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The most commonly used antiviral treatment against hepatitis C virus is a combination of direct-acting antivirals (DAAs) and ribavirin (RBV), which leads to a shortened duration of therapy and a sustained virologic response until 98%. Nonetheless, several dose-related side effects of RBV could limit its applications. This study aims to measure the urinary concentration of RBV and its main metabolites in order to evaluate the drug metabolism ability of HCV patients and to evaluate the adverse effects, such as anemia, with respect to RBV metabolite levels. RBV and its proactive and inactive metabolites were identified and quantified in the urine of 17 HCV males with severe liver fibrosis using proton nuclear magnetic resonance (1H-NMR) at the fourth week (TW4) and at the twelfth week of treatment (EOT). Four prodrug urinary metabolites, including RBV, were identified and three of them were quantified. At both the TW4 and EOT stages, six HCV patients were found to maintain high concentrations of RBV, while another six patients maintained a high level of RBV proactive metabolites, likely due to nucleosidase activity. Furthermore, a negative correlation between the reduction in hemoglobin (Hb) and proactive forms was observed, according to RBV-triphosphate accumulation causing the hemolysis. These findings represent a proof of concept regarding tailoring the drug dose in relation to the specific metabolic ability of the individual, as expected by the precision medicine approach. [ABSTRACT FROM AUTHOR]

In this work, the first phytochemical analysis on the seeds of Nigella sativa L. collected from a new population in Iran is reported. The study was carried out by means of classical column chromatography and spectroscopic techniques and evidenced the presence of twenty-six compound divided into six different classes of natural compounds. In particular, compounds (3–4) have been reported in the family for the first time. In addition to this, the first NMR semi-quantitative analysis on their most polar metabolites content was reported. The chemotaxonomic and pharmacological aspects of all the identified compounds were discussed. [ABSTRACT FROM AUTHOR]

In this paper, the preliminary results of a study aimed to discriminate between the different species of lichens, from which orchil dyes originate, are presented. A multi-analytical approach has been used to analyze several species of lichens, in particular Roccella tinctoria DC, Lasallia pustulata L. and Ochrolechia tartarea L., in an attempt to identify distinguishing markers within different orchil mixtures. In the first part of the research, samples of yarns dyed with the different species, prepared in laboratory after the proper raw lichens treatment, have been subjected to SERS on fiber analyses. Hence an innovative ammonia protocol has been applied to all the specimens. Firstly, in order to evaluate the difference among the different species, HPTLC has been applied to the extracts of dyed yarns and the dye baths. All the spots present on the TLC plates have been analyzed through SERS (HPTLC-SERS), in order to obtain a SERS database of each single compound, fixed on the yarns. Then, HPTLC-MS and HPLC-MS experiments have been carried out, in order to deep into the identification of compounds corresponding to each spot. [ABSTRACT FROM AUTHOR]

Trifluoromethyl aldimines derived from α-amino esters have proven to be very good starting materials to obtain the title compounds. A Ag 2 O-catalyzed Mannich-type/cyclization cascade reaction starting from suitable α-isocyano acetates leads to enantiopure valuable trans -carboxylic trifluoromethyl substituted 2-imidazolines by a highly stereoselective addition without the need to add organocatalysts. [ABSTRACT FROM AUTHOR]

Vinca sardoa (Stearn) Pignatti, known as Sardinian periwinkle, is widely diffused in Sardinia (Italy). This species contains indole alkaloids, which are known to have a great variety of biological activities. This study investigated the antileukemic activity against a B lymphoblast cell line (SUP-B15) of V. sardoa alkaloid-rich extracts obtained from plants grown in Italy, in Iglesias (Sardinia) and Rome (Latium). All the extracts showed a good capacity to induce reductions in cell proliferation of up to 50% at the tested concentrations (1–15 µg/mL). Moreover, none of the extracts showed cytotoxicity on normal cells at all the studied concentrations. [ABSTRACT FROM AUTHOR]

The phytochemical analysis on the leaves of a new population of Araucaria columnaris (G.Forst.) Hook. was reported. Seven compounds were identified i.e., 15-agathic acid methyl ester (1), ladanein (2), 7,4′,7″,4‴-tetra- O -methyl-robustaflavone (3), 3- O - trans - p -coumaroyl-quinic acid (4), 4- O - trans - p -coumaroyl-quinic acid (5), 5- O - trans - p -coumaroyl-quinic acid (6) and shikimic acid (7). Chromatographic and spectroscopic techniques were utilized for this. Their presence is important from the chemophenetic point of view, but further research is necessary to make final conclusions on this species. • The phytochemical analysis on the leaves of Araucaria columnaris was reported. • This study regards a new European population. • Seven compounds were successfully identified. • Four compounds are new for the family, two for the genus and one for the species. • The chemotaxonomic importance of these compounds was adequately discussed. [ABSTRACT FROM AUTHOR]

Aqueous extracts of roasted pistachio (Pistacia vera) from different geographic origin were analyzed by 1H nuclear magnetic resonance (NMR) spectroscopy. Forty-eight water-soluble metabolites, classified in organic acids, amino acids, carbohydrates and miscellaneous metabolites, were identified by means of 1D and 2D NMR experiments, and twenty-eight of them were quantified. The different metabolite contents highlighted that pistachios from different regions have peculiar metabolic features that could be employed for quality control and to improve the requisites for protected or certified designation of origin regulations. For these purposes, multivariate statistic analysis (PCA and PLS-DA) was applied to the obtained metabolite profiles in order to assess the geographic origin of nuts from Aleppo (Syria), Sanliurfa (Turkey), Rafsanjan (Iran) and Bronte (Italy), and spontaneous clustering was observed. [ABSTRACT FROM AUTHOR]

AbstractIn this paper, the first complete phytochemical analysis of an Italian specimen of Araucaria cunninghamii Mudie led to the identification of six secondary metabolites, one of which was identified in the species for the first time. The chemophenetic and ethnobotanical evaluations of this specimen are widely discussed. [ABSTRACT FROM AUTHOR]

Simple Summary: Olive oil is the most common vegetable oil used for human nutrition, and its production represents a major economic sector in Mediterranean countries. The milling industry generates large amounts of liquid and solid residues, whose disposal is complicated and costly due to their polluting properties. However, olive mill waste (OMW) may also be seen as a source of valuable biomolecules including plant nutrients, anthocyanins, flavonoids, polysaccharides, and phenolic compounds. This review describes recent advances and multidisciplinary approaches in the identification and isolation of valuable natural OMW-derived bioactive molecules. Such natural compounds may be potentially used in numerous sustainable applications in agriculture such as fertilizers, biostimulants, and biopesticides in alternative to synthetic substances that have a negative impact on the environment and are harmful to human health. Olive oil production generates high amounts of liquid and solid wastes. For a long time, such complex matrices were considered only as an environmental issue, due to their polluting properties. On the other hand, olive mill wastes (OMWs) exert a positive effect on plant growth when applied to soil due to the high content of organic matter and mineral nutrients. Moreover, OMWs also exhibit antimicrobial activity and protective properties against plant pathogens possibly due to the presence of bioactive molecules including phenols and polysaccharides. This review covers the recent advances made in the identification, isolation, and characterization of OMW-derived bioactive molecules able to influence important plant processes such as plant growth and defend against pathogens. Such studies are relevant from different points of view. First, basic research in plant biology may benefit from the isolation and characterization of new biomolecules to be potentially applied in crop growth and protection against diseases. Moreover, the valorization of waste materials is necessary for the development of a circular economy, which is foreseen to drive the future development of a more sustainable agriculture. [ABSTRACT FROM AUTHOR]

In situ energy dispersive x-ray diffraction was used to investigate the effect of hydration on the structure of caveolae membranes. The structure of caveolae membrane was found to be strongly dependent on hydration. At low hydration two lamellar phases with distinct repeat spacings were found to coexist with segregated cholesterol crystallites. Upon hydration, the lamellar phases did swell, while diffraction peak of cholesterol crystals disappeared suggesting that cholesterol molecules redistributed homogeneously within the caveolae membrane. At full hydration, unbinding of caveolae membrane occurred. Upon dehydration the system returned to the bound state, demonstrating that the unbinding transition is fully reversible. [ABSTRACT FROM AUTHOR]

The winemaking process produces a huge number of pomaces that generally are used for energy purposes. Further valuable applications such as health-promoting properties are still under investigation. The seeds of the white berries of Mantonico and Pecorello cv. were extracted in a Soxhlet apparatus, using n-hexane and chloroform as solvents. Extracts were characterized by NMR and GC-MS analyses. They were assayed in vitro as wound healing and anti-inflammatory agents in HaCaT and RAW 264.7 cell lines, respectively. n-hexane Mantonico extract resulted in the most interesting wound healing sample, while n-hexane Pecorello, containing a good number of carotenoids, resulted in a good anti-inflammatory candidate. These preliminary findings underlined the benefit of grape seed extracts valorization due to their health-promoting properties. [ABSTRACT FROM AUTHOR]

Grapevine varieties showing putative resistance to pathogens are a promising alternative to reduce the impact of disease management. Despite research efforts in understanding pathogen susceptibility/resistance to pathogens, the mechanisms that regulate these processes remain unclear. To identify the molecular and metabolic mechanisms associated with putative different susceptibility to pathogens and/or constitutive resistance, comparative transcriptomics and metabolomics were carried out in cultured cells of V. vinifera 'Malvasia' and V. rupestris 'Du Lot'. Transcriptomic analysis revealed a higher enrichment of genes involved in biosynthesis of cell wall proteins, PR protein, ROS activation, phenylpropanoid pathway, TIR-NBS-LRR proteins and WRKY transcription factors in V. rupestris compared to V. vinifera. 1H-NMR based metabolomic analysis highlighted that leucine, isoleucine, valine, threonine, alanine, γ-aminobutyric acid (GABA), glutamine, phenylalanine and pyruvate significantly increased in V. rupestris compared to V. vinifera. Conversely, glucose, sucrose, and fumarate significantly decreased in V. rupestris compared to V. vinifera. Our findings reveal distinct pre-constitutive defense systems in two species consisting in an up-regulation of genes and primary metabolites involved in plant defense responses. These responses could be constitutively activated in V. rupestris opening new insights for sustainable viticulture through improved breeding programs. [ABSTRACT FROM AUTHOR]

[Display omitted] Colloidal gold nanoparticles (AuNPs) functionalised with hydrophilic thiols can be used as drug delivery probes, thanks to their small size and hydrophilic character. AuNPs possess unique properties for their use in nanomedicine, especially in cancer treatment, as diagnostics and therapeutic tools. Thiol functionalised AuNPs were synthesised and loaded with methotrexate (MTX). Spectroscopic and morphostructural characterisations evidenced the stability of the colloids upon interaction with MTX. Solid state (GISAXS, GIWAXS, FESEM, TEM, FTIR-ATR, XPS) and dispersed phase (UV–Vis, DLS, ζ-potential, NMR, SAXS) experiments allowed to understand structure-properties correlations. The nanoconjugate was tested in vitro (MTT assays) against two neuroblastoma cell lines: SNJKP and IMR5 with overexpressed n -Myc. Molar drug encapsulation efficiency was optimised to be >70%. A non-covalent interaction between the π system and the carboxylate moiety belonging to MTX and the charged aminic group of one of the thiols was found. The MTX loading slightly decreased the structural order of the system and increased the distance between the AuNPs. Free AuNPs showed no cytotoxicity whereas the AuNPs-MTX nanoconjugate had a more potent effect when compared to free MTX. The active role of AuNPs was evidenced by permeation studies: an improvement on penetration of the drug inside cells was evidenced. [ABSTRACT FROM AUTHOR]

Preparation and characterization of a pH and thermosensitive linear l,d -octapeptide-poly(dimethylamino ethyl methacrylate) ((l -Val- d -Val) 4 -PDMAEMA) conjugate is reported. The hydrophobic uncharged linear (l -Val- d -Val) 4 octapeptide was designed to self-assemble in nanotubes by exploiting the tubular self-assembling properties of linear peptides with regularly alternating enantiomeric sequences. pH and thermosensitive PDMAEMA was obtained by atom transfer radical polymerization (ATRP). The conjugate was prepared by click-chemistry on the solid phase synthetized peptide. Because of the strong interactions between the peptide moieties, long single channel nanotubes (0.2–1.5 μm) are formed also at acidic pH with the fully charged polymer. At 25 °C and basic pH the size of the nanotubes did not change significantly. In basic conditions and temperature above the PDMAEMA lower critical solution temperature (LCST) a significant increase of the length of the nanotubes up to several micrometers is observed. The size is retained for several days after cooling back to room temperature. Sonication significantly reduces the nanotube length (0.2–0.5 μm) forming low polydisperse nanotubes. The elongation of the nanotubes is fully reversible by restoring acidic pH. This is the first example, to our knowledge, of thermosensitive peptide-polymer single channel nanotubes with length that can be varied from hundreds of nanometers to several micrometers. [ABSTRACT FROM AUTHOR]

Graphical abstract Highlights • A sample of Euphorbia peplus L. collected in Central Italy was studied for its phytochemical profile. • The analysis was carried out by means of Column Chromatography, NMR Spectroscopy and Mass Spectrometry. • Fourteen compounds were identified belonging to 5 different classes of natural compounds. • An NMR semi-quantitative analysis was performed on the diterpene fraction. • The chemotaxonomic and ethnopharmacological relevance of the results were extensively discussed. Abstract In this work, the phytochemical profile of the ethanolic extract of Euphorbia peplus L. collected in Central Italy, was reported. This specimen had never been studied before and the analysis was accomplished by means of Column Chromatography for the separation procedure and by means of NMR Spectroscopy and Mass Spectrometry for the identification step. In particular, fourteen compounds were evidenced belonging to five different classes of natural compounds i.e. triterpenoids (pentacyclic and saponin), peculiar diterpenoids (jatrophanes and pepluanes), flavonoids (flavonols), caffeoyl-quinic acids and rare disaccharides. In addition to this, a semi-quantitative analysis on the diterpenoid fraction, by means of NMR Spectroscopy, was also performed in order to provide the real quantities of these compounds in the same fraction and in the total extract. Due to the pronounced chemo variability observed in Euphorbia spp., the availability of a reliable and quick analytical technique, such as that reported in the present study, could be a useful tool in the standardization of plant materials to be used in pharmacological studies or for ethnomedicinal purposes. The technical details for both the general phytochemical analysis and the specific quantitative one, were inserted in this paper. Moreover, the chemotaxonomic and ethnopharmacological relevance of these compounds was also discussed. [ABSTRACT FROM AUTHOR]

Tansy daisy ( Tanacetum macrophyllum (Waldst. et Kit.) Schultz Bip., Asteraceae) is a perennial herb worldwide cultivated for ornamental and industrial purposes. Sometimes, this species is misidentified by herb collectors and botanists with its family mate Achillea grandifolia (white yarrow). In the present work, we have analysed the essential oil and ethanolic extract obtained from the aerial parts of tansy daisy cultivated in Italy and evaluated the biological activity in terms of cytotoxic, antioxidant and anticholinesterase activities. The essential oil was analysed by gas chromatographic and mass spectrometry (GC–MS) and showed oxygenated monoterpenes, namely camphor, linalool and 1,8-cineole, and sesquiterpenes, namely germacrene D and 10- epi -γ-eudesmol, as the major components. The ethanolic extract of aerial parts was subjected to chromatographic separation and this permitted the identification of 12 polar compounds belonging to five different classes of natural products, namely flavonoids (apigenin, cirsimaritin, apigenin-7- O -glucoside, apigenin-7- O -glucuronide, kaempferol-7- O -glucoside and kaempferol-7- O -glucuronide), dicaffeoylquinic derivatives (3,5-dicaffeoylquinic and 4,5-dicaffeoylquinic acids), caffeoylquinic acids (chlorogenic acid), free organic acids (shikimic and quinic acids) and glycosidic organic acids (4- O -β- d -glucopyranosyl-vanillic acid); among them apigenin and kaempferol derivatives were the most abundant. Finally, the essential oil from the leaves, containing high levels of germacrene D and 10- epi -γ-eudesmol, was highly effective against the proliferation of A375 (melanoma) and HCT116 (colon carcinoma) human tumor cells, showing IC 50 values of 9.2 and 8.5 μg/mL, respectively. On the other hand, the ethanolic extract scavenged the DPPH and ABTS + radicals, showing IC 50 of 32.7 and 37.2 μg/mL, respectively. The inhibitory properties of tansy daisy essential oils and ethanol extract on the acetylcholinesterase enzyme were also evaluated. These findings provided new insights into the phytochemistry of the species and its possible applications on an industrial level. [ABSTRACT FROM AUTHOR]

In this review paper, the occurrence in the plant kingdom, the chemophenetic value and the biological activities associated with two specific phenyl-ethanoid glycosides, i.e., leucosceptoside A and leucosceptoside B, were reported. This is the first work ever conducted on such a subject. Analysis of the literature data clearly led to three important conclusions: leucosceptoside A is much more common in plants than leucosceptoside B; leucosceptoside A exerts more biological activities than leucosceptoside B even if nothing can be generally concluded about which one is actually the most potent; neither of these compounds can be used as a chemophenetic marker. These three aspects and more are discussed in more depth in this work. [ABSTRACT FROM AUTHOR]

Alterations of gut microbiota have been identified before clinical manifestation of type 1 diabetes (T1D). To identify the associations amongst gut microbiome profile, metabolism and disease markers, the 16S rRNA-based microbiota profiling and 1H-NMR metabolomic analysis were performed on stool samples of 52 T1D patients at onset, 17 T1D siblings and 57 healthy subjects (CTRL). Univariate, multivariate analyses and classification models were applied to clinical and -omic integrated datasets. In T1D patients and their siblings, Clostridiales and Dorea were increased and Dialister and Akkermansia were decreased compared to CTRL, while in T1D, Lachnospiraceae were higher and Collinsella was lower, compared to siblings and CTRL. Higher levels of isobutyrate, malonate, Clostridium, Enterobacteriaceae, Clostridiales, Bacteroidales, were associated to T1D compared to CTRL. Patients with higher anti-GAD levels showed low abundances of Roseburia, Faecalibacterium and Alistipes and those with normal blood pH and low serum HbA1c levels showed high levels of purine and pyrimidine intermediates. We detected specific gut microbiota profiles linked to both T1D at the onset and to diabetes familiarity. The presence of specific microbial and metabolic profiles in gut linked to anti-GAD levels and to blood acidosis can be considered as predictive biomarker associated progression and severity of T1D. [ABSTRACT FROM AUTHOR]

A method for the synthesis of fluorinated β'-amino β-dicarbonyl compounds using a Zr-catalyzed Mannich-type reaction has been developed, starting from N-protected trifluoromethyl aldimines and cyclic or acyclic β-keto esters bearing different ester residues. The in situ generated metallic complex reacted with optically pure trifluoromethyl aldimine derived from (R)-α-methylbenzylamine, giving a highly diastereoselective asymmetric Mannich-type addition with formation of a chiral quaternary center. The absolute configuration at the new chiral centers was assigned through two-dimensional nuclear Overhauser effect spectroscopic analysis coupled with computational studies. [ABSTRACT FROM AUTHOR]

In this work, the first specific phytochemical analysis on Odontites vulgaris Moench collected in Central Italy was performed. The aerial parts ethanolic extract was studied and eight compounds were identified: pheophytin a (1), aucubin (2), catalpol (3), shanzhiside methyl ester (4), melampyroside (5), 8- epi -loganin (6), caryoptoside (7) and quinic acid (8). To the best of our knowledge, in this study, compounds (7–8) resulted to be isolated from the genus for the first time. The chemophenetic markers of the family and order were evidenced and several important ecological conclusions could be drawn. The ethanolic extract was also tested for several biological activities showing high effects in the antioxidant, cytoprotective and aflatoxin B1 production inhibitory assays. A brief explanation on these activities under the phytochemical standpoint was also included. [Display omitted] • Phytochemical analysis on the aerial parts of Odontites vulgaris Moench was reported. • A new population from Central Italy was studied. • Chemophenetic evaluation of the phytochemical results was added. • Biological activities of the ethanolic extract were performed. • The correlation between biological activities and phytochemistry was discussed. [ABSTRACT FROM AUTHOR]

Summary: An innovative functional food with symbiotic and functional potential was produced by combining probiotic milk kefir, and white grape‐seed pomace obtained by UAE (ultrasound‐assisted extraction) rich in catechin and glycosylated flavonoids. The milk kefir was fortified by adding, after 24 h of fermentation, a polymer of inulin grafted with seed extract. The inulin/grape extract‐enriched polymer showed a higher antioxidant profile (P < 0.05). Simulated in vitro digestion demonstrated that 50 g of the kefir product would result in the delivery of antioxidants equivalent to 300 mg of ascorbic acid. The integrity of the intestinal barrier functions was not compromised by kefir treatments (at 10 μg mL‐1). [ABSTRACT FROM AUTHOR]

Preparation and characterization of a block-like l , d -octapeptide-dextran conjugate DEX 29 -(l -Val- d -Val) 4 self-assembling into nanowire structures is reported. The conjugate was prepared by solid phase click-chemistry on an alkyne group N-terminus functionalized peptide with a regularly alternating enantiomeric sequence. Low molecular weight dextran (X n = 29) with moderately low dispersity (1.30) was prepared by controlled acid hydrolysis and dialysis with selected cut-off and functionalized with an azido group on the reducing end by reductive amination. The strong hydrogen bonds and hydrophobic interactions of the (l -Val- d -Val) 4 linear peptide drive the conjugate to self-assemble into long (0.1–1 μm) nanowires. To our knowledge, this is the first example of a peptide-polysaccharide conjugate that can self-assemble into a nanowire architecture. [ABSTRACT FROM AUTHOR]

Amino and sulfonate ending groups thiols are used as functionalizing agents to stabilize of gold nanoparticles (AuNPs), obtaining hydrophilic AuNPs with a 10–20 nm diameter range and tunable surface charge. The nanomaterial is extensively characterized from a physicochemical point of view by UV–Vis and Fourier‐transform infrared spectroscopy, nuclear magnetic resonance (NMR) spectroscopy, synchrotron radiation X‐ray photoelectron spectroscopy (XPS), and dynamic light scattering to investigate the bonding between the two thiols and the metal surface. Systems are also biologically characterized on human multiforme glioblastoma T98G cells to understand their behavior in cell culture for biomedical applications. NMR and XPS studies evidence the presence of amino ending thiols with different chain lengths, 6‐amino‐1‐hexanethiol hydrochloride (6EA) or cysteamine (CY) and sodium 3‐mercapto‐1‐propanesulfonate (3MPS) on the metal surface: the relative molar ratio between the thiols bound to the AuNPs (3MPS/6EA or 3MPS/CY) is measured. On selected samples, the anti‐PD‐L1 antibody is loaded using AuNPs/antibody combination in a 2:1 weight ratio. Comparing different AuNPs concentrations (10 and 50 µg mL−1), the effect on colony‐forming capacity after 24 h exposure is evaluated. The synthesized AuNPs are nontoxic, and they do not affect cell proliferation. These small particles can be used for targeting, opening tangible and interesting perspectives for further biomedical studies. [ABSTRACT FROM AUTHOR]

The use of organic substances in integrated pest management can contribute to human- and environment-safe crop production. In the present work, a combination of organic biostimulants (Fullcrhum Alert and BioVeg 500) and an inorganic corroborant (Clinogold, zeolite) was tested for the effects on the plant response to the quarantine pest tomato leaf curl New Delhi virus (ToLCNDV). Biostimulants were applied to healthy and infected greenhouse-grown zucchini plants, and the vegetative parameters and viral titer were evaluated. Although no antiviral effects were observed in terms of both virus replication and symptom expression, these biostimulants were shown to influence plant fitness. A significant increase in biomass and in leaf, flower, and fruit production was induced in both healthy and infected plants. Biostimulants also enhanced the production of metabolites commonly involved in plant response to virus infection, such as carbohydrates, phenylpropanoids and free amino acids. These results encourage new field trials to evaluate the actual productivity of infected plants after treatments and the possible application of organic biostimulants in agriculture. [ABSTRACT FROM AUTHOR]

Hepatitis C virus (HCV) infection induces a long-term inflammatory response and oxidative-stress in the liver microenvironment, leading to hepatic fibrosis and metabolic alterations. Direct-acting-antiviral-agents (DAAs) induce HCV-clearance, even though liver damage is only partially restored. In this context, understanding the impact of viral-eradication on liver metabolic activities could allow optimizing the metabolic care of the patient. The present prospective longitudinal study aims at characterizing the urinary metabolic profile of HCV-induced severe liver fibrosis and the metabolic changes induced by DAAs and HCV-clearance by nuclear magnetic resonance-based metabolomics. The urinary metabolic profile of 23 HCV males with severe liver fibrosis and 20 age-matched healthy-controls was analyzed by NMR-based-metabolomics before starting DAAs, at the end-of-therapy, after one and three months of follow-up. The urinary metabolic profile of patients with severe liver fibrosis was associated to pseudouridine, hypoxanthine, methylguanidine and dimethylamine, highlighting a profile related to oxidative damage, and to tyrosine and glutamine, related to a decreased breakdown of aromatic aminoacids and ammonia detoxification, respectively. 1-methylnicotinamide, a catabolic intermediate of nicotinamide-adenine-dinucleotide, was significantly increased in HCV-patients and restored after HCV-clearance, probably due to the reduced hepatic inflammation. 3-hydroxy-3-methylbutyrate, an intermediate of leucine-catabolism which was permanently restored after HCV-clearance, suggested an improvement of skeletal muscle protein synthesis. Finally, 3-hydroxyisobutyrate and 2,3-dihydroxy-2-methylbutyrate, intermediates of valine-catabolism, glycine and choline increased temporarily during therapy, resulting as potential biomarkers of DAAs systemic effects. [Display omitted] • Urinary metabotypes were related to liver fibrosis, HCV-clearance and DAA treatment. • Severe liver fibrosis urinary metabotype was evidenced despite HCV eradication. • 1-MNA decrease after HCV-clearance was associated to a reduced hepatic inflammation. • 3-HMB increase after HCV-clearance was associated to protein synthesis in muscles. • Transient modifications of amino acid metabolism were induced by DAA treatment. [ABSTRACT FROM AUTHOR]

Sodium lauryl ether sulfates (SLES) are a class of surfactants, among the most used in the formulations of healthcare products. Although largely used in industry, literature studies are hereto completely missing of the characterization of some species, as sodium lauryl triether sulfates (E3S), and of the effect of several assembly parameters, as temperature. Moreover, drastic disparity of assembly performance subsists among laboratory synthesized and industrial raw SLES, generating problems in the real-world applications of formulations design. We report on the self-assembly analysis of industrial grade sodium lauryl monoether sulfate (E1S), sodium lauryl diether sulfate (E2S) and laboratory synthesized E3S. The surfactants were studied in a large range of NaCl concentrations (0.1–1 M NaCl) and as function of the temperature by crossing Surface Tension, Small-Angle X-ray Scattering and Dynamic Light Scattering measurements. Such analysis enabled to establish systematic relationship between the molecular structure and assembly properties of the surfactants and to define size and morphologies variations of the aggregates. We observed that i) core-shell spherical aggregates evolve towards elongated core-shell structures upon addition of NaCl, ii) the elongation is higher the lower the number of the ether groups iii) E3S is greatly stable in the analyzed temperature range (20 °C - 60 °C), iv) the industrial grade SLES exhibit a minimum of the surface tension and an anticipated self-assembly as a function of concentration, probably due to the presence of hydrophobic impurities. Impurities are also detected by DLS in unfiltered samples of the industrial grade SLES as large particles. Moreover, a case of industrial interest was investigated: the instability of formulations comprising of E3S and 3,4,5-trimethoxybenzoic acid. Such information enriches the quite small literature on pure SLES self-assembly, rationalizing new and literature data within a unified framework. [Display omitted] [ABSTRACT FROM AUTHOR]

Abstract: Background: Resveratrol, a polyphenol found in plant products, has been shown to regulate many cellular processes and to display multiple protective and therapeutic effects. Several in vitro and in vivo studies have demonstrated the influence of resveratrol on multiple intracellular targets that may regulate metabolic homeostasis. Methods: We analysed the metabolic modifications induced by resveratrol treatment in a human hepatoblastoma line, HepG2 cells, using a 1H-NMR spectroscopy-based metabolomics approach that allows the simultaneous screening of multiple metabolic pathways. Results: Results demonstrated that cells cultured in the presence or absence of resveratrol displayed different metabolic profiles: the treatment induced a decreased utilisation of glucose and amino acids for purposes of energy production and synthesis associated to a decreased release of lactate in the culture medium and an increase in succinate utilisation. At the same time, resveratrol treatment slowed the cell cycle in the S phase without inducing apoptosis, and increased Sirt1 expression, also affecting its intracellular localisation. Conclusions: Our results show that the metabolomic analysis of the exometabolome of resveratrol-treated HepG2 cells indicates a metabolic switch from glucose and amino acid utilisation to fat utilisation for the production of energy, and seem in agreement with an effect mediated via AMPK- and Sirt1-activation. General significance: NMR-based metabolomics has been applied in a hepatocyte cell culture model in relation to resveratrol treatment; such an approach could be transferred to evaluate the effects of nutritional compounds with health impact. [Copyright &y& Elsevier]

Abstract: The synthesis and characterization of a tetranuclear Pt complex, cis–trans–cis–trans tetra[μ-2,6-diethynyl-4-nitroaniline-bis(tri(p-tolyl)phosphine) platinum(II)], namely [L2Pt-DENA]4 with L=tri-p-tolylphosphine, is reported. The complex was obtained by the dehydrohalogenative condensation of 2,6-diethynyl-4-nitroaniline (DENA) with cis-[dichlorobis(tri(p-tolyl)phosphine)platinum(II)]. The single crystal structure determination of [L2Pt-DENA]4 indicated the formation of a neutral molecular cycle with four alternating platinum units in cis and trans configurations, all bridged with DENA spacers with the presence of solvent (toluene) crystallization molecules. A twisted tetranuclear cyclic feature was identified. The formation of intermolecular stacks of the tetranuclear complex in solution was assessed by means of nuclear Overhauser enhancement spectroscopy (NOESY) and rotating frame Overhauser effect spectroscopy (ROESY) characterizations. [Copyright &y& Elsevier]

[Display omitted] • Hydrophilic gold nanoparticles for melamine detection were prepared. • The melamine was successfully detected in the range 2.5−500 ppm. • The sensing method based on the melamine-induced aggregation of AuNPs. • The recognition process is mediated by electrostatic interactions. In the last years, intense efforts have been made in order to obtain colloidal-based systems capable of pointing out the presence of melamine in food samples. In this work, we reported about the recognition of melamine in aqueous solution, using gold nanoparticles stabilized with 3-mercapto-1-propanesulfonate (AuNPs-3MPS), with the aim of deepening how the recognition process works. AuNPs were synthesized using a wet chemical reduction method. The synthesized AuNPs-3MPS probe was fully characterized, before and after the recognition process, by both physicochemical (UV–vis, FT-IR, 1H-NMR, DLS and ζ-potential) and morphostructural techniques (AFM, HR-TEM). The chemical and electronic structure was also investigated by SR-XPS. The sensing method is based on the melamine-induced aggregation of AuNPs; the presence of melamine was successfully detected in the range of 2.5−500 ppm. The results achieved also demonstrate that negatively charged AuNPs-3MPS are potentially useful for determining melamine contents in aqueous solution. SR-XPS measurements allowed to understand interaction mechanism between the probe and the analyte. The presence of sulfonate groups allows a mutual interaction mediated by electrostatic bonds between nanoparticles surface thiols and positively charged amino groups of melamine molecules. [ABSTRACT FROM AUTHOR]

Fatty acids and polyphenols represent different classes of pharmacologically active molecules. Hybrid derivatives of these compounds are interesting therapeutic tools. They could be obtained using enzymatic approaches, which allow regioselective derivatizations. In this short note, the pancreatic porcine lipase was employed to mediate the regioselective synthesis of 7-docosahexaenoyl-quercetin was described. The C-7 regioisomer formation was confirmed by 1H-NMR experiment. Generally, in this approach the alcoholic OH- was preferred when present. Nevertheless, in this case, it was demonstrated that the hindrance of the acyl group is a variable to obtain a good regioselectivity in C-7 position, employing only one-step reaction. [ABSTRACT FROM AUTHOR]

• Six divers were monitored during two experiments of exposure to hyperbaric atmosphere in dry and wet conditions • 30 minutes at 3 atmospheres increased the urinary excretion of 8-oxoGuo and 8-oxodGuo after 1.5 hours in dry and 4 hours in wet conditions • The levels of 8-oxoGuo and 8-oxodGuo tend to return to the baseline after 12 hours • NMR untargeted profiling of urine has individuate some statistically significant differences between Dry and Wet sessions • NMR shows that Hypoxanthine level increases during the wet exposure similarly to those of 8-oxoGuo and 8-oxodGuo Occupational exposure to hyperbaric atmosphere occurs in workers who carry out their activity in environments where breathing air pressure is at least 10% higher than pressure at sea level, and operations can be divided in Dry or Wet activities. The increased air pressure implies the formation of reactive oxygen species (ROS) and reactive nitrogen species (RNS), consumption of antioxidants and reduction of antioxidant enzyme activity, causing lipid peroxidation, DNA and RNA damage. The present study was aimed to establish the relation between hyperbaric exposure and metabolic changes due to ROS unbalance, by means of the determination of urinary biomarkers of oxidatively generated damage to DNA and RNA during a controlled diving session. The investigated biomarkers were 8-oxo-7,8-dihydroguanine (8-oxoGua), 8-oxo-7,8-dihydroguanosine (8-oxoGuo), and 8-oxo-7,8-dihydro-2'-deoxyguanosine (8-oxodGuo). The experimental session involved six experienced divers subjected to 3 atmospheres absolute for 30 minutes in two different experiments, in both dry and wet conditions. Urine samples were collected at t = 0 (before exposure) and 30 (end of exposure),90, 240, 480 and 720 minutes. The concentration of 8-oxoGua, 8-oxoGuo, and 8-oxodGuo was determined by isotopic dilution high performance liquid chromatography (HPLC-MS/MS). In all subjects there is an increase of the urinary excretion of 8oxo-Guo and 8oxo-dGuo, in both conditions, after 1.5 - 4 hours from the start of the experiment, and that the values tend to return to the baseline after 12 hours. Besides that, also the nucleic magnetic resonance (NMR)-based untargeted metabolomics was employed for the same objective on the same samples, confirming a different metabolic response in the subjects exposed to dry or wet conditions. In particular, the observed hypoxanthine urinary level increases during the underwater hyperbaric exposure, in agreement with the trend observed for 8-oxoGuo and 8-oxodGuo levels. Present results confirmed the relationship between exposure and oxidative stress and depicted a clear temporal trend of the investigated biomarkers. Due to the possible negative consequences of oxidative stress on workers, present research shows a new line in term of risk prevention. [ABSTRACT FROM AUTHOR]

In this work, an interesting application of phytochemistry for ethnopharmacological purposes was reported. In particular, the total phytochemical analysis of a single sample of Ajuga reptans L. (Lamiaceae) collected in Central Italy was carried out in order to provide a rationale for the use of this plant in folk medicine. This analysis was conducted on the volatile oil fraction by gas chromatography–mass spectroscopy (GC-MS) and on the polar one by means of classical column chromatography and nuclear magnetic resonance and MS. Thirty-nine volatile components were identified in the essential oil whereas 32 compounds were identified in the polar fraction. All of these are known to exert several beneficial medicinal activities and no potentially toxic compounds were identified such as the neo-clerodane diterpenoids, commonly evidenced in the entire genus. This study could provide a phytochemical rationale for the possible ethnopharmacological use of this specific species. [ABSTRACT FROM AUTHOR]

Summary: Seeds and skins from grape pomaces of Pecorello and Mantonico cv underwent extraction (ultrasound–assisted or maceration), in order to obtain added‐value ingredients for the production of a functional pear jam. The antioxidant features of the extracts were tested by in vitro colorimetric assays. Among seeds, Mantonico by maceration (MSC) showed the best results, as well as Mantonico by ultrasound‐assisted extraction (MBs) among skin extracts. The selected extracts were fully characterised by NMR and MS techniques, confirming the presence of many polyphenols, flavonoids and tannins among others. Pectin was then derivatised by the grafting procedure with the active molecules of MBs and MSC. The latter produced the best antioxidant polymer also without toxicity evaluated using Caco‐2 cells and was used for the jam preparation. The functional pear jam showed improved antioxidant performances in comparison with its non‐functional counterparts as well as its maintenance over time (15 days). [ABSTRACT FROM AUTHOR]

Abstract In this work, the fifth part of an ongoing phytochemical study on Wollemia nobilis was reported. The attention was now focused on the male reproduction organs of which the content in both primary and secondary metabolites was analyzed. Twenty compounds, belonging to seven different classes of natural compounds, were identified from the ethanolic extract by means of Column Chromatography and NMR and MS Spectroscopy. They all represent new compounds for the studied organ whereas some of them are also new constituents of the genus or even previously undescribed phytochemicals. Their presence was able to display a general overview of these organs from the phytochemical standpoint and to provide more elements in confirmation with the current botanical classification of the species. Moreover, they add a further experimental evidence of the tendency of this species to accumulate different metabolites in different organs. This characteristic as well as the occurrence of several compounds with added value, make this plant a possible candidate for large scale cultivation with extractive purposes to obtain useful phytochemicals for botanicals and pharmaceutical fields. Moreover, they offer the opportunity to develop an additional method of conservation and protection for this endangered and very rare species. Graphical abstract Unlabelled Image Highlights • Two new secondary metabolites were isolated and identified. • A differential accumulation of metabolites in the various organs was observed. • A possible sustainable source of added value phytochemicals was suggested. • The chemotaxonomy relevance of isolated compounds was discussed. [ABSTRACT FROM AUTHOR]

Abstract An undescribed labdane-like diterpene with a rare spiro-β-lactone function was identified from the ethanol extract of the male cones of the coniferous tree Wollemia nobilis. This spirolabdadienolide (IUPAC name: syn - ent -8(17),13-labdadien-19,18-olid-15-oic acid methyl ester; trivial name: wollemolide), was isolated by means of traditional and high performance chromatography techniques and structurally elucidated through NMR and MS. In addition, six further known metabolites were evidenced in the extract. Wollemolide, which may be considered an additional chemotaxonomic marker, and 4′- O -methyl-scutellarein, a simple flavonoid, had not been isolated in our previous phytochemical study on the same plant organ. This demonstrates how the molecular pattern of a plant species is in continuous movement and changes with the passing of time according to the climate of the year. Graphical abstract Image 1 Highlights • A reassessment of Wollemia nobilis male cones was carried out. • An undescribed syn - ent -labdadiene derivative was isolated. • A seasonal variability of metabolites was observed. • This is the first report on the presence of simple flavonoids in W. nobilis. • The chemosystematic relevance of isolated compounds was discussed. [ABSTRACT FROM AUTHOR]

Abstract The influence of Synthetic Organic Pigments in the degradation of Acrylem AC 33, a waterborne acrylic binder, after UVB-artificial exposure was furtherly investigated, extending the study to other pigments classes (anthraquinones, phthalocyanines, diketo-pyrrolo-pyrroles) in addition to previously studied azo-pigments. Together with Fourier Transform Infrared, both in Attenuated Reflectance and Transmission mode, and Nuclear Magnetic Resonance spectroscopies, Raman spectroscopy was also used to observe ageing processes that pigments are subjected to. Specific effects, relative to the presence of different pigments, have been observed also in this study; moreover, Raman spectroscopy highlighted photoinduced effects on some pigments, which could result useful in Cultural Heritage diagnostics, especially for street artworks. Highlights • Combination of NMR, FTIR and Raman spectroscopies to study UVB induced degradation phenomena. • Influence of carbonyl, phthalocyanines and diketo-pyrrolo-pyrrole pigments on UV degradation of acrylic binder. • Variations in Raman spectra of pigments deriving from UVB photodegradation. [ABSTRACT FROM AUTHOR]

Abstract: The organocatalyzed addition of several malonates to 1,4‐benzoquinones affords benzofuranones bearing a quaternary stereocenter with good enantioselectivity. This reaction is an intramolecular desymmetrization since it proceeds through the formation of an arylated achiral malonate that cyclizes to give the reaction product. The addition rate of the quinone dramatically affects the reaction yield which was originally low. The yield was considerably increased, in some cases, from less than 20 % to over 95 %, by adding the quinone in portions rather than at once, keeping similar enantioselectivity. A possible rationalization for the preferential formation of the indicated enantiomer has been investigated by DFT calculations. [ABSTRACT FROM AUTHOR]

Gold nanoparticles with an average diameter of 10 nm, functionalized by the dye molecule rhodamine B isothiocyanate, have been synthesized. The resulting material has been extensively characterized both chemically, to investigate the bonding between the dye molecules and the nanoparticles, and physically, to understand the details of the aggregation induced by interaction between dye molecules on different nanoparticles. The plasmonic response of the system has been further characterized by measurement and theoretical simulation of the static UV–Vis extinction spectra of the aggregates produced following different synthesis procedures. The model parameters used in the simulation gave further useful information on the aggregation and its relationship to the plasmonic response. Finally, we investigated the time dependence of the plasmonic effects of the nanoparticles and fluorescence of the dye molecule using an ultrafast pump–probe optical method. By modulating the quantity of dye molecules on the surface of the nanoparticles it was possible to exert fine control over the plasmonic response of nanoparticles. [ABSTRACT FROM AUTHOR]

The preparation and characterization of a novel linear d , l -octapeptide-poly(ethylene glycol) conjugate, formulated as biocompatible nanocarrier of hydrophobic drugs, was reported. The PEGylated d , l -octapeptide was designed to self-assemble in core-shell nanoparticles with rod-like morphology obtained by exploiting the self-assembling properties of linear peptides with regularly alternating enantiomeric sequences in tubular structures. The conformational properties of the conjugate and its self-assembling capability were assessed through dynamic light scattering, energy filtered-transmission electron microscopy, scanning electron microscopy, circular dichroism, fluorescence, and proton nuclear magnetic resonance spectroscopy. Furthermore, the upload in peptide-polymer nanoparticles of curcumin, adopted as model of hydrophobic drugs, was performed. In fact, despite accumulating evidence suggests that curcumin has different therapeutic activities, its use in medicine is limited to the very low water solubility, low bioavailability and chemical instability. This work addresses such drawbacks showing that nanoparticles obtained by For-( d -Phe- l -Cys(Acm)) 4 -NH-(CH 2 -CH 2 -O) 45 -CH 3 self-assembly are effective carriers for curcumin with high drug loading and sustained drug release. [ABSTRACT FROM AUTHOR]

An easy and effective analytical method was developed for the simultaneous quantification of four tocopherols (Ts) and four tocotrienols (T3s) in three pecan nut cultivars (Stuart, Sioux, and Pawnee). The analytes were separated on a C 30 column kept at 15 °C, under isocratic non-aqueous reversed-phase (NARP) conditions, in only 18 min and detected by atmospheric pressure chemical ionization–tandem mass spectrometry (APCI-MS/MS). The HPLC-APCI-MS/MS method was validated, according to the main FDA guidelines, and then applied for the characterization of the real samples. Analytes were extracted by cold saponification with recoveries greater than 87%. The limits of detection (LOD) and limits of quantification (LOQ) were in the range of 0.3–10 μg/100 mg and 1–30 μg/100 mg, respectively. Compared to other nuts, vitamin E composition of pecan nuts (Carya illinoinensis) has only partially been elucidated. Results have evidenced the prevalence of γ-forms for both Ts and T3 s and clear quantitative differences of the identified vitamers among the studied cultivars. The richest variety in vitamin E was Sioux with a total content of about ∼ 32 mg/100 g wet weight, followed by Stuart (∼16 mg/100 g) and Pawnee (∼9 mg/100 g). [ABSTRACT FROM AUTHOR]

Helichrysum stoechas (L.) Moench is one of the scientific names of everlasting flower, which has traditionally been used as an ornamental, medicinal and food plant. The aim of this study was to identify the main phytochemical constituents as well as to evaluate the potential of this plant in terms of antioxidant, antidiabetic and neuroprotective activities. The phytochemical analysis of the methanolic extract allowed for the identification of ten constituents mainly of phenolic nature and with chemosystematic relevance: two heterodimeric phloroglucinols, arzanol ( 1 ) and compound ( 3 ), one homodimeric α-pyrone, helipyrone ( 2 ), three phenolic acids, p -hydroxybenzoic ( 4 ), caffeic ( 5 ) and neochlorogenic ( 6 ) acids, one polymethoxylated and two glycosidic flavonoids, 5,7-dihydroxy-3,6,8-trimethoxyflavone ( 7 ), isoquercitrin ( 8 ) and quercetagetin-7- O -glucopyranoside ( 9 ) together with santinol B ( 10 ). Bioassays showed significant antioxidant and antiproliferative effects and for the first time the potential of Helichrysum stoechas to inhibit the MAO-A, AChE and TYR enzymes, as well as to exert anti-α-glucosidase and anti-dipeptidyl peptidase-4 activities. [ABSTRACT FROM AUTHOR]

Caralluma fimbriata Wall. is currently used as a “natural slimming” food supplement, likely due to its content in pregnane glycosides. In the present study, a commercially available Caralluma fimbriata extract (Slimaluma ® ; CFE, 100 mg/kg) has been evaluated for its ability to affect the ingestive behaviour in female rats, also with reference to the modulation of the brain neuropeptides NPY and ORX.The interference of CFE with α-amylase and lipase enzymes has been investigated in vitro , as possible peripheral mechanism of action. Also, the chemical composition of CFE has been assessed by NMR and spectrophotometric analysis. Results from in vivo study showed that CFE induced effects neither on blood parameters, nor on liver and gut histomorphology. Interestingly, a reduction in body weight gain with an increase in water intake and hypothalamic levels of NPY and ORX peptides were found. Phytochemical analysis, showed CFE contained about 12% of pregnane glycosides and 1.3% of polyphenols. Present results suggest possible effects of C. fimbriata on ingestive behaviour, likely mediated by central and peripheral mechanisms. [ABSTRACT FROM AUTHOR]

In this paper, an innovative alkaline mild extraction method has been applied to characterize the dyes present in lake-pigment and textile, prepared from American and Armenian cochineal. This extraction methodology, successfully employed for the conservation of glycosyl moieties in anthraquinone dyes from madder ( Rubia tinctorum L.), is applied on cochineal lake and textiles in order to evaluate if its application results in obtaining new information about cochineal dyes composition. Furthermore, in this paper, a slightly modified ammonia-Na 2 EDTA extraction methodology is presented. The modification of the extraction methodology resulted to be necessary to ensure its applicability to this class of natural dyes. Once optimized the protocol, the extracts have been analyzed through HPLC-HRMS, in order to characterize the present compounds. In particular, basing on the MS/MS paths reported in literature, it has been possible to recognize several O -glycosyl compounds, never found before in American cochineal dyed yarns or lake pigments extracts. In particular, for the first time, an O -glycoside of flavokermesic acid, known as pp6, suggested until this moment as a marker of Polish cochineal, has been recognized in both lake-pigment and dyed yarns prepared from American cochineal. In addition, it has been possible to compare the composition of American cochineal dyed yarns ammonia-Na 2 EDTA extracts with those obtained from Armenian cochineal dyed yarn, extracted with the same protocol. [ABSTRACT FROM AUTHOR]

In this work, the first phytochemical comparison performed on the polar fractions of two different phenotypes of Mentha aquatica L. having pink-violet and white flowers, is reported. This comparison was conducted through both a classical phytochemical analysis and a metabolomic one by means of spectroscopic and spectrometric approaches. Twenty-seven compounds were identified in both phenotypes. Most of them were evidenced in both. Anyway, all these compounds possess chemotaxonomic, pharmacological and nutritional value. In particular, one compound represents a new phytochemical for the species and two other compounds are new phytochemicals for the genus, instead. The results obtained allowed us to ascertain, from a phytochemical standpoint, that also this species can be used as possible medicinal plant like all the other species of this genus and as a source of important nutritional factors due to the presence of compounds with high nutritional properties. [ABSTRACT FROM AUTHOR]

Olive oil mill wastewaters (OMW) cause serious environmental pollution problems due to their high level of production and specific chemical characteristics. An innovative disposal treatment and simultaneous valorization technology consists of using OMW as a no-cost substrate for mixed microbial culture (MMC)-based polyhydroxyalkanoates (PHAs) production process. Here, an MMC multi-stage process was developed in which after acidogenic fermentation, OMW was subjected to a solid liquid separation step by centrifugation. The resulting solid fraction was converted into methane through anaerobic digestion in order to recover energy for the process, whereas the liquid fraction was used as feedstock for both the biomass selection and the PHA accumulation step. Most of OMW soluble chemical oxygen demand (COD) content in the liquid fraction (approximately 70%) was removed in a sequencing batch reactor (SBR) obtaining a high PHA production (about 532 mgCOD, in the feast phase). In particular, the strategy to uncouple COD feed from nitrogen supply within the SBR cycle, along with the operation of a settling phase before the famine phase, allowed to enhance the selective pressure towards PHA-storing microorganisms. Polymer production significantly increased in the accumulation reactor up to approximately 2470 mgCOD/L. Finally, anaerobic digestion tests on the OMW solid fraction showed a relevant COD conversion into methane (up to 100%). [ABSTRACT FROM AUTHOR]

In this study, The behavior of Acrylem AC 33–a waterborne paint binder, chemically a ethyl acrylate-methyl methacrylate copolymer-after an UVB-artificial ageing was evaluated. In particular, it has been investigated its behavior in presence of three different azo-pigments – Pigment Red 9, Pigment Yellow 3 and Pigment Yellow 74-, in order to evaluate the effects of these pigments on photodegradation processes of the medium. For this aim, Fourier Transformed InfraRed, both in Attenuated Reflectance and transmission mode, and Nuclear Magnetic Resonance Spectroscopies were used. Thanks to this multianalytical approach, the chemical variations, both on the surface and on the bulk of the pictorial film, have been assessed and the degradation products of surfactant present in the binder were identified. Furthermore, specific effects of these synthetic organic pigments on the photodegradation of the matrix and its additives were observed. The information obtained from this study can be employed in the characterization of differential ageing phenomena in artworks, especially in case of outdoor exposition as it occurs in street-art conditions. [ABSTRACT FROM AUTHOR]

Teucrium polium L. is a species with ancient ethno-botanical uses for its anti-inflammatory action which is mainly due to the phenolics content. On the other side, the presence of neo -clerodanes, which exert hepatotoxic action, may explain why in recent years the medicinal uses of this species have drastically diminished. In this paper we report on the isolation of a new natural neo -clerodane diterpenoid, namely 20- O -acetyl-teucrasiatin ( 2 ), together with other twelve relevant compounds in the fields of chemotaxonomy and ethnomedicine. Nevertheless, the total absence of iridoids and in particular of the chemotaxonomic markers of the family and of the genus itself, may reveal an intraspecific variability of T. polium with different chemotypes which may contain or not iridoids. [ABSTRACT FROM AUTHOR]

Three PEGylated β-sheet breaker peptides are designed as new inhibitors of β-amyloid fibrillization. The peptide Ac-Leu–Pro–Phe–Phe–Asp-NH2, considered the lead compound, and hexamers in which taurine and β-alanine substitute the acetyl group, are conjugated to poly(ethylene glycol); this conjugates self-assemble into nanoparticles. The activity of the PEGylated peptides as inhibitors of amyloid fibrillization are tested in vitro using circular dichroism spectroscopy and scanning electron microscopy. The experimental results indicate that PEGylation does not impair the ability of the β-sheet breaker peptides to inhibit fibrillogenesis in vitro. Moreover, microscopy images of β-amyloid incubated for 6 days with the taurine-containing peptide, suggest that this conjugate has major anti-fibrillogenesis activity and demonstrate the important role of the sulfonamide function against the amyloid aggregation. [ABSTRACT FROM AUTHOR]

The reaction of acyclic and cyclic β-keto esters, substituted at the methylene group, with N-protected trifluoromethyl aldimines is investigated under conditions A). [ABSTRACT FROM AUTHOR]

In this paper, we present a new alkaline mild extraction technique of madder dyes in lake and textile, based on the use of ammonia, in association with disodium EDTA. This method was developed in order to preserve the glycoside compounds fixed on the fiber or present in the lake. This new methodology was performed on samples of dyed textile and lake, prepared following the ancient recipes. At first, the extracts, obtained from these samples, were analyzed and characterized by 1D and 2D NMR (DOSY) and ESI-MS. In the second step, we evaluated the applicability and the efficiency of extraction on real samples of 1 mg, analyzed by HPLC–DAD and HPLC–MS. These analyses allow us to recognize the signals, referable to glycoside compounds, also in 1 mg samples. The new proposed method was compared with a commonly applied mild extraction method reported in literature (DMF–Na 2 EDTA method). Finally, the results obtained from the different analytical techniques applied allow us to conclude that the ammonia extracts of madder dyed yarn and lake are mainly composed of glycosylated anthraquinones, according to literature. [ABSTRACT FROM AUTHOR]