Search results for "Molecular chemistry"

Anti-inflammatory effect of grape (Vitis vinifera L.) seed extract through the downregulation of NF-κB and MAPK pathways in LPS-induced RAW264.7 macr…

2019

Abstract The aim of this study was to enhance the anti-inflammatory potential of grape (Vitis vinifera L.) seed extract (GSE) in lipopolysaccharide (LPS) activated murine macrophage RAW264.7 cells. The total phenol content of GSE was 112.66 mg GAE/g in Carignan, 142.33 mg GAE/g in Merlot and 161.66 mg GAE/g in Syrah. GSE contained 12 phenol compounds including 8 flavan-3-ols (catechin, epigallocatechin gallate, epicatechin, procyanidin b1, procyanidin b4, procyanidin b2), 3 flavonols (kaempferol, myricitrinand quercetin) and only 1 phenolic acid (gallic acid). GSE significantly suppressed the gene expression and protein secretion of tumor necrosis factor-α (TNF-α), interleukin (IL-6), induc…

2021

Centaurothamnus maximus (family Asteraceae), is a leafy shrub indigenous to the southwestern Arabian Peninsula. With a paucity of phytochemical data on this species, we set out to chemically characterize the plant. From the aerial parts, two newly identified guaianolides were isolated: 3β-hydroxy-4α(acetoxy)-4β(hydroxymethyl)-8α-(4-hydroxy methacrylate)-1αH,5αH, 6αH-gual-10(14),11(13)-dien-6,12-olide (1) and 15-descarboxy picrolide A (2). Seven previously reported compounds were also isolated: 3β, 4α, 8α-trihydroxy-4-(hydroxymethyl)-lαH, 5αH, 6βH, 7αH-guai-10(14),11(13)-dien-6,12-olide (3), chlorohyssopifolin B (4), cynaropikrin (5), hydroxyjanerin (6), chlorojanerin (7), isorhamnetin (8), …

Triterpene saponins of the root bark of Olax obtusifolia De Wild

2018

Abstract Four undescribed triterpenoid saponins together with five known and oleanolic acid were isolated from root bark of Olax obtusifolia De Wild. Their structures were elucidated by spectroscopic methods including 1D and 2D NMR experiments, in combination with mass spectrometry as 3-O-α- l -rhamnopyranosyl-(1→4)-α- l -rhamnopyranosyl-(1→3)-β- d -glucuronopyranosyloleanolic acid, 3-O-α- l -rhamnopyranosyl-(1→4)-α- l -rhamnopyranosyl-(1→3)-β- d -glucuronopyranosyloleanolic acid 28-O-β- d -glucopyranosyl ester, 3-O-α- l -rhamnopyranosyl-(1→3)-β- d -glucopyranosyl-(1→2)-[β- d -glucopyranosyl-(1→3)]-β- d -glucuronopyranosyloleanolic acid and 3-O-α- l -rhamnopyranosyl-(1→3)-β- d -glucopyranos…

Antimicrobial secondary metabolites from the medicinal plant Crinum glaucum A. Chev. (Amaryllidaceae)

2020

Abstract Medicinal plants are known as sources of potential antibacterial compounds including alkaloids. The aim of the present study was to evaluate the antibacterial activities of the extract, fractions, and some secondary metabolites isolated from the leaves of Crinum glaucum A. Chev. (Amaryllidaceae). The antibacterial activities were performed with the ethanol (EtOH) extract, as well as with ethyl acetate (EtOAc) and n-butanol (n-BuOH) fractions. Repeated column chromatography of the fractions led to the isolation of several compounds and their structures were elucidated mainly by means of extensive spectroscopic analysis [(one-dimensional (1D) and two-dimensional (2D) nuclear magnetic…

Assessment of production and qualitative characteristics of different populations of Salvia sclarea L. found in Sicily (Italy)

2021

Salvia sclarea L. is an important industrial crop, valued for its herbal-aromatic properties and high quality essential oils, that is used in food, pharmaceuticals and cosmetics. In this study, carried out from 2009 to 2010, the morphological and production characteristics and essential oil content and composition of three Sicilian populations were studied. In particular, the composition of essential oils extracted from primary and secondary inflorescences using steam distillation was assessed. Morphological, production and qualitative data from the three populations were subjected to analysis of variance and cluster analysis. Regarding the quality of the oils, only the most prevalent compo…

Generative Design for Additively Manufactured Textiles in Orthopaedic Applications

2021

AbstractThe aim of this work is to implement a new process for the design and production of orthopaedic devices to realize entirely by Additive Manufacturing (AM). In particular, a generative algorithm for parametric modelling of flexible structures to use in orthopaedic devices has been developed. The developed modelling algorithm has been applied to a case study based on the design and production of a customized elbow orthosis made by Selective Laser Sintering. The results obtained have demonstrated that the developed algorithm overcomes many drawbacks typical of traditional CAD modelling approaches. FEM simulations have been also performed to validate the design of the orthosis. The new …

Graph Rewriting Based Search for Molecular Structures: Definitions, Algorithms, Hardness

2018

We define a graph rewriting system that is easily understandable by humans, but rich enough to allow very general queries to molecule databases. It is based on the substitution of a single node in a node- and edge-labeled graph by an arbitrary graph, explicitly assigning new endpoints to the edges incident to the replaced node. For these graph rewriting systems, we are interested in the subgraph-matching problem. We show that the problem is NP-complete, even on graphs that are stars. As a positive result, we give an algorithm which is polynomial if both rules and query graph have bounded degree and bounded cut size. We demonstrate that molecular graphs of practically relevant molecules in d…

Trifluoroethanol modulates α-synuclein amyloid-like aggregate formation, stability and dissolution

2016

The conversion of proteins into amyloid fibrils and other amyloid-like aggregates is closely connected to the onset of a series of age-related pathologies. Upon changes in environmental conditions, amyloid-like aggregates may also undergo disassembly into oligomeric aggregates, the latter being recognized as key effectors in toxicity. This indicates new possible routes for in vivo accumulation of toxic species. In the light of the recognized implication of α-Synuclein (αSN) in Parkinson's disease, we present an experimental study on supramolecular assembly of αSN with a focus on stability and disassembly paths of such supramolecular aggregate species. Using spectroscopic techniques, two-pho…

Ziziphora tenuior L. essential oil from Dana Biosphere Reserve (Southern Jordan); chemical characterization and assessment of biological activities

2016

Abstract Ethnopharmacologic relevance Ziziphora tenuior L. (Lamiaceae) is a medicinal plant in Jordan, which is included in various antimicrobial, antiseptic, expectorant and wound healing preparations. It is used for the treatment of cough, stomach ache, dysentery, fever, uterus infection, gut inflammation and painful menstruation. Aim of the study The aim of this study was to assess, for the first time, the chemical composition of the essential oil of Z. tenuior originated from southern Jordan and its antifungal effects against several yeasts. Concomitantly, the mechanisms behind the anti-fungal activity against Candida albicans were also disclosed. Since the Z. tenuior traditional uses a…

Biological activities of polyphenols-enriched propolis from Argentina arid regions

2015

Background: Propolis is a bioactive natural product collected by honeybees (Apis mellifera) fromplant sources. Purpose: This studywas undertaken to determine the effect of propolis extracts from arid region of Argentina, on the activity/expression of pro-inflammatory enzymes, and as potential free radical scavenger, antifungal and anthelmintic agent as well as to get a first insight into the polyphenolic profile of the active fractions.Study design/methods: Two propolis samples were collected in different time from hives located in Tucumán, Argentina. They are representative of the collection time of the raw material for phytotherapeutical purposes. Ethanolic extracts from both propolis wer…