Crystal structure of 4-hydroxynaphtho[2,3-b]benzofuran-6,11-dione, C\u3csub\u3e16\u3c/sub\u3eH\u3csub\u3e8\u3c/sub\u3eO\u3csub\u3e4\u3c/sub\u3e

© 2020 Peng Luo et al., published by De Gruyter. 2020. C16H8O4, monoclinic, Pc (no. 7), a = 3.7133(1) Å, b = 9.7214(4) (2) Å, c = 15.5765(6) Å, β = 96.121(2)°, V = 559.08(3) Å3, Z = 2, Rgt(F) = 0.0506, wRref(F2) = 0.1274, T = 150(2) K

R09. New Atractylon Derivatives Generated in Processed Rhizomes of Atractylodes macrocephala Koidz

Corresponding author (NCNPR): Jianping Zhao, [email protected]://egrove.olemiss.edu/pharm_annual_posters/1008/thumbnail.jp

Newly Generated Atractylon Derivatives in Processed Rhizomes of Atractylodes macrocephala Koidz

Thermally processed rhizomes of Atractylodes macrocephala (RAM) have a long history of use in traditional Chinese medicine (TCM) for treating various disorders, and have been an integral part of various traditional drugs and healthcare products. In TCM, herbal medicines are, in most cases, uniquely processed. Although it is thought that processing can alter the properties of herbal medicines so as to achieve desired functions, increase potency, and/or reduce side effects, the underlying chemical changes remain unclear for most thermally processed Chinese herbal medicines. In an attempt to shed some light on the scientific rationale behind the processes involved in traditional medicine, the RAM processed by stir-frying with wheat bran was investigated for the change of chemical composition. As a result, for the first time, five new chemical entities, along with ten known compounds, were isolated. Their chemical structures were determined by spectroscopic and spectrometric analyses. The possible synthetic pathway for the generation of such thermally-induced chemical entities was also proposed. Furthermore, biological activity evaluation showed that none of the compounds possessed cytotoxic effects against the tested mammalian cancer and noncancer cell lines. In addition, all compounds were ineffective at inhibiting the growth of the pathogenic microorganisms

Synthesis of benzonaphthofuroquinones and benzoylnaphthindolizinediones by reactions of flavonoids with dichlone under basylous, oxygenous and aqueous conditions: Their cytotoxic and apoptotic activities

© 2020 The Royal Society of Chemistry. Using flavonoids and dichlone as substrates, benzonaphthofuroquinones (1, 2, 3, 5, 6, novel; 4 new) and benzoylnaphthindolizinediones (7, 8, known; 9, new) were synthesized through common base-catalyzed method and a new method of combining base-catalyzed with O2/H2O exposing. The possible reaction mechanisms may involve the process like isomerization, hydration, oxidation, decomposition and intermolecular condensation. Benzonaphthofuroquinones (2, 3, 4, 5) were found to exhibit potent cytotoxicity against carcinoma cell lines and low toxicity to normal cell lines. The compounds 4 and 5 not only expressed a significant late-stage-apoptosis against human leukemia and melanoma, but also promoted the cleavage of caspase-3 and PARP in human leukemia, which suggested that the late-stage-apoptosis and caspase-3 pathway may be responsible for the cytotoxicities of these benzonaphthofuroquinones. The replacement of the furan ring with pyrrole system in benzoylnaphthindolizinediones (7, 8, 9) resulted in the loss of anticancer activity

Crystal structure of 12-(2-hydroxybenzoyl)benzo[f]pyrido[1,2-a]indole-6,11-dione, C\u3csub\u3e23\u3c/sub\u3eH\u3csub\u3e13\u3c/sub\u3eNO\u3csub\u3e4\u3c/sub\u3e

© 2019 by the authors. Licensee MDPI, Basel, Switzerland. The main purpose of this study was to investigate the hepatotoxic potential and effects on the gut microbiome of decaffeinated green tea extract (dGTE) in lean B6C3F1 mice. Gavaging dGTE over a range of 1X-10X mouse equivalent doses (MED) for up to two weeks did not elicit significant histomorphological, physiological, biochemical or molecular alterations in mouse livers. At the same time, administration of dGTE atMEDcomparable to those consumed by humans resulted in significant modulation of gut microflora, with increases in Akkermansia sp. being most pronounced. Results of this study demonstrate that administration of relevant-to-human-consumption MED of dGTE to non-fasting mice does not lead to hepatotoxicity. Furthermore, dGTE administered to lean mice, caused changes in gut microflora comparable to those observed in obese mice. This study provides further insight into the previously reported weight management properties of dGTE; however, future studies are needed to fully evaluate and understand this effect

Characterization, quantification and quality assessment of avocado (Persea americana Mill.) Oils

© 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). Avocado oil is prized for its high nutritional value due to the substantial amounts of triglycerides (TGs) and unsaturated fatty acids (FAs) present. While avocado oil is traditionally extracted from mature fruit flesh, alternative sources such as avocado seed oil have recently increased in popularity. Unfortunately, sufficient evidence is not available to support the claimed health benefit and safe use of such oils. To address potential quality issues and identify possible adulteration, authenticated avocado oils extracted from the fruit peel, pulp and seed by supercritical fluid extraction (SFE), as well as commercial avocado pulp and seed oils sold in US market were analyzed for TGs and FAs in the present study. Characterization and quantification of TGs were conducted using UHPLC/ESI-MS. Thirteen TGs containing saturated and unsaturated fatty acids in avocado oils were unambiguously identified. Compared to traditional analytical methods, which are based only on the relative areas of chromatographic peaks neglecting the differences in the relative response of individual TG, our method improved the quantification of TGs by using the reference standards whenever possible or the reference standards with the same equivalent carbon number (ECN). To verify the precision and accuracy of the UHPLC/ESI-MS method, the hydrolysis and transesterification products of avocado oil were analyzed for fatty acid methyl esters using a GC/MS method. The concentrations of individual FA were calculated, and the results agreed with the UHPLC/ESI-MS method. Although chemical profiles of avocado oils from pulp and peel are very similar, a significant difference was observed for the seed oil. Principal component analysis (PCA) based on TG and FA compositional data allowed correct identification of individual avocado oil and detection of possible adulteration

University of Mississippi Botanical Dietary Supplements Research Center

Department/Unit poster (NCNPR). Corresponding author: Nirmal Pugh ([email protected])https://egrove.olemiss.edu/pharm_annual_posters_2022/1016/thumbnail.jp

Toxicity of kadsura coccinea (Lem.) A. C. Sm. essential oil to the bed bug, cimex lectularius L. (hemiptera: Cimicidae)

Copyright © 2019 American Society for Microbiology. All Rights Reserved. We sought to define trends in and predictors of carbapenem consumption across community, teaching, and university-affiliated hospitals in the United States and Canada. We conducted a retrospective multicenter survey of carbapenem and broad-spectrum noncarbapenem beta-lactam consumption between January 2011 and December 2013. Consumption was tabulated as defined daily doses (DDD) or as days of therapy (DOT) per 1,000 patient days (PD). Multivariate mixed-effects models were explored, and final model goodness of fit was assessed by regressions of observed versus predicted values and residual distributions. A total of 20 acute-care hospitals responded. The centers treated adult patients (n 19/20) and pediatric/neonatal patients (n 17/20). The majority of the centers were nonprofit (n 17/20) and not affiliated with medical/teaching institutions (n 11/20). The median (interquartile range [IQR]) carbapenem consumption rates were 38.8 (17.4 to 95.7) DDD/1,000 PD and 29.7 (19.2 to 40.1) DOT/1,000 PD overall. Carbapenem consumption was well described by a multivariate linear mixed-effects model (fixed effects, R2 0.792; fixed plus random effects, R2 0.974). Carbapenem consumption increased by 1.91-fold/quarter from 48.6 DDD/1,000 PD (P 0.004) and by 0.056-fold/quarter from 45.7 DOT/ 1,000 PD (P 0.93) over the study period. Noncarbapenem consumption was independently related to increasing carbapenem consumption (beta 0.31 for increasing noncarbapenem beta-lactam consumption; P 0.001). Regular antibiogram publication and promotion of conversion from intravenous (i.v.) to oral (p.o.) administration independently affected carbapenem consumption rates. In the final model, 58.5% of the observed variance in consumption was attributable to between-hospital differences. Rates of carbapenem consumption across 20 North American hospitals differed greatly, and the observed differences were correlated with hospital-specific demographics. Additional studies focusing on the drivers of hospital-specific carbapenem consumption are needed to determine whether these rates are justifiable

Utility of fatty acid profile and in vitro immune cell activation for chemical and biological standardization of Arthrospira/Limnospira

Corresponding author (NCNPR): Jin Zhang, [email protected]://egrove.olemiss.edu/pharm_annual_posters_2022/1021/thumbnail.jp

Computational Tools to Expedite the Identification of Potential PXR Modulators in Complex Natural Product Mixtures – A Case Study with Five Closely Related Licorice Species

Corresponding author (NCNPR): Pankaj Pandey, [email protected]://egrove.olemiss.edu/pharm_annual_posters_2022/1014/thumbnail.jp