our symmetry analysis reveals that the nodal ring is protected by Mx mirror symmetry. Furthermore, by examining the slope index in all possible k paths through the considered Dirac point, we find that the band dispersion near the Dirac point is greatly anisotropic. In some direction, the Fermi velocity is even larger than that of graphene, being promising for the future ultra-high speed device. When spin–orbit coupling is included, the nodal line is gapped and the system becomes a topological insulator with topological invariants Z2 = 1. Our findings not only identify a new Ge allotrope but also establish a promising topological material in Group-IV materials, which may have the desirable compatibility with the traditional semiconductor industry

Additional file 2: of Transcriptomic analysis reveals vacuolar Na+ (K+)/H+ antiporter gene contributing to growth, development, and defense in switchgrass (Panicum virgatum L.)

Figure S1. Total mapped and unmapped RNA-seq clean reads for transgenic lines and WT plants. (PDF 119 kb

A Luminescent Zinc(II) Metal–Organic Framework (MOF) with Conjugated π‑Electron Ligand for High Iodine Capture and Nitro-Explosive Detection

A porous luminescent zinc­(II) metal–organic framework (MOF) with a NbO net [Zn₂(tptc)­(apy)_2–<i>x</i>(H₂O)_<i>x</i>]·H₂O (<b>1</b>) (where <i>x</i> ≈ 1, apy = aminopyridine, H₄tptc = terphenyl-3,3″,5,5″-tetracarboxylic acid), constructed using paddlewheel [Zn₂(COO)₄] clusters and π-electron-rich terphenyl-tetracarboxylic acid, has been solvothermally synthesized and characterized. Interestingly, the material displays efficient, reversible adsorption of radioactive I₂ in vapor and in solution (up to 216 wt %). The strong affinity for I₂ is mainly due to it having large porosity, a conjugated π-electron aromatic system, halogen bonds, and electron-donating aminos. Furthermore, luminescent study indicated that <b>1</b> exhibits high sensitivity to electron-deficient nitrobenzene explosives via fluorescence quenching