75,798 results match your criteria compounds revealed


Controlling the quality of maca (Lepidium meyenii) dietary supplements: Development of compendial procedures for the determination of intact glucosinolates in maca root powder products.

J Pharm Biomed Anal 2021 Apr 6;199:114063. Epub 2021 Apr 6.

Analytical Development Laboratory, United States Pharmacopeia, Rockville, MD, 20852, United States.

The demand and sales of dietary supplements derived from maca (Lepidium meyenii) have skyrocketed in the last decade and a variety of related nutritional and healthcare products have mushroomed into a business with market prominence. However, the lack of standard testing protocols for quality control could jeopardize the immediate benefits of these products for public health. We describe herein the development of analytical procedures for the determination of glucosinolates (GLs), the biologically active ingredients in maca. Read More

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Synthesis of pyranochalcone derivatives and their inhibitory effect on NF-κB activation.

Bioorg Med Chem Lett 2021 Apr 13:128042. Epub 2021 Apr 13.

Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, People's Republic of China; University of Chinese Academy of Sciences, 19 A Yuquan Rd, Beijing 100049, PR China. Electronic address:

In an effort to identify novel inhibitors of nuclear factor kappa B (NF-κB), twenty five pyranochalcone derivatives were synthesized and evaluated for their in vitro activities against TNF-α induced NF-κB inhibition in HEK293T cells. Among all of these derivatives, several displaying the same acrylate moiety on the B ring exhibited potent inhibition, with IC values ranging from 0.29-10. Read More

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Traditional uses, phytochemistry, and pharmacology of Ailanthus altissima (Mill.) Swingle bark: A comprehensive review.

J Ethnopharmacol 2021 Apr 13:114121. Epub 2021 Apr 13.

Northwest University Faculty of Life and Health Science, Northwest University, 229 Taibai Road, Xi'an, Shaanxi 710069, China. Electronic address:

Ethnopharmacological Relevance: The dried bark of Ailanthus altissima (Mill.) Swingle (BAA), commonly designated as "Chunpi" in Chinese, is extensively used as a common traditional medicine in China, Korea, and India. It has been used to treat multiple ailments, including asthma, epilepsy, spermatorrhea, bleeding, and ophthalmic diseases, for thousands of years. Read More

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The mechanisms of action of WeiChang'An Pill (WCAP) treat diarrhoea-predominant irritable bowel syndrome (IBS-D) using network pharmacology approach and in vivo studies.

J Ethnopharmacol 2021 Apr 13:114119. Epub 2021 Apr 13.

Dongzhimen Hospital, Beijing University of Chinese Medicine, Beijing, China; School of Traditional Chinese Medicine, Beijing University of Chinese Medicine, Beijing, China. Electronic address:

Ethnopharmacological Relevance: WeiChang'An Pill (WCAP) is used in Traditional Chinese Medicine (TCM) to clinically treat diarrhoea-predominant irritable bowel syndrome (IBS-D); however, the underlying pharmacological mechanisms are unclear to date.

Aim Of The Study: To explore the mechanism underlying the therapeutic action of WCAP in IBS-D using a network pharmacology approach and in vivo experiments.

Materials And Methods: The active compounds of WCAP were selected from the TCM Systems Pharmacology Database and TCM Integrated Database, and the potential targets were identified using the Swiss Target Prediction and Similarity Ensemble Approach (SEA) databases. Read More

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Anthelmintic activity of a nanoformulation based on thiophenes identified in Tagetes patula L. (Asteraceae) against the small ruminant nematode Haemonchus contortus.

Acta Trop 2021 Apr 13:105920. Epub 2021 Apr 13.

Chemistry Institute, São Paulo State University (UNESP), Araraquara (SP), Brazil.

The synthesis of thiophenic compounds, previously identified in Tagetes patula, revealed that 4-(5'-(hydroxymethyl)-[2,2'-bithiophene]-5-yl)but-3-yn-1-ol), or simply Thio1, has a pronounced in vitro anthelmintic effect against Haemonchus contortus, showing 100% efficacy in the egg hatch and larval development tests presenting EC = 0.1731 mg.mL and EC = 0. Read More

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Ethnobotany, Phytochemistry and Pharmacological Features of Centella asiatica: A Comprehensive Review.

Adv Exp Med Biol 2021 ;1308:451-499

Department of Traditional Pharmacy, School of Pharmacy, Mashhad University of Medical Sciences, Mashhad, Iran.

Centella asiatica (CA) or Gotu cola is an herbal plant from the Apiaceae family with a long history of usage in different traditional medicines. It has long been used for the treatment of various ailments such as central nervous system (CNS), skin and gastrointestinal disorders especially in the Southeast Asia. This chapter focused on the phytochemical constituent and pharmacological activities of CA based on preclinical and clinical studies. Read More

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January 2021

Trifluoromethyl derivatives of pentagon-fused C: C(CF) ( = 10, 12, 14, 16).

Dalton Trans 2021 Apr 16. Epub 2021 Apr 16.

Department of Chemistry, Moscow State University, 119991 Moscow, Leninskie gory, Russia.

The carbon cage of buckminsterfullerene Ih-C60, obeying the Isolated-Pentagon Rule (IPR), can be transformed to the non-IPR C2v-1809C60 cage by a single Stone-Wales rearrangement (SWR) in the course of high-temperature chlorination of C60 with SbCl5. The following high-temperature trifluoromethylation of the chlorination products with CF3I afforded non-IPR CF3 derivatives, 1809C60(CF3)n. X-ray diffraction studies of 1809C60(CF3)n (n = 10, 12, 14, 16) revealed that the sites of pentagon-pentagon fusions on the carbon cage are preferentially occupied by CF3 groups. Read More

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A novel ratiometric fluorescent probe from a hemicyanine derivative for detecting NAD(P)H in a cell microenvironment.

Anal Methods 2021 Apr 23;13(14):1681-1686. Epub 2021 Mar 23.

College of Chemistry, Zhengzhou University, Zhoukou 466001, P. R. China.

In this paper, a fluorescent compound derived from coumarin and hemicyanine was synthesized and characterized. Herein, we present the fluorescence properties of the probe. Fluorescence selectivity experiments revealed that it exhibited higher ratiometric fluorescence response activity toward NAD(P)H than other commonly coexisting compounds in the cell microenvironment, in accord with the fluorescence shift from red to blue. Read More

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Distinct Kondo Screening Behaviors in Heavy Fermion Filled Skutterudites with 4f^{1} and 4f^{2} Configurations.

Phys Rev Lett 2021 Apr;126(13):136402

Shanghai Research Center for Quantum Sciences, Shanghai 201315, China.

CeOs_{4}Sb_{12} (COS) and PrOs_{4}Sb_{12} (POS) are two representative compounds that provide the ideal vantage point to systematically study the physics of multi-f-electron systems. COS with Ce 4f^{1}, and POS with Pr 4f^{2} configurations show distinct properties of Kondo insulating and heavy fermion superconductivity, respectively. We unveiled the underlying microscopic origin by angle-resolved photoemission spectroscopy studies. Read More

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Photoinduced Simultaneous Thermal and Photocatalytic Activities of MnO Revealed by Femtosecond Transient Absorption Spectroscopy.

ACS Appl Mater Interfaces 2021 Apr 16. Epub 2021 Apr 16.

State Key Joint Laboratory of Environment Simulation and Pollution Control, School of Environment, Tsinghua University, Beijing 100084, China.

Solar light-induced catalysis has recently received great interest in efficiently and economically degrading volatile organic compounds, which deteriorate indoor and outdoor air quality. However, a few studies explored its essential photophysical and photochemical processes. Herein, the femtosecond transient absorption spectroscopy was used to investigate the decay of photogenerated holes in MnO with different Mn vacancies. Read More

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Identification of Small-Molecule Inhibitors of Human Inositol Hexakisphosphate Kinases by High-Throughput Screening.

ACS Pharmacol Transl Sci 2021 Apr 3;4(2):780-789. Epub 2021 Mar 3.

Lieber Institute for Brain Development, Baltimore, Maryland 21205, United States.

Inositol hexakisphosphate kinases (IP6Ks) catalyze pyrophosphorylation of inositol hexakisphosphate (IP6) into inositol 5-diphospho-1,2,3,4,6-pentakisphosphate (IP7), which is involved in numerous areas of cell physiology including glucose homeostasis, blood coagulation, and neurological development. Inhibition of IP6Ks may be effective for the treatment of Type II diabetes, obesity, metabolic complications, thrombosis, and psychiatric disorders. We performed a high-throughput screen (HTS) of 158 410 compounds for IP6K1 inhibitors using a previously developed ADP-Glo Max assay. Read More

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Investigation of Covalent Warheads in the Design of 2-Aminopyrimidine-based FGFR4 Inhibitors.

ACS Med Chem Lett 2021 Apr 22;12(4):647-652. Epub 2021 Mar 22.

School of Pharmacy, Jinan University, #601 Huangpu Avenue West, Guangzhou 510632, China.

Covalent kinase inhibitors are rapidly emerging as a class of therapeutics with clinical benefits. Herein we report a series of selective 2-aminopyrimidine-based fibroblast growth factor receptor 4 (FGFR4) inhibitors exploring different types of cysteine-targeting warheads. The structure-activity relationship study revealed that the chemically tuned warheads α-fluoro acrylamide, vinylsulfonamide, and acetaldehyde amine were suitable as covalent warheads for the design of selective FGFR4 inhibitors. Read More

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Discovery of 2,4-1-Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors.

ACS Med Chem Lett 2021 Apr 3;12(4):555-562. Epub 2021 Mar 3.

AnavoTherapeutics BV, J.H. Oortweg 19, 2333 CH Leiden, The Netherlands.

Herein we report the discovery of 2,4-1-imidazole carboxamides as novel, biochemically potent, and kinome selective inhibitors of transforming growth factor β-activated kinase 1 (TAK1). The target was subjected to a DNA-encoded chemical library (DECL) screen. After hit analysis a cluster of compounds was identified, which was based on a central pyrrole-2,4-1-dicarboxamide scaffold, showing remarkable kinome selectivity. Read More

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Improving the Dysregulation of FoxO1 Activity Is a Potential Therapy for Alleviating Diabetic Kidney Disease.

Authors:
Yan Wang Weichun He

Front Pharmacol 2021 30;12:630617. Epub 2021 Mar 30.

Center for Kidney Disease, Second Affiliated Hospital, Nanjing Medical University, Nanjing, China.

A substantial proportion of patients with diabetes will develop kidney disease. Diabetic kidney disease (DKD) is one of the most serious complications in diabetic patients and the leading cause of end-stage kidney disease worldwide. Although some mechanisms have been revealed to contribute to the understanding of the pathogenesis of DKD and some drugs currently in use have been shown to be beneficial, prevention and management of DKD remain tricky and challenging. Read More

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Revealing Insights into Natural Products Against mcr-1-Producing Bacteria.

Curr Drug Targets 2021 Apr 14. Epub 2021 Apr 14.

Institute of Chemistry and Biotechnology, Federal University of Alagoas, AC. Simões campus, Lourival Melo Mota Avenue, 57072-970. Brazil.

Bacterial resistance has become a major global concern, affecting about 500,000 individuals in 22 countries. Thus, it is clear that Gram-negative bacteria have been receiving more attention in this scenario. These bacteria perform several resistance mechanisms, such as modifying lipid A from lipopolysaccharides as a product of the mcr-1 gene expression. Read More

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Bioactivity-guided discovery of quality control markers in rhizomes of Curcuma wenyujin based on spectrum-effect relationship against human lung cancer cells.

Phytomedicine 2021 Mar 27;86:153559. Epub 2021 Mar 27.

Institute of Chinese Materia Medica, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China; College of Pharmacy, School of Medicine, Hangzhou Normal University, Hangzhou, Zhejiang 311121, China; Key Laboratory of Elemene Class Anti-Cancer Chinese Medicines; Engineering Laboratory of Development and Application of Traditional Chinese Medicines; Collaborative Innovation Center of Traditional Chinese Medicines of Zhejiang Province, Hangzhou Normal University, Hangzhou, Zhejiang 311121, China. Electronic address:

Background: Due to the diversity of the ingredients, the complexity of the mechanism of action, the uncertainty of the effective ingredients, coupled with the multiple species and multiple growing areas, the quality control (QC) of Traditional Chinese Medicines (TCMs) is challenging. Discovering and identifying effective compounds from the complex extracts of TCMs and then establishing a scientific QC method is the key to the holistic QC of TCMs.

Purpose: To develop an anti-lung-cancer-guided spectrum-effect relationship approach for the discovery of QC markers of the rhizome of Curcuma wenyujin (WEZ) and establish a bioactive compounds-based holistic QC method. Read More

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ERα-agonist and ERβ-antagonist bifunctional next-generation bisphenols with no halogens: BPAP, BPB, and BPZ.

Toxicol Lett 2021 Apr 12. Epub 2021 Apr 12.

Department of Chemistry, Faculty of Science, Kyushu University, Motooka 744, Nishi-ku, Fukuoka, 819-0395, Japan; Risk Science Research Institute, Ikimatsudai 3-7-5, Nishi-ku, Fukuoka, 819-0044, Japan. Electronic address:

As demonstrated for bisphenol AF (BPAF), the electrostatic halogen bond based on the London dispersion force of halogen atoms was found to be a major driving force of their bifunctional ERα-agonist and ERβ-antagonist activities. Because similar electronic effects are anticipated for hydrocarbon groups (alkyl or aryl groups), we hypothesized that bisphenol compounds consisting of such groups also work bifunctionally. In the present study, we examined bisphenol AP (BPAP), B (BPB), and Z (BPZ). Read More

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Pyrazoles as novel protein tyrosine phosphatase 1B (PTP1B) inhibitors: An in vitro and in silico study.

Int J Biol Macromol 2021 Apr 12. Epub 2021 Apr 12.

LAQV-REQUIMTE, Laboratory of Applied Chemistry, Department of Chemical Sciences, Faculty of Pharmacy, University of Porto, 4050-313 Porto, Portugal. Electronic address:

Type 2 diabetes mellitus (DM) is a complex chronic disorder and a major global health problem. Insulin resistance is the primary detectable abnormality and the main characteristic feature in individuals with type 2 DM. Protein tyrosine phosphatase 1B (PTP1B) is a key negative regulator of the insulin signaling pathway, which dephosphorylates insulin receptor and insulin receptor substrates, suppressing the insulin signaling cascade. Read More

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α-Glucosidase Inhibitors from .

J Nat Prod 2021 Apr 15. Epub 2021 Apr 15.

Facultad de Química, Universidad Nacional Autónoma de México, Ciudad de México 04510, México.

Fractionation of an aqueous extract from the aerial parts of yielded a new natural product, namely, 4-hydroxy-3-(()-1'-angeloyloxy-()-2',3'-epoxy-3'-methyl)butylacetophenone (), along with eight known compounds, including three flavonoids (-) and five chromenes (-). NMR data interpretation and DFT-calculated chemical shifts combined with DP4+ statistical and -DP4 probability analyses allowed for the complete characterization of compound . The presence of compound in a plant that biosynthesizes 2,2-dimethylchromenes is noteworthy, because an epoxy derivative has long been postulated as the reaction intermediate from the prenylated -hydroxyacetophenones to cyclic dimethylchromenes. Read More

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Risk assessment of workers' exposure to BTEX and hazardous area classification at gasoline stations.

PLoS One 2021 15;16(4):e0249913. Epub 2021 Apr 15.

Department of Environmental Health, Occupational Health and Safety, Faculty of Public Health, Khon Kaen University, Khon Kaen, Thailand.

Vaporization of benzene, toluene, ethylbenzene, and xylene (BTEX) compounds pollutes the air and causes health hazards at gasoline stations. This study revealed the risk of BTEX exposure according to the hazardous area classification at gasoline stations. The risk assessment of gasoline workers from a representative group of 47 stations, which followed the United States Environmental Protection Agency-IRIS method of assessing BTEX exposure, was expressed as the hazard index (HI). Read More

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Comparative dissection of the peripheral olfactory system of the Chagas disease vectors Rhodnius prolixus and Rhodnius brethesi.

PLoS Negl Trop Dis 2021 Apr 15;15(4):e0009098. Epub 2021 Apr 15.

Department of Evolutionary Neuroethology, Max Planck Institute for Chemical Ecology, Jena, Germany.

American trypanosomiasis, or Chagas disease, is transmitted by both domestic and sylvatic species of Triatominae which use sensory cues to locate their vertebrate hosts. Among them, odorants have been shown to play a key role. Previous work revealed morphological differences in the sensory apparatus of different species of Triatomines, but to date a comparative functional study of the olfactory system is lacking. Read More

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Form Birefringence in Resonant Transducers for the Selective Monitoring of VOCs under Ambient Conditions.

ACS Appl Mater Interfaces 2021 Apr 15. Epub 2021 Apr 15.

Instituto de Ciencia de Materiales de Sevilla (CSIC, University of Seville), CICCartuja, Avda. Américo Vespucio 49, E-41092 Seville, Spain.

In this work, we have developed a new kind of nanocolumnar birefringent Bragg microcavity (BBM) that, tailored by oblique angle deposition, behaves as a selective transducer of volatile organic compounds (VOCs). Unlike the atomic lattice origin of birefringence in anisotropic single crystals, in the BBM, it stems from an anisotropic self-organization at the nanoscale of the voids and structural elements of the layers. The optical adsorption isotherms recorded upon exposure of these nanostructured systems to water vapor and VOCs have revealed a rich yet unexplored phenomenology linked to their optical activity that provides both capacity for vapor identification and partial pressure determination. Read More

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An amino acid ester of menthol elicits defense responses in plants.

Plant Mol Biol 2021 Apr 15. Epub 2021 Apr 15.

Department of Biological Science and Technology, Faculty of Advanced Engineering, Tokyo University of Science, 6-3-1 Niijuku, Katsushika-ku, Tokyo, 125-8585, Japan.

Key Message: Valine menthyl ester (ment-Val) acts as a plant defense potentiator for several crop species including soybean. Terpenoids, including menthol, exhibit potent abilities as plant defense potentiators in agriculture and horticulture. In the current study, we developed new terpene derivatives that consisted of menthol and various amino acids and that were expected to act as powerful plant defense potentiators. Read More

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Identification of potential plant-based inhibitor against viral proteases of SARS-CoV-2 through molecular docking, MM-PBSA binding energy calculations and molecular dynamics simulation.

Mol Divers 2021 Apr 15. Epub 2021 Apr 15.

Department of Biotechnology, Gauhati University, Guwahati, Assam, 781014, India.

The Coronavirus disease 2019 (COVID-19), caused by the novel coronavirus, SARS-CoV-2, has recently emerged as a pandemic. Here, an attempt has been made through in-silico high throughput screening to explore the antiviral compounds from traditionally used plants for antiviral treatments in India namely, Tea, Neem and Turmeric, as potential inhibitors of two widely studied viral proteases, main protease (Mpro) and papain-like protease (PLpro) of the SARS-CoV-2. Molecular docking study using BIOVIA Discovery Studio 2018 revealed, (-)-epicatechin-3-O-gallate (ECG), a tea polyphenol has a binding affinity toward both the selected receptors, with the lowest CDocker energy - 46. Read More

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Structural Insights into the Vapochromic Behavior of Pt- and Pd-Based Compounds.

Inorg Chem 2021 Apr 15. Epub 2021 Apr 15.

Institute of Crystallography, CNR, via Amendola 122/o, Bari 70126, Italy.

Anionic complexes having vapochromic behavior are investigated: [K(HO)][M(ppy)(CN)], [K(HO)][M(bzq)(CN)], and [Li(HO)][Pt(bzq)(CN)], where ppy = 2-phenylpyridinate, bzq = 7,8-benzoquinolate, and M = Pt(II) or Pd(II). These hydrated potassium/lithium salts exhibit a change in color upon being heated to 380 K, and they transform back into the original color upon absorption of water molecules from the environment. The challenging characterization of their structure in the vapochromic transition has been carried out by combining several experimental techniques, despite the availability of partially ordered and/or impure crystalline material. Read More

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Rational Optimization of 1,2,3-Triazole-Tailored Carbazoles As Prospective Antibacterial Alternatives with Significant In Vivo Control Efficiency and Unique Mode of Action.

J Agric Food Chem 2021 Apr 15. Epub 2021 Apr 15.

State Key Laboratory Breeding Base of Green Pesticide and Agricultural Bioengineering, Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Center for R&D of Fine Chemicals of Guizhou University, Guiyang 550025, P. R. China.

Plant bacterial diseases can potentially damage agricultural products around the world, and few effective bactericides can manage these infections. Herein, to sequentially explore highly effective antibacterial alternatives, 1,2,3-triazole-tailored carbazoles were rationally fabricated. These compounds could suppress the growth of three main intractable pathogens including pv (), pv (), and pv () with lower EC values of 3. Read More

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Specification of Zwitterionic or Non-Zwitterionic Structures of Amphoteric Compounds by Using Ionic Liquids.

Acta Chim Slov 2020 Jun;67(2):415-420

Some imidazolium-based ionic liquids were used to determine zwitterionic or non-zwitterionic structures of glycine and p-amino benzoic acid, as model amphoteric compounds, in their corresponding isoelectric point. To do this, the partitioning behaviors of both compounds between the ionic liquid and aqueous phase at different pH values were investigated. The results revealed that due to having different pH-dependent chemical structures, each compound showed different partitioning behavior. Read More

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Formation of Cobalt Ferrites Investigated by Transmission and Emission Mössbauer Spectroscopy.

Acta Chim Slov 2020 Jun;67(2):522-529

This study focuses on cobalt and iron ordering within a ferrite structure CoxFe3-xO4, formed during a solid-state reaction of ?-Fe2O3 and CoCl2. A unique combination of transmission and emission Mössbauer spectroscopy was employed to inspect selectively the positions of iron and cobalt atoms in the structure. The comparison of transmission and emission spectra allowed the determination of tetrahedral and octahedral positions occupation. Read More

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Effect of Microwave-Assisted Extraction on Polyphenols Recovery from Tomato Peel Waste.

Acta Chim Slov 2019 Jun;66(2):367-377

This study describes the application of microwave-assisted extraction (MAE) as an innovative technique for isolation of polyphenols from tomato peel waste. Effects of solvents, temperatures (25, 55 and 90 °C) and times (5 and 10 min) were evaluated with regard to total phenols (TP), total flavonoids (TF) and phenolic compound contents. Tomato peel extracts contain high amounts of kaemferol-3-O-rutinoside (8. Read More

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Synthesis and in vivo Anti-inflammatory Evaluation of Piperazine Derivatives Containing 1,4-Benzodioxan Moiety.

Acta Chim Slov 2019 Jun;66(2):421-426

Six piperazine derivatives 6a-f containing 1,4-benzodioxan moiety have been synthesized and characterized by 1H NMR, ESI-MS and elemental analysis. The structure of 6d was further confirmed by single crystal X-ray diffraction. All these novel compounds were screened for their in vivo anti-inflammatory activity employing classical para-xylene-induced mice ear-swelling model. Read More

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