40 CFR 180.1086 - 3,7,11-Trimethyl-1,6,10-dodecatriene-1-ol and 3,7,11-trimethyl-2,6,10-dodecatriene-3-ol...

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 23 2010-07-01 2010-07-01 false 3,7,11-Trimethyl-1,6,10-dodecatriene-1-ol and 3,7,11-trimethyl-2,6,10-dodecatriene-3-ol; exemption from the requirement of a tolerance. 180....1086 3,7,11-Trimethyl-1,6,10-dodecatriene-1-ol and 3,7,11-trimethyl-2,6,10-dodecatriene-3-ol; exemption...

Applied Mycology Can Contribute to Sustainable Rural Livelihoods: Building upon China's Matsutake Management Initiatives.

PubMed

Brown, Madeline; McLellan, Timothy; Li, Huili; Karunarathna, Samantha C

2018-02-01

Matsutake mushrooms are an important part of rural livelihoods and forest ecosystems across large parts of China, as well as elsewhere in East Asia, Northern Europe and North America. Mushroom harvesters have developed sophisticated understandings of matsutake ecology and production, and are applying this knowledge in various innovative management strategies. At the same time, Chinese government agencies and scientists are promoting matsutake-based livelihoods to support development and conservation goals. We collaborated with matsutake harvesters in one Yunnan community to carry out a systematic experiment on a popular shiro-level management technique: covering matsutake shiros with either plastic or leaf litter. Our experimental results suggest that although leaf litter coverings are superior to plastic coverings, shiros that are left uncovered may produce the highest yields. Complementing our experimental work is a multi-sited household survey of existing matsutake management practices across Yunnan, which shows that a high proportion of harvesters are already engaged in a broad range of potentially beneficial management strategies. Though both findings highlight limitations of previous initiatives led by government and research actors in China, this existing body of work is an important foundation and opportunity for developing applied mycology in the region. In and beyond China, working with communities to develop site-specific management strategies through rigorous and participatory scientific inquiry can provide salient benefits for both scientists and resource users.

Applied Mycology Can Contribute to Sustainable Rural Livelihoods: Building upon China's Matsutake Management Initiatives

NASA Astrophysics Data System (ADS)

Brown, Madeline; McLellan, Timothy; Li, Huili; Karunarathna, Samantha C.

2018-02-01

Matsutake mushrooms are an important part of rural livelihoods and forest ecosystems across large parts of China, as well as elsewhere in East Asia, Northern Europe and North America. Mushroom harvesters have developed sophisticated understandings of matsutake ecology and production, and are applying this knowledge in various innovative management strategies. At the same time, Chinese government agencies and scientists are promoting matsutake-based livelihoods to support development and conservation goals. We collaborated with matsutake harvesters in one Yunnan community to carry out a systematic experiment on a popular shiro-level management technique: covering matsutake shiros with either plastic or leaf litter. Our experimental results suggest that although leaf litter coverings are superior to plastic coverings, shiros that are left uncovered may produce the highest yields. Complementing our experimental work is a multi-sited household survey of existing matsutake management practices across Yunnan, which shows that a high proportion of harvesters are already engaged in a broad range of potentially beneficial management strategies. Though both findings highlight limitations of previous initiatives led by government and research actors in China, this existing body of work is an important foundation and opportunity for developing applied mycology in the region. In and beyond China, working with communities to develop site-specific management strategies through rigorous and participatory scientific inquiry can provide salient benefits for both scientists and resource users.

[Tricholoma equestre--animal toxicity study].

PubMed

Chodorowski, Zygmunt; Sznitowska, Małgorzata; Wiśniewski, Marek; Sein Anand, Jacek; Waldman, Wojciech; Ronikier, Anna

2004-01-01

Animal toxicity study of Tricholoma equestre mushrooms stored for 12 months at (-)20 degrees C was performed using 30 male BALB/c mice. Three groups of 5 mice each were given suspension of T. equestre powder in water, boiled aqueous extract and chloroform-methanol extract dissolved in Miglyol 812 by gavage for three consecutive days. Mice in control groups were given water, Miglyol 812 and p-phenylenediamine (CAS 106-50-3). Creatine kinase activity was determined in serum collected 72 hours after the final dose. Mean activity of serum creatine kinase in mice treated with T. equestre powder, aqueous extract, chloroform-methanol extract and Miglyol 812 were 157 +/- 93, 129 +/- 30, 96 +/- 38, 111 +/- 66 U/L respectively and did not differ significantly from mean activity in mice which were given water (107 +/- 38 U/L). Mean serum creatine kinase activity in p-phenylenediamine group (265 +/- 63 U/L) was significantly higher than in group treated with water (p<0.01). Extracts of Tricholoma equestre mushrooms stored for 12 months at (-)20 degrees C did not cause rhabdomyolysis in male BALB/c mice.

Night-time tropospheric chemistry of the unsaturated alcohols ( Z)-pent-2-en-1-ol and pent-1-en-3-ol: Kinetic studies of reactions of NO 3 and N 2O 5 with stress-induced plant emissions

NASA Astrophysics Data System (ADS)

Pfrang, Christian; Baeza Romero, Maria T.; Cabanas, Beatriz; Canosa-Mas, Carlos E.; Villanueva, Florentina; Wayne, Richard P.

The night-time tropospheric chemistry of two stress-induced volatile organic compounds (VOCs), ( Z)-pent-2-en-1-ol and pent-1-en-3-ol, has been studied at room temperature. Rate coefficients for reactions of the nitrate radical (NO 3) with these pentenols were measured using the discharge-flow technique. Because of the relatively low volatility of these compounds, we employed off-axis continuous-wave cavity-enhanced absorption spectroscopy for detection of NO 3 in order to be able to work in pseudo first-order conditions with the pentenols in large excess over NO 3. The rate coefficients were determined to be (1.53±0.23)×10 -13 and (1.39±0.19)×10 -14 cm 3 molecule -1 s -1 for reactions of NO 3 with ( Z)-pent-2-en-1-ol and pent-1-en-3-ol. An attempt to study the kinetics of these reactions with a relative-rate technique, using N 2O 5 as source of NO 3 resulted in significantly higher apparent rate coefficients. Performing relative-rate experiments in known excesses of NO 2 allowed us to determine the rate coefficients for the N 2O 5 reactions to be (5.0±2.8)×10 -19 cm 3 molecule -1 s -1 for ( Z)-pent-2-en-1-ol, and (9.1±5.8)×10 -19 cm 3 molecule -1 s -1 for pent-1-en-3-ol. We show that these relatively slow reactions can indeed interfere with rate determinations in conventional relative-rate experiments.

Fungal-derived semiochemical 1-octen-3-ol disrupts dopamine packaging and causes neurodegeneration

PubMed Central

Inamdar, Arati A.; Hossain, Muhammad M.; Bernstein, Alison I.; Miller, Gary W.; Richardson, Jason R.; Bennett, Joan Wennstrom

2013-01-01

Parkinson disease (PD) is the most common movement disorder and, although the exact causes are unknown, recent epidemiological and experimental studies indicate that several environmental agents may be significant risk factors. To date, these suspected environmental risk factors have been man-made chemicals. In this report, we demonstrate via genetic, biochemical, and immunological studies that the common volatile fungal semiochemical 1-octen-3-ol reduces dopamine levels and causes dopamine neuron degeneration in Drosophila melanogaster. Overexpression of the vesicular monoamine transporter (VMAT) rescued the dopamine toxicity and neurodegeneration, whereas mutations decreasing VMAT and tyrosine hydroxylase exacerbated toxicity. Furthermore, 1-octen-3-ol also inhibited uptake of dopamine in human cell lines expressing the human plasma membrane dopamine transporter (DAT) and human VMAT ortholog, VMAT2. These data demonstrate that 1-octen-3-ol exerts toxicity via disruption of dopamine homeostasis and may represent a naturally occurring environmental agent involved in parkinsonism. PMID:24218591

Signaling Pathways Involved in 1-Octen-3-ol-Mediated Neurotoxicity in Drosophila melanogaster: Implication in Parkinson’s Disease

PubMed Central

Masurekar, Prakash; Hossain, Muhammad; Richardson, Jason R.; Bennett, Joan W.

2014-01-01

Previously, we have pioneered Drosophila melanogaster as a reductionist model to show that 1-octen-3-ol, a musty-smelling volatile compound emitted by fungi and other organisms, causes loss of dopaminergic neurons and Parkinson’s disease-like symptoms in flies. Using our in vivo Drosophila system, the modulatory roles of important signaling pathways—JNK, Akt and the caspase-3-dependent apoptotic pathway were investigated in the context of 1-octen-3-ol-induced dopamine neurotoxicity. When heterozygous flies carrying mutant alleles for these proteins were exposed to 0.5 ppm of 1-octen-3-ol, they had shorter survival times than wild-type Drosophila. The overexpressed levels of wild-type JNK and Akt, (UAS-bsk and UAS-Akt) with TH-GAL4 and elav-GAL4 drivers improved the survival duration of exposed flies compared with controls. Thus, we found that Akt and JNK both protect against loss of dopamine activity associated with 1-octen-3-ol exposure, indicating the pro-survival role of these signaling pathways. Further, 1-octen-3-ol exposure was associated with activation of caspase 3, a hallmark for apoptosis. PMID:23959949

Flavan-3-ols: nature, occurrence and biological activity.

PubMed

Aron, Patricia M; Kennedy, James A

2008-01-01

Representing the most common flavonoid consumed in the American diet, the flavan-3-ols and their polymeric condensation products, the proanthocyanidins, are regarded as functional ingredients in various beverages, whole and processed foods, herbal remedies and supplements. Their presence in food affects food quality parameters such as astringency, bitterness, sourness, sweetness, salivary viscosity, aroma, and color formation. The ability of flavan-3-ols to aid food functionality has also been established in terms of microbial stability, foamability, oxidative stability, and heat stability. While some foods only contain monomeric flavan-3-ols [(-)-epicatechin predominates] and dimeric proanthocyanidins, most foods contain oligomers of degree of polymerization values ranging from 1-10 or greater than 10. Flavan-3-ols have been reported to exhibit several health beneficial effects by acting as antioxidant, anticarcinogen, cardiopreventive, antimicrobial, anti-viral, and neuro-protective agents. This review summarizes the distribution and health effects of these compounds.

1-Octen-3-ol is repellent to Ips pini (Coleoptera: Curculionidae: Scolytinae) in the midwestern United States

Treesearch

Therese M. Poland; Tina M. Pureswaran Deepa S. Ciaramitaro; John H. Borden

2009-01-01

In field experiments at three sites in Michigan and Ohio we tested the activity of 1-octen-3-ol in combination with ipsdienol, the aggregation pheromone of the pine engraver, Ips pini (Say). When 1-octen-3-ol was added to funnel traps baited with ipsdienol, significantly fewer beetles of either sex were captured than in traps baited with ipsdienol...

The effects of low concentrations of the enantiomers of mushroom alcohol (1-octen-3-ol) on Arabidopsis thaliana

PubMed Central

Hung, Richard; Lee, Samantha; Bennett, Joan W.

2014-01-01

“Mushroom alcohol,” or 1-octen-3-ol, is a common fungal volatile organic compound (VOC) that has been studied for its flavor properties, its effects on fungal spore germination, mushroom development, and as a signaling agent for insects. Far less is known about its effects on plants. We exposed Arabidopsis thaliana seeds, under conditions conducive to germination, to high (10 and 100 mg/1) and low concentrations (1, 2, and 3 mg/1) of racemic, S, and R forms of 1-octen-3-ol for 3 days. In addition, 1-, 2-, 3-, and 4-week-old A. thaliana plants also were exposed to 1 mg/1 of the compounds for the same period of time. Seedling formation was retarded with all tested levels of exposure to 1-octen-3-ol for both enantiomers and the racemer, while 95% of unexposed control seeds germinated to seedling within 3 days. There was a dose-dependent response in the reduction of seedling formation between 1 mg/1 and 3 mg/1 of exposure. When exposed seeds were removed from the VOC, nearly all resumed germination. Young plants exposed to 1 mg/1 of the R and S enantiomers of 1-octen-3-ol exhibited a mild inhibition of growth and chlorophyll production at 2 and 3 weeks but not at 4 weeks. PMID:24999439

Flavan-3-ols Are an Effective Chemical Defense against Rust Infection1[OPEN

PubMed Central

Unsicker, Sybille B.; Fellenberg, Christin; Schmidt, Axel

2017-01-01

Phenolic secondary metabolites are often thought to protect plants against attack by microbes, but their role in defense against pathogen infection in woody plants has not been investigated comprehensively. We studied the biosynthesis, occurrence, and antifungal activity of flavan-3-ols in black poplar (Populus nigra), which include both monomers, such as catechin, and oligomers, known as proanthocyanidins (PAs). We identified and biochemically characterized three leucoanthocyanidin reductases and two anthocyanidin reductases from P. nigra involved in catalyzing the last steps of flavan-3-ol biosynthesis, leading to the formation of catechin [2,3-trans-(+)-flavan-3-ol] and epicatechin [2,3-cis-(−)-flavan-3-ol], respectively. Poplar trees that were inoculated with the biotrophic rust fungus (Melampsora larici-populina) accumulated higher amounts of catechin and PAs than uninfected trees. The de novo-synthesized catechin and PAs in the rust-infected poplar leaves accumulated significantly at the site of fungal infection in the lower epidermis. In planta concentrations of these compounds strongly inhibited rust spore germination and reduced hyphal growth. Poplar genotypes with constitutively higher levels of catechin and PAs as well as hybrid aspen (Populus tremula × Populus alba) overexpressing the MYB134 transcription factor were more resistant to rust infection. Silencing PnMYB134, on the other hand, decreased flavan-3-ol biosynthesis and increased susceptibility to rust infection. Taken together, our data indicate that catechin and PAs are effective antifungal defenses in poplar against foliar rust infection. PMID:29070515

Intercontinental divergence in the Populus-associated ectomycorrhizal fungus, Tricholoma populinum.

PubMed

Grubisha, Lisa C; Levsen, Nicholas; Olson, Matthew S; Taylor, D Lee

2012-04-01

The ectomycorrhizal fungus Tricholoma populinum is host-specific with Populus species. T. populinum has wind-dispersed progagules and may be capable of long-distance dispersal. In this study, we tested the hypothesis of a panmictic population between Scandinavia and North America. DNA sequences from five nuclear loci were used to assess phylogeographic structure and nucleotide divergence between continents. Tricholoma populinum was composed of Scandinavian and North American lineages with complete absence of shared haplotypes and only one shared nucleotide mutation. Divergence of these lineages was estimated at approx. 1.7-1.0 million yr ago (Ma), which occurred after the estimated divergence of host species Populus tremula and Populus balsamifera/Populus trichocarpa at 5 Ma. Phylogeographic structure was not observed within Scandinavian or North American lineages of T. populinum. Intercontinental divergence appears to have resulted from either allopatric isolation; a recent, rare long-distance dispersal founding event followed by genetic drift; or the response in an obligate mycorrhizal fungus with a narrow host range to contractions and expansion of host distribution during glacial and interglacial episodes within continents. Understanding present genetic variation in populations is important for predicting how obligate symbiotic fungi will adapt to present and future changing climatic conditions. © 2012 The Authors. New Phytologist © 2012 New Phytologist Trust.

Intercontinental divergence in the Populus-associated ectomycorrhizal fungus, Tricholoma populinum

Treesearch

L.C. Grubisha; N. Levsen; M.S. Olson; D.L. Taylor

2012-01-01

The ectomycorrhizal fungus Tricholoma populinum is host-specific with Populus species. T. populinum has wind-dispersed progagules and may be capable of long-distance dispersal. In this study, we tested the hypothesis of a panmictic population between Scandinavia and North America. DNA sequences from five...

Ethylidene-bridged Flavan-3-ols in red wine and correlation with wine age.

PubMed

Drinkine, Jessica; Lopes, Paulo; Kennedy, James A; Teissedre, Pierre-Louis; Saucier, Cedric

2007-07-25

Condensed tannins are responsible for astringency and bitterness and participate in the color stability of red wines. During wine making and aging, they undergo chemical changes including, for example, acetaldehyde-induced polymerization. Following this study, the ethylidene-bridged flavan-3-ols were monitored in different vintage wines made from grapes collected in the same vineyard in three wineries in Bordeaux, Pauillac, and Saint Julien. Flavan-3-ol ethylidene bridges were quantified by wine 2,2'-ethylidenediphloroglucinol (EDP) phloroglucinolysis. This method was based upon the analysis of EDP, a product formed after acid-catalyzed cleavage of wine flavan-3-ols in the presence of excess phloroglucinol. The flavan-3-ol ethylidene bridges were then compared to flavan-3-ol contents (phloroglucinolysis), phenolic contents, and color measurements. Low amounts of flavan-3-ol ethylidene bridges (0.8-2.5 mg L(-1)) were quantified in wines. Flavan-3-ol ethylidene bridges represent less than 4% of flavan-3-ol bonds, but the proportion of these linkages relative to native interflavan bonds increased with wine age. This proportion correlated with pigmented polymers.

Discovery of isatin and 1H-indazol-3-ol derivatives as d-amino acid oxidase (DAAO) inhibitors.

PubMed

Szilágyi, Bence; Kovács, Péter; Ferenczy, György G; Rácz, Anita; Németh, Krisztina; Visy, Júlia; Szabó, Pál; Ilas, Janez; Balogh, György T; Monostory, Katalin; Vincze, István; Tábi, Tamás; Szökő, Éva; Keserű, György M

2018-05-01

d-Amino acid oxidase (DAAO) is a potential target in the treatment of schizophrenia as its inhibition increases brain d-serine level and thus contributes to NMDA receptor activation. Inhibitors of DAAO were sought testing [6+5] type heterocycles and identified isatin derivatives as micromolar DAAO inhibitors. A pharmacophore and structure-activity relationship analysis of isatins and reported DAAO inhibitors led us to investigate 1H-indazol-3-ol derivatives and nanomolar inhibitors were identified. The series was further characterized by pK a and isothermal titration calorimetry measurements. Representative compounds exhibited beneficial properties in in vitro metabolic stability and PAMPA assays. 6-fluoro-1H-indazol-3-ol (37) significantly increased plasma d-serine level in an in vivo study on mice. These results show that the 1H-indazol-3-ol series represents a novel class of DAAO inhibitors with the potential to develop drug candidates. Copyright © 2018 Elsevier Ltd. All rights reserved.

Lead-resistant strain KQBT-3 inoculants of Tricholoma lobayensis Heim that enhance remediation of lead-contaminated soil.

PubMed

Li, Ying; Qin, Chui-Xin; Gao, Biyu; Hu, Yuanjia; Xu, Heng

2015-01-01

To enhance lead-detoxifying efficiency of Tricholoma lobayensis Heim, one lead-resistant strain KQBT-3 (Bacillus thuringiensis) was applied owing to its excellent ability to tolerate Pb. KQBT-3 domesticated in liquid medium with increasing lead concentrations could tolerate Pb(NO3)2 up to a concentration of 800 mg L(-1). Pot experiments showed that the KQBT-3 not only could promote the growth of T. lobayensis, but also could enhance its Pb accumulation ability under heavy metal stress. Biomass and accumulation of Pb increased 47.3% and 33.2%, respectively. In addition, after inoculation of KQBT-3, the significant decrease of malondialdehyde indicated KQBT-3 could alleviate lipid peroxidation in T. lobayensis. What is interesting is that superoxide dismutase and peroxidase activities in T. lobayensis inoculated with KQBT-3 were increased, and the maximum increasing rate was 121.71% and 117.29%, respectively. However, the catalase activity increased slightly. This revealed that inoculating KQBT-3 further induced oxidative response in T. lobayensis due to Pb accumulation. Therefore, the present work showed that KQBT-3 made a major contribution to promote growth and lead uptake of T. lobayensis and alleviate the oxidative stress. This kind of auxiliary effect on macrofungi can be developed into a novel bioremediation strategy.

Possible mechanisms of postprandial physiological alterations following flavan 3-ol ingestion.

PubMed

Osakabe, Naomi; Terao, Junji

2018-03-01

Foods rich in flavan 3-ols are known to prevent cardiovascular diseases by reducing metabolic syndrome risks, such as hypertension, hyperglycemia, and dyslipidemia. However, the mechanisms involved in this reduction are unclear, particularly because of the poor bioavailability of flavan 3-ols. Recent metabolome analyses of feces produced after repeated ingestion of foods rich in flavan 3-ols may provide insight into the chronic physiological changes associated with the intake of flavan 3-ols. Substantial postprandial changes have been reported after flavan 3-ol ingestion, including hemodynamic and metabolic changes as well as autonomic and central nervous alterations. Taken together, the evidence suggests that flavan 3-ols have both postprandial and chronic effects, which could involve different or common mechanisms. In general, the accumulation of acute functional changes induces chronic physiological alteration. Therefore, this review highlights the postprandial action of flavan 3-ols in order to address the yet unknown mechanism(s) for their physiological function. © The Author(s) 2018. Published by Oxford University Press on behalf of the International Life Sciences Institute. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

Discovery of the Aggregation Pheromone of the Brown Marmorated Stink Bug (Halyomorpha halys) through the Creation of Stereoisomeric Libraries of 1-Bisabolen-3-ols

USDA-ARS?s Scientific Manuscript database

The rhodium-catalyzed asymmetric addition of trimethylaluminum to diastereomeric mixtures of 1,10-bisaboladien-3-ones 1 and 2 provided a straightforward and novel route to all eight stereoisomers of 1,10-bisaboladien-3-ol and six of the sixteen stereoisomers of 10,11-epoxy-1-bisabolen-3-ol. Relativ...

Lanostane triterpenoids from Tricholoma pardinum with NO production inhibitory and cytotoxic activities.

PubMed

Zhang, Shuai-Bing; Li, Zheng-Hui; Stadler, Marc; Chen, He-Ping; Huang, Ying; Gan, Xiao-Qing; Feng, Tao; Liu, Ji-Kai

2018-05-11

Eight undescribed lanostane triterpenoids, pardinols A‒H, along with one previously reported lanostane triterpenoid, namely saponaceol B, were isolated from the fruiting bodies of Tricholoma pardinum. Their structures and stereoconfigurations were established via combination of extensive spectroscopic analyses, alkaline methanolysis method and TDDFT/ECD calculations. Pardinols B and E-H exhibited certain inhibition activities of nitric oxide (NO) production with IC 50 value ranging from 5.3 to 14.7 μM, as well as cytotoxicities against human cancer cell-lines. Copyright © 2018 Elsevier Ltd. All rights reserved.

Challenges and complexity of functionality evaluation of flavan-3-ol derivatives.

PubMed

Saito, Akiko

2017-06-01

Flavan-3-ol derivatives are common plant-derived bioactive compounds. In particular, (-)-epigallocatechin-3-O-gallate shows various moderate biological activities without severe toxicity, and its health-promoting effects have been widely studied because it is a main ingredient in green tea and is commercially available at low cost. Although various biologically active flavan-3-ol derivatives are present as minor constituents in plants as well as in green tea, their biological activities have yet to be revealed, mainly due to their relative unavailability. Here, I outline the major factors contributing to the complexity of functionality studies of flavan-3-ol derivatives, including proanthocyanidins and oligomeric flavan-3-ols. I emphasize the importance of conducting structure-activity relationship studies using synthesized flavan-3-ol derivatives that are difficult to obtain from plant extracts in pure form to overcome this challenge. Further discovery of these minor constituents showing strong biological activities is expected to produce useful information for the development of functional health foods.

3-Sulfanyl-4-methylpentan-1-ol in Dry-Hopped Beers: First Evidence of Glutathione S-Conjugates in Hop (Humulus lupulus L.).

PubMed

Kankolongo Cibaka, Marie-Lucie; Decourrière, Laura; Lorenzo-Alonso, Celso-José; Bodart, Etienne; Robiette, Raphaël; Collin, Sonia

2016-11-16

Monovarietal dry-hopped beers were produced with the dual-purpose hop cultivars Amarillo, Hallertau Blanc, and Mosaic. The grapefruit-like 3-sulfanyl-4-methylpentan-1-ol was found in all three beers at concentrations much higher than expected on the basis of the free thiol content in hop. Even cysteinylated precursors proved unable to explain our results. As observed in wine, the occurrence of S-glutathione precursors was therefore suspected in hop. The analytical standards of S-3-(4-methyl-1-hydroxypentyl)glutathione, never described before, and of S-3-(1-hydroxyhexyl)glutathione, previously evidenced in grapes, were chemically synthesized. An optimized extraction of glutathionylated precursors was then applied to Amarillo, Hallertau Blanc, and Mosaic hop samples. HPLC-ESI(+)MS/MS revealed, for the first time, the occurrence of S-3-(1-hydroxyhexyl)glutathione and S-3-(4-methyl-1-hydroxypentyl)glutathione in hop, at levels well above those reported for their cysteinylated counterparts. S-3-(1-Hydroxyhexyl)glutathione emerged in all cases as the major adduct in hop. Yet, although 3-sulfanylhexan-1-ol seems relatively ubiquitous in free, cysteinylated, and glutathionylated forms, the glutathione adduct of 3-sulfanyl-4-methylpentan-1-ol, never evidenced in other plants up to now, was found only in the Hallertau Blanc variety.

Uniting Tricholoma sulphureum and T. bufonium.

PubMed

Comandini, Ornella; Haug, Ingeborg; Rinaldi, Andrea C; Kuyper, Thomas W

2004-10-01

The taxonomic status and relationship of Tricholoma sulphureum and the similar T. bufonium were investigated using different sets of characters. These included morphological data on fruit bodies, ecological and chorological data, and analysis of the sequence data obtained for the ITS of basidiomes of different ecological and geographic origin. Moreover, the ectomycorrhizas formed by T. bufonium on Abies alba and Quercus sp. were characterised, and anatomical features compared with those of T. sulphureum mycorrhizas on coniferous and broad-leaved host trees. Our results revealed extensive ITS variation in members of the T. sulphureum group, but this variation was not correlated with morphology, ecology, or geographical distribution. We conclude that T. bufonium cannot be maintained as an autonomous taxon and should be treated as an infraspecific variant of T. sulphureum.

Reduction of 5-hydroxymethylfurfural formation by flavan-3-ols in Maillard reaction models and fried potato chips.

PubMed

Qi, Yajing; Zhang, Hao; Wu, Gangcheng; Zhang, Hui; Wang, Li; Qian, Haifeng; Qi, Xiguang

2018-04-13

5-Hydroxymethylfurfural (HMF) is regarded as a thermal process contaminant in foods. Six flavan-3-ol fractions were isolated or semisynthesized from sorghum, cranberry and grape seed. Their unit compositions, interflavan linkages and degree of polymerization (DP) were characterized. The aim of this study was to investigate the effect of flavan-3-ols on the formation of HMF in chemical reaction models and fried potato chips. Results showed that all flavan-3-ols significantly mitigated the HMF formation at concentrations of 50, 100 and 200 μg mL -1 in chemical model system, and the inhibition was positively related to dose. Using the food model, HMF content was reduced by about 50% when potato chips were soaked in an optimal concentration of 0.1 mg mL -1 flavan-3-ol solutions before frying. Based on the same mass concentration, B-type flavan-3-ols mitigated more HMF than A-type, and oligomeric proanthocyanidins had stronger inhibitory activity than polymers. At suitable addition levels (0.01-0.1 mg mL -1 ), the browning of auto-oxidized flavan-3-ols under high temperature compensated the anti-browning effect along with the supressing of Maillard reaction, therefore color of fried potato chips was not affected. The present study demonstrates that flavan-3-ols could be effective addtives for reducing HMF levels in fried potato chips without changing sensory properties. This article is protected by copyright. All rights reserved.

Dietary fiber and flavan-3-ols in shortbread biscuits enriched with barley flours co-products.

PubMed

Verardo, Vito; Riciputi, Ylenia; Messia, Maria Cristina; Vallicelli, Melania; Falasca, Luisa; Marconi, Emanuele; Caboni, Maria Fiorenza

2011-05-01

The coarse fraction obtained by air classification of barley flour, rich in dietary fiber and flavan-3-ols, was utilized to develop functional biscuits. The flavan-3-ol content, antioxidant activity and oxidative stability of biscuits were measured during storage under retail conditions for 1 year. The replacement of 60% (w/w) refined wheat flour with barley coarse fraction increased the ash, fiber and flavan-3-ol contents significantly. Biscuit samples enriched with barley coarse fraction had a significantly higher amount of fiber compared with the control sample (six times higher). The β-glucan content in enriched samples was 15 times higher than control samples. The flavan-3-ol loss in biscuits after baking was about 67%. The initial content of flavan-3-ols increased from 0.6 to 4.3 mg/100 g in biscuits formulated with barley coarse fraction and showed improved antioxidant properties. Lipid oxidation increased during the shelf-life; the enriched biscuit showed the higher lipid oxidation status, but the level reached during the shelf-life was lower than the limit of acceptance reported for bakery products and, for this reason, does not compromise the safety.

Copper-catalyzed synthesis of substituted furans and pyrroles by heterocyclodehydration and tandem heterocyclodehydration-hydration of 3-yne-1,2-diols and 1-amino-3-yn-2-ol derivatives.

PubMed

Gabriele, Bartolo; Veltri, Lucia; Plastina, Pierluigi; Mancuso, Raffaella; Vetere, Mabel V; Maltese, Vito

2013-05-17

CuCl2-catalyzed heterocyclodehydration of readily available 3-yne-1,2-diols and 1-amino-3-yn-2-ol derivatives afforded substituted furans and pyrroles, respectively, in good to high yields (53-99%) under mild conditions (MeOH as the solvent, 80-100 °C, 1-24 h). In the case of 2,2-dialkynyl-1,2-diols, bearing an additional alkynyl substituent at C-2, a cascade process, corresponding to copper-catalyzed heterocyclodehydration followed by acid-catalyzed hydration of the triple bond, was realized when the reaction was carried out in the presence of both CuCl2 and TsOH, leading to 3-acylfurans in one step and high yields (75-84%). Under the same conditions, N-Boc-2-alkynyl-1-amino-3-yn-2-ols were converted into the corresponding N-unsubstituted 3-acylpyrroles in low to fair yields (19-59%). However, working in the presence of added water and a large excess of CO2 (40 atm), in addition to CuCl2 and TsOH, caused a significant improvement of the yields of 3-acylpyrroles (68-87%), thus making the method of general synthetic applicability.

Germination of penicillium paneum Conidia is regulated by 1-octen-3-ol, a volatile self-inhibitor.

PubMed

Chitarra, Gilma S; Abee, Tjakko; Rombouts, Frank M; Posthumus, Maarten A; Dijksterhuis, Jan

2004-05-01

Penicillium paneum is an important contaminant of cereal grains which is able to grow at low temperature, low pH, high levels of carbon dioxide, and under acid conditions. P. paneum produces mycotoxins, which may be harmful to animals and humans. We found that conidia in dense suspensions showed poor germination, suggesting the presence of a self-inhibitor. A volatile compound(s) produced by these high-density conditions also inhibited mycelial growth of different species of fungi belonging to a variety of genera, suggesting a broad action range. The heat-stable compound was isolated by successive centrifugation of the supernatant obtained from spore suspensions with a density of 10(9) conidia ml(-1). By using static headspace analyses, two major peaks were distinguished, with the highest production of these metabolites after 22 h of incubation at 25 degrees C and shaking at 140 rpm. Gas chromatography coupled with mass spectra analysis revealed the compounds to be 3-octanone and 1-octen-3-ol. Notably, only the latter compound appeared to block the germination process at different developmental stages of the conidia (swelling and germ tube formation). In this study, 1-octen-3-ol influenced different developmental processes during the P. paneum life cycle, including induction of microcycle conidiation and inhibition of spore germination. Therefore, the compound can be considered a fungal hormone during fungal development.

Germination of Penicillium paneum Conidia Is Regulated by 1-Octen-3-ol, a Volatile Self-Inhibitor

PubMed Central

Chitarra, Gilma S.; Abee, Tjakko; Rombouts, Frank M.; Posthumus, Maarten A.; Dijksterhuis, Jan

2004-01-01

Penicillium paneum is an important contaminant of cereal grains which is able to grow at low temperature, low pH, high levels of carbon dioxide, and under acid conditions. P. paneum produces mycotoxins, which may be harmful to animals and humans. We found that conidia in dense suspensions showed poor germination, suggesting the presence of a self-inhibitor. A volatile compound(s) produced by these high-density conditions also inhibited mycelial growth of different species of fungi belonging to a variety of genera, suggesting a broad action range. The heat-stable compound was isolated by successive centrifugation of the supernatant obtained from spore suspensions with a density of 109 conidia ml−1. By using static headspace analyses, two major peaks were distinguished, with the highest production of these metabolites after 22 h of incubation at 25°C and shaking at 140 rpm. Gas chromatography coupled with mass spectra analysis revealed the compounds to be 3-octanone and 1-octen-3-ol. Notably, only the latter compound appeared to block the germination process at different developmental stages of the conidia (swelling and germ tube formation). In this study, 1-octen-3-ol influenced different developmental processes during the P. paneum life cycle, including induction of microcycle conidiation and inhibition of spore germination. Therefore, the compound can be considered a fungal hormone during fungal development. PMID:15128538

Molecular structure studies of (1S,2S)-2-benzyl-2,3-dihydro-2-(1H-inden-2-yl)-1H-inden-1-ol

PubMed Central

Zhang, Tao; Paluch, Krzysztof; Scalabrino, Gaia; Frankish, Neil; Healy, Anne-Marie; Sheridan, Helen

2015-01-01

The single enantiomer (1S,2S)-2-benzyl-2,3-dihydro-2-(1H-inden-2-yl)-1H-inden-1-ol (2), has recently been synthesized and isolated from its corresponding diastereoisomer (1). The molecular and crystal structures of this novel compound have been fully analyzed. The relative and absolute configurations have been determined by using a combination of analytical tools including X-ray crystallography, X-ray Powder Diffraction (XRPD) analysis and Nuclear Magnetic Resonance (NMR) spectroscopy. PMID:25750458

Flavan-3-ols Are an Effective Chemical Defense against Rust Infection.

PubMed

Ullah, Chhana; Unsicker, Sybille B; Fellenberg, Christin; Constabel, C Peter; Schmidt, Axel; Gershenzon, Jonathan; Hammerbacher, Almuth

2017-12-01

Phenolic secondary metabolites are often thought to protect plants against attack by microbes, but their role in defense against pathogen infection in woody plants has not been investigated comprehensively. We studied the biosynthesis, occurrence, and antifungal activity of flavan-3-ols in black poplar ( Populus nigra ), which include both monomers, such as catechin, and oligomers, known as proanthocyanidins (PAs). We identified and biochemically characterized three leucoanthocyanidin reductases and two anthocyanidin reductases from P. nigra involved in catalyzing the last steps of flavan-3-ol biosynthesis, leading to the formation of catechin [2,3-trans-(+)-flavan-3-ol] and epicatechin [2,3-cis-(-)-flavan-3-ol], respectively. Poplar trees that were inoculated with the biotrophic rust fungus ( Melampsora larici-populina ) accumulated higher amounts of catechin and PAs than uninfected trees. The de novo-synthesized catechin and PAs in the rust-infected poplar leaves accumulated significantly at the site of fungal infection in the lower epidermis. In planta concentrations of these compounds strongly inhibited rust spore germination and reduced hyphal growth. Poplar genotypes with constitutively higher levels of catechin and PAs as well as hybrid aspen ( Populus tremula × Populus alba ) overexpressing the MYB134 transcription factor were more resistant to rust infection. Silencing PnMYB134 , on the other hand, decreased flavan-3-ol biosynthesis and increased susceptibility to rust infection. Taken together, our data indicate that catechin and PAs are effective antifungal defenses in poplar against foliar rust infection. © 2017 American Society of Plant Biologists. All Rights Reserved.

Submerged culture conditions for the production of mycelial biomass and antimicrobial metabolites by Polyporus tricholoma Mont.

PubMed Central

Vieira, Gladys Rosane Thomé; Liebl, Mariane; Tavares, Lorena Benathar Ballod; Paulert, Roberta; Smânia Júnior, Artur

2008-01-01

Basidiomycete fungi of the Polyporus genus are a source of secondary metabolites which are of medicinal interest as antibacterial compounds. As these substances are produced in a small amount by the fungi, the study of the cultivation conditions in vitro that could possibly optimize their production seems of major importance. The effects of glucose and lactose, pH and agitation on biomass concentration and on the specific growth rate caused by the basidiomycete Polyporus tricholoma were investigated. The initial pH (4.5, 6.5 and 8.5) was autoregulated at pH 5.5, and the agitation increased the mycelial growth and the specific growth rate. The high concentration of carbon sources (4%) increased biomass production. The lactose concentration and the absence of agitation were determinant in the production of antibacterial metabolites. The characterization of the antibacterial substance by GC-MS indicated a major compound, isodrimenediol, produced by the fungus Polyporus tricholoma with activity against Staphylococcus aureus. PMID:24031266

The sequential action of a dipeptidase and a beta-lyase is required for the release of the human body odorant 3-methyl-3-sulfanylhexan-1-ol from a secreted Cys-Gly-(S) conjugate by Corynebacteria.

PubMed

Emter, Roger; Natsch, Andreas

2008-07-25

Human axillary odor is formed by the action of Corynebacteria on odorless axilla secretions. Sulfanylalkanols, 3-methyl-3-sulfanylhexan-1-ol in particular, form one key class of the odoriferous compounds. A conjugate with the dipeptide Cys-Gly has been reported as the secreted precursor for 3-methyl-3-sulfanylhexan-1-ol. Here, we confirm the Cys-Gly-(S) conjugate as the major precursor of this odorant, with lower levels of the Cys-(S) conjugate being present in axilla secretions. The enzymatic release of 3-methyl-3-sulfanylhexan-1-ol from the Cys-Gly-(S) conjugate by the axilla isolate Corynebacterium Ax20 was thus investigated. Cellular extracts of Ax20 released 3-methyl-3-sulfanylhexan-1-ol from the Cys-Gly-(S) conjugate and from the Cys-(S) conjugate, whereas the previously isolated C-S lyase of this bacterial strain was only able to cleave the Cys-(S) conjugate. o-Phenanthroline blocked the release from the Cys-Gly-(S) conjugate but did not affect cleavage of the Cys-(S) conjugate, indicating that in a first step, a metal-dependent dipeptidase hydrolyzes the Cys-Gly bond. This enzyme was purified by four chromatographic steps and gel electrophoresis, and the partial amino acid sequence was determined. The corresponding gene was cloned and expressed in Escherichia coli. It codes for a novel dipeptidase with a high affinity toward the Cys-Gly-(S) conjugate of 3-methyl-3-sulfanylhexan-1-ol. Co-incubating either the synthetic Cys-Gly-(S) conjugate or fresh axilla secretions with both the C-S lyase and the novel dipeptidase did release 3-methyl-3-sulfanylhexan-1-ol, proving that the sequential action of these two enzymes from the skin bacterium Corynebacterium Ax20 does release the odorant from the key secreted precursor.

Enhanced oxidation of flavan-3-ols and proanthocyanidin accumulation in water-stressed tea plants.

PubMed

Hernández, Iker; Alegre, Leonor; Munné-Bosch, Sergi

2006-06-01

(-)-Epicatechin (EC) and (-)-epigallocatechin gallate (EGCG), two major tea flavan-3-ols, have received attention in food science and biomedicine because of their potent antioxidant properties. In plants, flavan-3-ols serve as proanthocyanidin (PA) building blocks, and although both monomeric flavan-3-ols and PAs show antioxidant activity in vitro, their antioxidant function in vivo remains unclear. In the present study, EC quinone (ECQ) and EGCG quinone (EGCGQ), the oxidation products of EC and EGCG, increased up to 100- and 30-fold, respectively, in tea plants exposed to 19 days of water deficit. Oxidation of EC and EGCG preceded PAs accumulation in leaves, which increased from 35 to 53 mg gDW(-1) after 26 days of water deficit. Aside from the role monomeric flavan-3-ols may play in PAs biosynthesis, formation of ECQ and EGCGQ strongly negatively correlated with the extent of lipid peroxidation in leaves, thus supporting a protective role for these compounds in drought-stressed plants. Besides demonstrating flavonoid accumulation in drought-stressed tea plants, we show for the first time that EC and EGCG are oxidized to their respective quinones in plants in vivo.

The Sequential Action of a Dipeptidase and a β-Lyase Is Required for the Release of the Human Body Odorant 3-Methyl-3-sulfanylhexan-1-ol from a Secreted Cys-Gly-(S) Conjugate by Corynebacteria*S⃞

PubMed Central

Emter, Roger; Natsch, Andreas

2008-01-01

Human axillary odor is formed by the action of Corynebacteria on odorless axilla secretions. Sulfanylalkanols, 3-methyl-3-sulfanylhexan-1-ol in particular, form one key class of the odoriferous compounds. A conjugate with the dipeptide Cys-Gly has been reported as the secreted precursor for 3-methyl-3-sulfanylhexan-1-ol. Here, we confirm the Cys-Gly-(S) conjugate as the major precursor of this odorant, with lower levels of the Cys-(S) conjugate being present in axilla secretions. The enzymatic release of 3-methyl-3-sulfanylhexan-1-ol from the Cys-Gly-(S) conjugate by the axilla isolate Corynebacterium Ax20 was thus investigated. Cellular extracts of Ax20 released 3-methyl-3-sulfanylhexan-1-ol from the Cys-Gly-(S) conjugate and from the Cys-(S) conjugate, whereas the previously isolated C-S lyase of this bacterial strain was only able to cleave the Cys-(S) conjugate. o-Phenanthroline blocked the release from the Cys-Gly-(S) conjugate but did not affect cleavage of the Cys-(S) conjugate, indicating that in a first step, a metal-dependent dipeptidase hydrolyzes the Cys-Gly bond. This enzyme was purified by four chromatographic steps and gel electrophoresis, and the partial amino acid sequence was determined. The corresponding gene was cloned and expressed in Escherichia coli. It codes for a novel dipeptidase with a high affinity toward the Cys-Gly-(S) conjugate of 3-methyl-3-sulfanylhexan-1-ol. Co-incubating either the synthetic Cys-Gly-(S) conjugate or fresh axilla secretions with both the C-S lyase and the novel dipeptidase did release 3-methyl-3-sulfanylhexan-1-ol, proving that the sequential action of these two enzymes from the skin bacterium Corynebacterium Ax20 does release the odorant from the key secreted precursor. PMID:18515361

A major host plant volatile, 1-octen-3-ol, contributes to mating in the legume pod borer, Maruca vitrata (Fabricius) (Lepidoptera: Crambidae)

NASA Astrophysics Data System (ADS)

Bendera, M.; Ekesi, S.; Ndung'u, M.; Srinivasan, R.; Torto, B.

2015-10-01

Previous studies on the legume pod borer, Maruca vitrata Fabricius (Lepidoptera: Crambidae), a serious pest of cowpea, Vigna unguiculata (L.) Walp. (Fabales: Fabaceae), in sub-Saharan Africa have focused on sex pheromones, but the role of the host plant on sexual behavior has not been explored. We investigated this interaction in the laboratory using behavioral assays and chemical analyses. We found that the presence of cowpea seedlings and a dichloromethane extract of the leaf increased coupling in the legume pod borer by 33 and 61 %, respectively, compared to the control, suggesting the involvement of both contact and olfactory cues. We used coupled gas chromatography-electroantennographic detection (GC/EAD) and GC-mass spectrometry (GC/MS) to identify compounds from the cowpea leaf extract, detected by M. vitrata antenna. We found that the antennae of the insect consistently detected four components, with 1-octen-3-ol identified as a common and dominant component in both the volatiles released by the intact cowpea plant and leaf extract. We therefore investigated its role in the coupling of M. vitrata. In dose-response assays, 1-octen-3-ol increased coupling in M. vitrata with increasing dose of the compound compared to the control. Our results suggest that the cowpea volatile 1-octen-3-ol contributes to M. vitrata sexual behavior.

Influence of formulation and processing on absorption and metabolism of flavan-3-ols from tea and cocoa.

PubMed

Neilson, Andrew P; Ferruzzi, Mario G

2011-01-01

Flavan-3-ols are a major subclass of the class of plant phytochemicals known as flavonoids. Flavan-3-ols are commonly found in fruit, vegetable, and botanical products, including tea, cocoa, grapes, and apples. Both monomeric catechins and polymeric procyanidins are common in the diet, along with several derivatives produced by degradation of these species during processing. Both epidemiological and biological evidence suggests a health-protective role for dietary flavan-3-ols, leading to increased interest in the bioavailability of these compounds from foods. Flavan-3-ol bioavailability depends on numerous factors, including digestive release, absorption, metabolism, and elimination. In addition to these in vivo factors, the complexity of whole-food systems (physical form, flavan-3-ol form and dose, macronutrient and micronutrient profile, processing, etc.) influences the absorption efficiency and circulating profile of flavan-3-ols. An understanding of how food matrices may influence flavan-3-ol absorption will provide a framework to design and develop functional products that positively affect flavan-3-ol absorption and, by extension, potential bioactivity.

Milk decreases urinary excretion but not plasma pharmacokinetics of cocoa flavan-3-ol metabolites in humans.

PubMed

Mullen, William; Borges, Gina; Donovan, Jennifer L; Edwards, Christine A; Serafini, Mauro; Lean, Michael E J; Crozier, Alan

2009-06-01

Cocoa drinks containing flavan-3-ols are associated with many health benefits, and conflicting evidence exists as to whether milk adversely affects the bioavailability of flavan-3-ols. The objective was to determine the effect of milk on the bioavailability of cocoa flavan-3-ol metabolites. Nine human volunteers followed a low-flavonoid diet for 2 d before drinking 250 mL of a cocoa beverage, made with water or milk, that contained 45 micromol (-)-epicatechin and (-)-catechin. Plasma and urine samples were collected for 24 h, and flavan-3-ol metabolites were analyzed by HPLC with photodiode array and mass spectrometric detection. Milk affected neither gastric emptying nor the transit time through the small intestine. Two flavan-3-ol metabolites were detected in plasma and 4 in urine. Milk had only minor effects on the plasma pharmacokinetics of an (epi)catechin-O-sulfate and had no effect on an O-methyl-(epi)catechin-O-sulfate. However, milk significantly lowered the excretion of 4 urinary flavan-3-ol metabolites from 18.3% to 10.5% of the ingested dose (P = 0.016). Studies that showed protective effects of cocoa and those that showed no effect of milk on bioavailability used products that have a much higher flavan-3-ol content than does the commercial cocoa used in the present study. Most studies of the protective effects of cocoa have used drinks with a very high flavan-3-ol content. Whether similar protective effects are associated with the consumption of many commercial chocolate and cocoa products containing substantially lower amounts of flavan-3-ols, especially when absorption at lower doses is obstructed by milk, remains to be determined.

Diastereoisomers of 2-benzyl-2, 3-dihydro-2-(1H-inden-2-yl)-1H-inden-1-ol: potential anti-inflammatory agents.

PubMed

Sheridan, Helen; Walsh, John J; Cogan, Carina; Jordan, Michael; McCabe, Tom; Passante, Egle; Frankish, Neil H

2009-10-15

The synthesis and biological activity of the novel diastereoisomers of 2-benzyl-2,3-dihydro-2-(1H-inden-2-yl)-1H-inden-1-ol is reported. The 2,2-coupled indane dimers were synthesised by coupling of the silyl enol ether of 1-indanone with the dimethyl ketal of 2-indanone. The coupled product was directly alkylated to give the racemic ketone which was reduced to the diastereoisomeric alcohols. The alcohols were separated and their relative stereochemistry was established by X-ray crystallography. These molecules demonstrate significant anti-inflammatory activity in vivo and in vitro and may represent a new class of anti-inflammatory agent.

Associations between flavan-3-ol intake and CVD risk in the Norfolk cohort of the European Prospective Investigation into Cancer (EPIC-Norfolk)

PubMed Central

Vogiatzoglou, Anna; Mulligan, Angela A.; Bhaniani, Amit; Lentjes, Marleen A.H.; McTaggart, Alison; Luben, Robert N.; Heiss, Christian; Kelm, Malte; Merx, Marc W.; Spencer, Jeremy P.E.; Schroeter, Hagen; Khaw, Kay-Tee; Kuhnle, Gunter G.C.

2015-01-01

Dietary intervention studies suggest that flavan-3-ol intake can improve vascular function and reduce the risk of cardiovascular diseases (CVD). However, results from prospective studies failed to show a consistent beneficial effect. Associations between flavan-3-ol intake and CVD risk in the Norfolk arm of the European Prospective Investigation into Cancer and Nutrition (EPIC-Norfolk) were investigated. Data were available from 24,885 (11,252 men; 13,633 women) participants, recruited between 1993 and 1997 into the EPIC-Norfolk study. Flavan-3-ol intake was assessed using 7-day food diaries and the FLAVIOLA Flavanol Food Composition database. Missing data for plasma cholesterol and vitamin C were imputed using multiple imputation. Associations between flavan-3-ol intake and blood pressure at baseline were determined using linear regression models. Associations with CVD risk were estimated using Cox regression analyses. Median intake of total flavan-3-ols was 1034 mg/d (range: 0–8531 mg/d) for men and 970 mg/d (0–6695 mg/d) for women, median intake of flavan-3-ol monomers was 233 mg/d (0–3248 mg/d) for men and 217 (0–2712 mg/d) for women. There were no consistent associations between flavan-3-ol monomer intake and baseline systolic and diastolic blood pressure (BP). After 286,147 person-years of follow-up, there were 8463 cardiovascular events and 1987 CVD related deaths; no consistent association between flavan-3-ol intake and CVD risk (HR 0.93, 95% CI: 0.87; 1.00; Q1 vs Q5) or mortality was observed (HR 0.93, 95% CI: 0.84; 1.04). Flavan-3-ol intake in EPIC-Norfolk is not sufficient to achieve a statistically significant reduction in CVD risk. PMID:25795512

Structural and vibrational studies on 1-(5-methyl-[1,3,4] thiadiazol-2-yl)-pyrolidin-2-ol

NASA Astrophysics Data System (ADS)

Ramesh Babu, N.; Saleem, H.; Subashchandrabose, S.; Padusha, M. Syed Ali; Bharanidharan, S.

2016-01-01

FT-Raman and FT-IR spectra were recorded for1-(5-methyl-[1,3,4]thiadiazol-2-yl)-pyrolidin-2-ol (MTPN) sample in solid state. The equilibrium geometries, harmonic vibrational frequencies, IR and the Raman scattering intensities were computed using DFT/6-311++G (d,p) level. Results obtained at this level of theory were used for a detailed interpretation of the IR and Raman spectra, based on the TED of the normal modes. Molecular parameters such as bond lengths, bond angles and dihedral angles were calculated. The intra-molecular charge transfer was calculated by means of NBO. Hyperconjugative interaction energy was more during the π-π∗ transition. Energy gap of the molecule has been found using HOMO and LUMO calculation, hence the less band gap, which seems to be more stable.

Engineering Saccharomyces cerevisiae To Release 3-Mercaptohexan-1-ol during Fermentation through Overexpression of an S. cerevisiae Gene, STR3, for Improvement of Wine Aroma▿

PubMed Central

Holt, Sylvester; Cordente, Antonio G.; Williams, Simon J.; Capone, Dimitra L.; Jitjaroen, Wanphen; Menz, Ian R.; Curtin, Chris; Anderson, Peter A.

2011-01-01

Sulfur-containing aroma compounds are key contributors to the flavor of a diverse range of foods and beverages. The tropical fruit characters of Vitis vinifera L. cv. Sauvignon blanc wines are attributed to the presence of the aromatic thiols 3-mercaptohexan-1-ol (3MH), 3-mercaptohexan-1-ol-acetate, and 4-mercapto-4-methylpentan-2-one (4MMP). These volatile thiols are found in small amounts in grape juice and are formed from nonvolatile cysteinylated precursors during fermentation. In this study, we overexpressed a Saccharomyces cerevisiae gene, STR3, which led to an increase in 3MH release during fermentation of a V. vinifera L. cv. Sauvignon blanc juice. Characterization of the enzymatic properties of Str3p confirmed it to be a pyridoxal-5′-phosphate-dependent cystathionine β-lyase, and we demonstrated that this enzyme was able to cleave the cysteinylated precursors of 3MH and 4MMP to release the free thiols. These data provide direct evidence for a yeast enzyme able to release aromatic thiols in vitro that can be applied in the development of self-cloned yeast to enhance wine flavor. PMID:21478306

An analysis method for flavan-3-ols using high performance liquid chromatography coupled with a fluorescence detector.

PubMed

Wang, Liuqing; Yamashita, Yoko; Saito, Akiko; Ashida, Hitoshi

2017-07-01

Procyanidins belong to a family of flavan-3-ols, which consist of monomers, (+)-catechin and (-)-epicatechin, and their oligomers and polymers, and are distributed in many plant-derived foods. Procyanidins are reported to have many beneficial physiological activities, such as antihypertensive and anticancer effects. However, the bioavailability of procyanidins is not well understood owing to a lack of convenient and high-sensitive analysis methods. The aim of this study was to develop an improved method for determining procyanidin content in both food materials and biological samples. High performance liquid chromatography (HPLC) coupled with a fluorescence detector was used in this study. The limits of detection (LODs) of (+)-catechin, (-)-epicatechin, procyanidin B2, procyanidin C1, and cinnamtannin A2 were 3.0×10 -3  ng, 4.0×10 -3  ng, 14.0×10 -3  ng, 18.5×10 -3  ng, and 23.0×10 -3  ng, respectively; the limits of quantification (LOQs) were 10.0×10 -3  ng, 29.0×10 -3  ng, 28.5×10 -3  ng, 54.1×10 -3  ng, and 115.0×10 -3  ng, respectively. The LOD and LOQ values indicated that the sensitivity of the fluorescence detector method was around 1000 times higher than that of conventional HPLC coupled with a UV-detector. We applied the developed method to measure procyanidins in black soybean seed coat extract (BE) prepared from soybeans grown under three different fertilization conditions, namely, conventional farming, basal manure application, and intertillage. The amount of flavan-3-ols in these BEs decreased in the order intertillage > basal manure application > conventional farming. Commercially available BE was orally administered to mice at a dose of 250 mg/kg body weight, and we measured the blood flavan-3-ol content. Data from plasma analysis indicated that up to the tetramer oligomerization, procyanidins were detectable and flavan-3-ols mainly existed in conjugated forms in the plasma. In conclusion, we developed a highly sensitive and

Complexes of Small Chiral Molecules: Propylene Oxide and 3-BUTYN-2OL

NASA Astrophysics Data System (ADS)

Evangelisti, Luca; West, Channing; Coles, Ellie; Pate, Brooks

2017-06-01

Complexes of propylene oxide with 3-butyn-2-ol were observed in the molecular rotational spectra, and isotopologue analysis allowed for structural determination of the complexes. Using a gas mixture of 0.1% propylene oxide and 0.1% 3-butyn-2-ol in neon, the broadband rotational spectrum was measured in the 2-8 GHz frequency range using a chirped-pulse Fourier transform microwave spectrometer. Four isomers of each diastereomer pair, formed by a hydrogen bond between the two monomers, are identified in quantum chemistry study of the complex using B3LYP-D3BJ with the def2TZVP basis set. The initial measurement used racemic samples of both molecules in order to obtain all possible isomers of the complex in the pulsed jet expansion. A total of six distinct spectra were assigned in the racemic measurement - three for both the homochiral and heterochiral complex. Substitution structures for the most intense homochiral and heterochiral complexes were obtained. These complexes use the two lowest energy conformations of butynol despite conformational cooling of the monomer, resulting in a single identified isomer. This result shows that a wide range monomer conformational geometries need to be examined when performing searches for the lowest energy geometry. Analysis of the diastereomer spectra was used to develop a method for determining the enantiomeric excess of 3-butyn-2-ol and propylene oxide for use as a chiral tag, which could be used in subsequent measurements to determine enantiomeric excess. The sensitivity limits for enantiomeric excess determination and the linearity of the rotational spectroscopy signals as a function of sample enantiomeric excess will be presented.

Synthesis and characterization of a novel long-alkyl-chain ester-substituted benzimidazole gelator and its octan-1-ol solvate.

PubMed

Geiger, H Cristina; Zick, Patricia L; Roberts, William R; Geiger, David K

2017-04-01

The synthesis of a novel benzimidazole derivative with a long-chain-ester substituent, namely methyl 8-[4-(1H-benzimidazol-2-yl)phenoxy]octanoate, (3), is reported. Ester (3) shows evidence of aggregation in solution and weak gelation ability with toluene. The octan-1-ol solvate, methyl 8-[4-(1H-benzimidazol-2-yl)phenoxy]octanoate octan-1-ol monosolvate, C 22 H 26 N 2 O 3 ·C 8 H 18 O, (4), exhibits a four-molecule hydrogen-bonded motif in the solid state, with N-H...O hydrogen bonds between benzimidazole molecules and O-H...N hydrogen bonds between the octan-1-ol solvent molecules and the benzimidazole unit. The alkyl chains of the ester and the octan-1-ol molecules are in unfolded conformations. The phenylene ring is canted by 10.27 (6)° from the plane of the benzimidazole ring system. H...C contacts make up 20.7% of the Hirshfeld surface coverage. Weak C-H...π interactions involving the benzimidazole alkyl chain and three aromatic rings are observed.

OLS Client and OLS Dialog: Open Source Tools to Annotate Public Omics Datasets.

PubMed

Perez-Riverol, Yasset; Ternent, Tobias; Koch, Maximilian; Barsnes, Harald; Vrousgou, Olga; Jupp, Simon; Vizcaíno, Juan Antonio

2017-10-01

The availability of user-friendly software to annotate biological datasets and experimental details is becoming essential in data management practices, both in local storage systems and in public databases. The Ontology Lookup Service (OLS, http://www.ebi.ac.uk/ols) is a popular centralized service to query, browse and navigate biomedical ontologies and controlled vocabularies. Recently, the OLS framework has been completely redeveloped (version 3.0), including enhancements in the data model, like the added support for Web Ontology Language based ontologies, among many other improvements. However, the new OLS is not backwards compatible and new software tools are needed to enable access to this widely used framework now that the previous version is no longer available. We here present the OLS Client as a free, open-source Java library to retrieve information from the new version of the OLS. It enables rapid tool creation by providing a robust, pluggable programming interface and common data model to programmatically access the OLS. The library has already been integrated and is routinely used by several bioinformatics resources and related data annotation tools. Secondly, we also introduce an updated version of the OLS Dialog (version 2.0), a Java graphical user interface that can be easily plugged into Java desktop applications to access the OLS. The software and related documentation are freely available at https://github.com/PRIDE-Utilities/ols-client and https://github.com/PRIDE-Toolsuite/ols-dialog. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Roasting conditions for preserving cocoa flavan-3-ol monomers and oligomers: interesting behaviour of Criollo clones.

PubMed

De Taeye, Cédric; Bodart, Marie; Caullet, Gilles; Collin, Sonia

2017-09-01

Cocoa bean roasting is important for creating the typical chocolate aroma through Maillard reactions, but it is also a key step deleterious to the polyphenol content and profile. Compared with usual roasting at 150 °C, keeping the beans for 30 min at 120 °C or for 1 h at 90 °C proved much better for preventing strong degradation of native P1, P2 and P3 flavan-3-ols in cocoa (shown for Forastero, Trinitatio and Criollo cultivars). Surprisingly, Cuban, Mexican and Malagasy white-seeded beans behaved atypically when roasted for 30 min at 150 °C, releasing a pool of catechin. Enantiomeric chromatographic separation proved that this pool contained mainly (-)-catechin issued from (-)-epicatechin by epimerisation. As the (-)-epicatechin content remained relatively constant through Criollo bean roasting, flavan-3-ol monomers must have been regenerated from oligomers. This emergence of (-)-catechin in Criollo beans only, reported here for the first time, could be due to increased flavan-3-ol monomer stability in the absence of anthocyanidin-derived products. The degradation rate of flavan-3-ols through roasting is higher in cocoa beans containing anthocyani(di)ns. The liberation of a pool of (-)-catechin when submitted to roasting at 150 °C allows to distinguish white-seeded cultivars. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

Immobilization of flavan-3-ols onto sensor chips to study their interactions with proteins and pectins by SPR

NASA Astrophysics Data System (ADS)

Watrelot, Aude A.; Tran, Dong Tien; Buffeteau, Thierry; Deffieux, Denis; Le Bourvellec, Carine; Quideau, Stéphane; Renard, Catherine M. G. C.

2016-05-01

Interactions between plant polyphenols and biomacromolecules such as proteins and pectins have been studied by several methods in solution (e.g. isothermal titration calorimetry, dynamic light scattering, nuclear magnetic resonance and spectrophotometry). Herein, these interactions were investigated in real time by Surface Plasmon Resonance (SPR) analysis after immobilization of flavan-3-ols onto a sensor chip surface. (-)-epicatechin, (+)-catechin and flavan-3-ol oligomers with an average degree of polymerization of 2 and 8 were chemically modified using N-(2-(tritylthio)ethyl)propiolamide in order to introduce a spacer unit onto the catecholic B ring. Modified flavan-3-ols were then immobilized onto a carboxymethylated dextran surface (CM5). Immobilization was validated and further verified by evaluating flavan-3-ol interaction with bovine serum albumin (BSA), poly-L-proline or commercial pectins. BSA was found to have a stronger association with monomeric flavan-3-ols than oligomers. SPR analysis of selected flavan-3-ols immobilized onto CM5 sensor chips showed a stronger association for citrus pectins than apple pectins, regardless of flavan-3-ol degree of polymerization.

Low Barrier Methyl Rotation in 3-PENTYN-1-OL as Observed by Microwave Spectroscopy

NASA Astrophysics Data System (ADS)

Eibl, Konrad; Kannengießer, Raphaela; Stahl, Wolfgang; Nguyen, Ha Vinh Lam; Kleiner, Isabelle

2016-06-01

It is known that the barrier to internal rotation of the methyl groups in ethane (1) is about 1000 wn. If a C-C-triple bond is inserted between the methyl groups as a spacer (2), the torsional barrier is assumed to be dramatically lower, which is a common feature of ethinyl groups in general. To study this effect of almost free internal rotation, we measured the rotational spectrum of 3-pentyn-1-ol (3) by pulsed jet Fourier transform microwave spectroscopy in the frequency range from 2 to 26.5 GHz. Quantum chemical calculations at the MP2/6-311++G(d,p) level of theory yielded five stable conformers on the potential energy surface. The most stable conformer, which possesses C1 symmetry, was assigned and fitted using two theoretical approaches treating internal rotations, the rho axis method (BELGI-C1) and the combined axis method (XIAM). The molecular parameters as well as the internal rotation parameters were determined. A very low barrier to internal rotation of the methyl group of only 9.4545(95) wn was observed. R. M. Pitzer, Acc. Chem. Res., 1983, 16, 207-210

Acute Consumption of Flavan-3-ol-Enriched Dark Chocolate Affects Human Endogenous Metabolism.

PubMed

Ostertag, Luisa M; Philo, Mark; Colquhoun, Ian J; Tapp, Henri S; Saha, Shikha; Duthie, Garry G; Kemsley, E Kate; de Roos, Baukje; Kroon, Paul A; Le Gall, Gwénaëlle

2017-07-07

Flavan-3-ols and methylxanthines have potential beneficial effects on human health including reducing cardiovascular risk. We performed a randomized controlled crossover intervention trial to assess the acute effects of consumption of flavan-3-ol-enriched dark chocolate, compared with standard dark chocolate and white chocolate, on the human metabolome. We assessed the metabolome in urine and blood plasma samples collected before and at 2 and 6 h after consumption of chocolates in 42 healthy volunteers using a nontargeted metabolomics approach. Plasma samples were assessed and showed differentiation between time points with no further separation among the three chocolate treatments. Multivariate statistics applied to urine samples could readily separate the postprandial time points and distinguish between the treatments. Most of the markers responsible for the multivariate discrimination between the chocolates were of dietary origin. Interestingly, small but significant level changes were also observed for a subset of endogenous metabolites. 1 H NMR revealed that flavan-3-ol-enriched dark chocolate and standard dark chocolate reduced urinary levels of creatinine, lactate, some amino acids, and related degradation products and increased the levels of pyruvate and 4-hydroxyphenylacetate, a phenolic compound of bacterial origin. This study demonstrates that an acute chocolate intervention can significantly affect human metabolism.

Interaction of flavan-3-ol derivatives and different caseins is determined by more than proline content and number of proline repeats.

PubMed

Bohin, Maxime C; Vincken, Jean-Paul; Westphal, Adrie H; Tripp, Annelise M; Dekker, Peter; van der Hijden, Harry T W M; Gruppen, Harry

2014-09-01

Interactions of Type A and B flavan-3-ol dimers (procyanidins) and several monomeric flavan-3-ols, with α-casein and β-casein, were investigated. Binding affinities measured were related to the ligands structure, including several properties (e.g. intrinsic flexibility (number of rotatable bonds) and hydrophobicity), and to the amino-acid composition of the caseins. A monomeric flavan-3-ol esterified with gallic acid (EGCG) had a five to ten times higher affinity to caseins compared to the non-galloylated dimeric flavan-3-ols. In this case, the larger number of rotatable bonds in EGCG might be accountable for this difference. Comparing flavan-3-ol dimers, intrinsic flexibility did not consistently promote interactions, as procyanidin A1 displayed a higher affinity to α-casein than the supposedly more flexible B-type dimers investigated. Despite its higher content of proline, compared to α-casein, β-casein did not always have a higher affinity for the ligands investigated (e.g. no interaction with procyanidin A1 detected). These results suggest that more factors than proline content and the number of proline repeats govern phenolic-casein interactions. Copyright © 2014 Elsevier Ltd. All rights reserved.

Condensed Tannin Reacts with SO2 during Wine Aging, Yielding Flavan-3-ol Sulfonates.

PubMed

Ma, Lingjun; Watrelot, Aude A; Addison, Bennett; Waterhouse, Andrew L

2018-06-08

Numerous monomeric and oligomeric flavanol sulfonation products were observed in 10 wines. Levels of 0.85-20.06 and 0-14.72 mg/L were quantified for two monomeric sulfonated flavan-3-ols and, surprisingly, were generally higher than the well-known native flavan-3-ol monomers. Increasing SO 2 levels during wine aging increased the sulfonate-modified flavan-3-ol monomers and dimers along with higher concentrations of native monomers. The results indicate that >10% of SO 2 is reacting with the C-4 carbocation, formed from acid cleavage of the interflavan bond, perhaps by a bimolecular S N 2-type reaction, and as a reducing agent. In addition, the high SO 2 wine had the lowest protein-binding tannin levels, tannin activity, and mean degree of polymerization (mDP), and acidic SO 2 treatment of condensed tannin abolishes protein binding. Thus, SO 2 changes tannin composition during wine aging, and the substantial formation of sulfonate-modified flavan-3-ols may provide an additional explanation for the reduction in astringency of aged red wines.

Sensory effect of acetaldehyde on the perception of 3-mercaptohexan-1-ol and 3-isobutyl-2-methoxypyrazine: Role of acetaldehyde in sensory interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Coetzee, C.; Brand, J.; Jacobson, Daniel A.

Background and Aims-Wine aroma is influenced by complex interactions between various wine constituents. This study investigated the sensory interactive effects of Sauvignon Blanc impact compounds, 3-mercaptohexan-1-ol and 3-isobutyl-2-methoxypyrazine, with acetaldehyde that typically forms during the oxidation of wine. Methods and Results-Spiked model wines were subjected to sensory descriptive analysis using a trained sensory panel. Additionally, the concentration of each compound varied from below aroma threshold values to high values as reported for wine. Depending on the concentration, acetaldehyde enhanced fruity attributes at a lower concentration, whereas suppression occurred at a higher concentration. Acetaldehyde effectively suppressed the green pepper aroma attributemore » at certain concentration values, whereas 3-mercaptohexan-1-ol suppressed oxidised green apple associated with acetaldehyde. Changes in attributes used for aroma description also occurred because of change in concentration. Conclusions-Complex sensory interactions may occur between Sauvignon Blanc impact compounds and one of the main oxidation-derived compounds, acetaldehyde. Acetaldehyde can enhance or suppress pleasant fruity characters depending on the concentration. Significance of the Study-This study showed the potential positive effect of acetaldehyde on white wine aroma when present at a low concentration. Formation of this compound during winemaking and ageing should, however, be controlled because of negative sensory interactions occurring at a higher concentration. In conclusion, this study may also contribute to the sensory characterisation of Sauvignon Blanc wine undergoing oxidation.« less

Sensory effect of acetaldehyde on the perception of 3-mercaptohexan-1-ol and 3-isobutyl-2-methoxypyrazine: Role of acetaldehyde in sensory interactions

DOE PAGES

Coetzee, C.; Brand, J.; Jacobson, Daniel A.; ...

2016-01-28

Background and Aims-Wine aroma is influenced by complex interactions between various wine constituents. This study investigated the sensory interactive effects of Sauvignon Blanc impact compounds, 3-mercaptohexan-1-ol and 3-isobutyl-2-methoxypyrazine, with acetaldehyde that typically forms during the oxidation of wine. Methods and Results-Spiked model wines were subjected to sensory descriptive analysis using a trained sensory panel. Additionally, the concentration of each compound varied from below aroma threshold values to high values as reported for wine. Depending on the concentration, acetaldehyde enhanced fruity attributes at a lower concentration, whereas suppression occurred at a higher concentration. Acetaldehyde effectively suppressed the green pepper aroma attributemore » at certain concentration values, whereas 3-mercaptohexan-1-ol suppressed oxidised green apple associated with acetaldehyde. Changes in attributes used for aroma description also occurred because of change in concentration. Conclusions-Complex sensory interactions may occur between Sauvignon Blanc impact compounds and one of the main oxidation-derived compounds, acetaldehyde. Acetaldehyde can enhance or suppress pleasant fruity characters depending on the concentration. Significance of the Study-This study showed the potential positive effect of acetaldehyde on white wine aroma when present at a low concentration. Formation of this compound during winemaking and ageing should, however, be controlled because of negative sensory interactions occurring at a higher concentration. In conclusion, this study may also contribute to the sensory characterisation of Sauvignon Blanc wine undergoing oxidation.« less

[Separation/preconcentration of trace rare earth elements in Tricholoma giganteum by micro-column with nanometer A1203 and their determination by ICP-AES].

PubMed

Liu, Hong-gao; Wang, Yuan-zhong

2010-01-01

Using a micro-column packed with immobilized 1-phenyl-3-methyl-4-bonzoil-5-pyrazone(PMBP) on nanometer Al2O3 powder as the adsorption material, the adsorption and elution behaviors of rare earth ions (Sc3+, Y3+ and La3+) on the above material under dynamic conditions were studied with inductively coupled plasma-atomic emission spectrometry. The conditions for preconcentration of rare earth ions were optimized, and the results show that the studied ions can be adsorbed quantitatively on the above material at pH 4.5 and the analytes adsorbed on the column can be eluted with 0.5 mol x L(-1) HCl solution. The detection limits of the method for Sc, Y and La were 0.15, 0.18 and 0.34 microg x L(-1), respectively, and the relative standard deviations were 2.5%, 3.0% and 1.7%, respectively (n=12, c = 0.5 mg x L(-1)). The proposed method was applied to the determination of trace amount of Sc, Y and La in Tricholoma giganteum with satisfactory results.

Synthesis of substituted thiophenes by palladium-catalyzed heterocyclodehydration of 1-mercapto-3-yn-2-ols in conventional and nonconventional solvents.

PubMed

Gabriele, Bartolo; Mancuso, Raffaella; Veltri, Lucia; Maltese, Vito; Salerno, Giuseppe

2012-11-02

A variety of readily available 1-mercapto-3-yn-2-ols 5 were conveniently converted into the corresponding thiophenes 6 in good to high yields in MeOH as the solvent at 50-100 °C in the presence of catalytic amounts (1-2%) of PdI(2) in conjunction with KI (KI:PdI(2) molar ratio = 10). The catalyst could be made recyclable employing an ionic liquid, such as BmimBF(4), as the solvent under suitable conditions.

A recyclable and base-free method for the synthesis of 3-iodothiophenes by the iodoheterocyclisation of 1-mercapto-3-alkyn-2-ols in ionic liquids.

PubMed

Mancuso, Raffaella; Pomelli, Christian S; Chiappe, Cinzia; Larock, Richard C; Gabriele, Bartolo

2014-01-28

The first example of an iodocyclisation reaction made recyclable by the use of an ionic liquid as the reaction medium is reported. Readily available 1-mercapto-3-alkyn-2-ols were smoothly converted into the corresponding 3-iodothiophenes (50-81% yields, 10 examples) when allowed to react with iodine (1-2 equiv.) in a proper ionic liquid, such as 1-ethyl-3-methylimidazolium ethyl sulfate (EmimEtSO4), as the solvent under mild reaction conditions (25 °C) and in the absence of an external base. The reaction medium can be recycled several times without significantly affecting the reaction outcome. Theoretical calculations have also been performed to investigate the role of the ionic liquid anion in the reaction.

Caryolan-1-ol, an antifungal volatile produced by Streptomyces spp., inhibits the endomembrane system of fungi.

PubMed

Cho, Gyeongjun; Kim, Junheon; Park, Chung Gyoo; Nislow, Corey; Weller, David M; Kwak, Youn-Sig

2017-07-01

Streptomyces spp. have the ability to produce a wide variety of secondary metabolites that interact with the environment. This study aimed to discover antifungal volatiles from the genus Streptomyces and to determine the mechanisms of inhibition. Volatiles identified from Streptomyces spp. included three major terpenes, geosmin, caryolan-1-ol and an unknown sesquiterpene. antiSMASH and KEGG predicted that the volatile terpene synthase gene clusters occur in the Streptomyces genome. Growth inhibition was observed when fungi were exposed to the volatiles. Biological activity of caryolan-1-ol has previously not been investigated. Fungal growth was inhibited in a dose-dependent manner by a mixture of the main volatiles, caryolan-1-ol and the unknown sesquiterpene, from Streptomyces sp. S4-7. Furthermore, synthesized caryolan-1-ol showed similar antifungal activity. Results of chemical-genomics profiling assays showed that caryolan-1-ol affected the endomembrane system by disrupting sphingolipid synthesis and normal vesicle trafficking in the fungi. © 2017 The Authors.

Alteration of the systemic and microcirculation by a single oral dose of flavan-3-ols.

PubMed

Ingawa, Kodai; Aruga, Nozomi; Matsumura, Yusuke; Shibata, Masahiro; Osakabe, Naomi

2014-01-01

Several systematic reviews have reported that flow mediated dilatation (FMD) was significantly increased in subjects after ingestion of chocolate that contains flavan-3-ols; however, the mechanisms responsible for this effect are not clear. In this study, we evaluated the effects of a single oral dose of flavan-3-ols on the systemic circulation and microcirculation in the cremaster muscle using intravital video microscopy in vivo. The cremaster muscle in rats was spread over a plastic chamber and a gastric tube was placed into the stomach. Blood flow in the cremasteric artery was determined using a laser Doppler flowmeter, while blood pressure and heart rate were measured by the tail-cuff method. Red blood cell velocity in arterioles and blood flow in the artery were significantly increased 5 min after the administration of 10 mg/kg flavan-3-ols compared with distilled water treatment. The number of capillaries recruited in the cremaster muscle was also significantly increased 15 min after treatment. Microscopic observation confirmed that increased shear stress on endothelial cells was maintained during the measurement period. The mean arterial blood pressure and heart rate were also significantly elevated soon after administration and returned to baseline before the end of the observation period. Plasma nitrate and nitrite levels, and NO phosphorylation of aortic tissue were significantly increased at 60 min after administration of flavan-3-ols. According to these results, a single oral dose of flavan-3-ols elevates blood pressure and flow transiently, and these effects induce NO production through increased shear stress on endothelial cells.

Alteration of the Systemic and Microcirculation by a Single Oral Dose of Flavan-3-Ols

PubMed Central

Ingawa, Kodai; Aruga, Nozomi; Matsumura, Yusuke; Shibata, Masahiro; Osakabe, Naomi

2014-01-01

Several systematic reviews have reported that flow mediated dilatation (FMD) was significantly increased in subjects after ingestion of chocolate that contains flavan-3-ols; however, the mechanisms responsible for this effect are not clear. In this study, we evaluated the effects of a single oral dose of flavan-3-ols on the systemic circulation and microcirculation in the cremaster muscle using intravital video microscopy in vivo. The cremaster muscle in rats was spread over a plastic chamber and a gastric tube was placed into the stomach. Blood flow in the cremasteric artery was determined using a laser Doppler flowmeter, while blood pressure and heart rate were measured by the tail-cuff method. Red blood cell velocity in arterioles and blood flow in the artery were significantly increased 5 min after the administration of 10 mg/kg flavan-3-ols compared with distilled water treatment. The number of capillaries recruited in the cremaster muscle was also significantly increased 15 min after treatment. Microscopic observation confirmed that increased shear stress on endothelial cells was maintained during the measurement period. The mean arterial blood pressure and heart rate were also significantly elevated soon after administration and returned to baseline before the end of the observation period. Plasma nitrate and nitrite levels, and NO phosphorylation of aortic tissue were significantly increased at 60 min after administration of flavan-3-ols. According to these results, a single oral dose of flavan-3-ols elevates blood pressure and flow transiently, and these effects induce NO production through increased shear stress on endothelial cells. PMID:24740211

Synthesis, spectral characterization and density functional theory exploration of 1-(quinolin-3-yl)piperidin-2-ol

NASA Astrophysics Data System (ADS)

Suresh, M.; Syed Ali Padusha, M.; Bharanidharan, S.; Saleem, H.; Dhandapani, A.; Manivarman, S.

2015-06-01

The experimental and theoretical vibrational frequencies of a newly synthesized compound, namely 1-(quinolin-3-yl)piperidin-2-ol (QPPO) are analyzed. The experimental FT-IR (4000-400 cm-1) and FT-Raman (4000-100 cm-1) of the molecule in solid phase have been recorded. The optimized molecular structure, vibrational assignments of QPPO have been investigated experimentally and theoretically using Gaussian03W software package. The stability of the molecule arising from hyper-conjugative interaction and charge delocalization has been analyzed using NBO analysis. The first order hyperpolarizability (β0) is calculated to find its character in non-linear optics. Gauge including atomic orbital (GIAO) method is used to calculate 1H NMR chemical shift calculations were carried out and compared with experimental data. The electronic properties like UV-Visible spectral analysis and HOMO-LUMO energies were reported. The energy gap shows that the charge transfer occurs within the molecule. Thermodynamic parameters of the title compound were calculated at various temperatures.

Optimization of cellulase-assisted extraction process and antioxidant activities of polysaccharides from Tricholoma mongolicum Imai.

PubMed

Zhao, Yong-Ming; Song, Jin-Hui; Wang, Jin; Yang, Jian-Ming; Wang, Zhi-Bao; Liu, Ying-Hui

2016-10-01

Tricholoma mongolicum Imai is a well-known edible and medicinal mushroom which in recent years has attracted increasing attention because of its bioactivities. In this study, water-soluble polysaccharides were extracted from T. mongolicum Imai by cellulase-assisted extraction and their antioxidant activities were investigated. In order to improve the yield of polysaccharides, four variables, cellulase amount (X1 ), pH (X2 ), temperature (X3 ) and extraction time (X4 ), were investigated with a Box-Behnken design. The optimal conditions were predicted to be cellulase amount of 20 g kg(-1) , pH of 4.0, temperature of 50 °C and extraction time of 127 min, with a predicted polysaccharide yield of 190.1 g kg(-1) . The actual yield of polysaccharides under these conditions was 189.6 g kg(-1) , which matched the predicted value well. The crude polysaccharides were purified to obtain four fractions, and characterization of each was carried out. In addition, antioxidant properties of four polysaccharides assessed by 1,1-diphenyl-2-picryldydrazyl (DPPH) and hydroxyl radical-scavenging assays indicated that polysaccharides from T. mongolicum Imai (TMIPs) possessed antioxidant activity in a dose-dependent manner. TMIPs show moderate antioxidant activities in vitro. Therefore it is suggested that TMIPs are potential natural antioxidants for use in functional foods. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

Neuroprotective Effects of a Novel Single Compound 1-Methoxyoctadecan-1-ol Isolated from Uncaria sinensis in Primary Cortical Neurons and a Photothrombotic Ischemia Model

PubMed Central

Kim, Ha Neui; Kim, Yu Ri; Hong, Jin Woo; Bae, Dong Won; Park, Se Jin; Shin, Hwa Kyoung; Choi, Byung Tae

2014-01-01

We identified a novel neuroprotective compound, 1-methoxyoctadecan-1-ol, from Uncaria sinensis (Oliv.) Havil and investigated its effects and mechanisms in primary cortical neurons and in a photothrombotic ischemic model. In primary rat cortical neurons against glutamate-induced neurotoxicity, pretreatment with 1-methoxyoctadecan-1-ol resulted in significantly reduced neuronal death in a dose-dependent manner. In addition, treatment with 1-methoxyoctadecan-1-ol resulted in decreased neuronal apoptotic death, as assessed by nuclear morphological approaches. To clarify the neuroprotective mechanism of 1-methoxyoctadecan-1-ol, we explored the downstream signaling pathways of N-methyl-D-aspartate receptor (NMDAR) with calpain activation. Treatment with glutamate leads to early activation of NMDAR, which in turn leads to calpain-mediated cleavage of striatal-enriched protein tyrosine phosphatase (STEP) and subsequent activation of p38 mitogen activated protein kinase (MAPK). However, pretreatment with 1-methoxyoctadecan-1-ol resulted in significantly attenuated activation of GluN2B-NMDAR and a decrease in calpain-mediated STEP cleavage, leading to subsequent attenuation of p38 MAPK activation. We confirmed the critical role of p38 MAPK in neuroprotective effects of 1-methoxyoctadecan-1-ol using specific inhibitor SB203580. In the photothrombotic ischemic injury in mice, treatment with 1-methoxyoctadecan-1-ol resulted in significantly reduced infarct volume, edema size, and improved neurological function. 1-methoxyoctadecan-1-ol effectively prevents cerebral ischemic damage through down-regulation of calpain-mediated STEP cleavage and activation of p38 MAPK. These results suggest that 1-methoxyoctadecan-1-ol showed neuroprotective effects through down-regulation of calpain-mediated STEP cleavage with activation of GluN2B-NMDAR, and subsequent alleviation of p38 MAPK activation. In addition, 1-methoxyoctadecan-1-ol might be a useful therapeutic agent for brain disorder

Gibbs Energy Additivity Approaches in Estimation of Dynamic Viscosities of n-Alkane-1-ol

NASA Astrophysics Data System (ADS)

Phankosol, S.; Krisnangkura, K.

2017-09-01

Alcohols are solvents for organic and inorganic substances. Dynamic viscosity of liquid is important transport properties. In this study models for estimating n-alkan-1-ol dynamic viscosities are correlated to the Martin’s rule of free energy additivity. Data available in literatures are used to validate and support the proposed equations. The dynamic viscosities of n-alkan-1-ol can be easily estimated from its carbon numbers (nc) and temperatures (T). The bias, average absolute deviation and coefficient of determination (R2) in estimating of n-alkan-1-ol are -0.17%, 1.73% and 0.999, respectively. The dynamic viscosities outside temperature between 288.15 and 363.15 K may be possibly estimated by this model but accuracy may be lower.

Studies in search of selective detection of isomeric biogenic hexen-1-ols and hexanal by flowing afterglow tandem mass spectrometry using [H3O]+ and [NO]+ reagent ions.

PubMed

Dhooghe, Frederik; Vansintjan, Robbe; Schoon, Niels; Amelynck, Crist

2012-08-30

Plants emit a blend of oxygenated volatile C(6) compounds, known as green leaf volatiles (GLVs), in response to leaf tissue damage related to stress conditions. On-line chemical ionization mass spectrometry (CI-MS) techniques have often been used to study the dynamics of these emissions but they fail to selectively detect some important GLV compounds. A flowing afterglow tandem mass spectrometer (FA-TMS) was used to investigate the feasibility of selective on-line detection of isomeric hexen-1-ols and hexanal. Product ions at m/z 101 and 83 from chemical ionization (CI) of these compounds by [H(3)O](+), and product ions at m/z 100, 99, 83, 82 and 72 from CI by [NO](+), have been subjected to collision-induced dissociation (CID) in the collision cell of the TMS at center-of-mass energies ranging between 0 and 9 eV. CID of product ions at m/z 101 and 83 from CI of GLVs with [H(3)O](+) and of product ions at m/z 83, 82 and 72 from CI of GLVs with [NO](+) resulted in identical fragmentation patterns for all measured compounds, ruling out any selectivity. However, CID of product ions at m/z 100 and 99 from CI by [NO](+) led to CID product ions with abundances differing largely between the compounds, allowing the fast selective detection of 2-hexen-1-ols, 3-hexen-1-ols and hexanal with a chosen accuracy within a well-defined range of relative concentrations. This research illustrates that, in contrast to common CI-MS techniques, FA-TMS allows the selective detection of hexanal in a mixture of hexanal and hexen-1-ols with a chosen accuracy for a well-defined range of relative concentrations and represents a step forward in the search for selective detection of GLVs in CI-TMS. Copyright © 2012 John Wiley & Sons, Ltd.

Single oral administration of flavan 3-ols induces stress responses monitored with stress hormone elevations in the plasma and paraventricular nucleus.

PubMed

Fujii, Yasuyuki; Suzuki, Kenta; Hasegawa, Yahiro; Nanba, Fumio; Toda, Toshiya; Adachi, Takahiro; Taira, Shu; Osakabe, Naomi

2018-06-11

We previously confirmed that postprandial alterations in the circulation and metabolism after a single oral dose of flavan 3-ols (mixture of catechin and catechin oligomers) were involved in an increase in sympathetic nervous activity. However, it is well known that, in response to various stresses, activation of the hypothalamic-pituitary-adrenal (HPA) axis occurs together with sympathetic nerve activity, which is associated with activation of the sympathetic-adrenal-medullary (SAM) axis. In this study, we examined whether the HPA axis was activated after a single dose of flavan 3-ols. We administered an oral dose of 10 or 50 mg/kg flavan 3-ols to male ICR mice, removed the brains, and fixed them in paraformaldehyde-phosphate buffer. Other animals that were treated similarly were decapitated, and blood was collected. In the paraventricular nucleus (PVN), c-fos mRNA expression increased significantly at 15 min after administration of either 10 or 50 mg/kg flavan 3-ols. Corticotropin-releasing hormone (CRH) mRNA expression levels significantly increased at 240 min after administration of 10 mg/kg flavan 3-ols, and at 60 min after administration of 50 mg/kg flavan 3-ols. Plasma corticosterone levels were also significantly increased at 240 min after ingestion of 50 mg/kg flavan 3-ols. In this experiment, we confirmed that the ingestion of flavan 3-ols acted as a stressor in mammals with activation both the SAM and HPA axes. Copyright © 2018 Elsevier B.V. All rights reserved.

A recyclable palladium-catalyzed synthesis of 2-methylene-2,3-dihydrobenzofuran-3-ols by cycloisomerization of 2-(1-hydroxyprop-2-ynyl)phenols in ionic liquids.

PubMed

Mancuso, Raffaella; Gabriele, Bartolo

2013-09-04

A recyclable palladium-catalyzed synthesis of 2-methylene-2,3-dihydrobenzofuran-3-ols 2 by heterocyclization of 2-(1-hydroxyprop-2-ynyl)phenols 1 in an ionic liquid medium (BmimBF4) is presented. The process takes place under relatively mild conditions (100 °C, 5 h) in the presence of catalytic amounts (2 mol %) of PdI2 in conjunction with KI (5 equiv with respect to PdI2) and an organic base, such as morpholine (1 equiv with respect to 1), to give 2 in high yields (70%-86%). The PdI2-KI catalytic system could be recycled up to six times without appreciable loss of activity. Moreover, products 2 could be easily converted in a one-pot fashion into 2-hydroxymethylbenzofurans 3 (52%-71%, based on 1) and 2-methoxymethylbenzofurans 4 (52%-80%, based on 1) by acid-catalyzed allylic isomerization or allylic nucleophilic substitution.

Kinetic and mechanistic studies of base-catalyzed phenylselenoetherification of (Z)- and (E)-hex-4-en-1-ols.

PubMed

Divac, Vera M; Puchta, Ralph; Bugarčić, Zorica M

2012-08-02

The mechanism of phenylselenoetherification of (Z)- and (E)-hex-4-en-1-ols using some bases (triethylamine, pyridine, quinoline, 2,2'-bipyridine) as catalysts and some solvents [tetrahydrofuran (THF) and CCl4] as reaction media was examined through studies of kinetics of the cyclization by UV-vis spectrophotometry. It was demonstrated that the intramolecular cyclization is facilitated in the presence of bases as a result of the hydrogen bond between the base and the alkenol's OH group. The rate constants in the base-catalyzed reactions are remarkably influenced by the bulkiness and basicity of the base used and the nature of the considered nitrogen donors. The obtained values for rate constants show that the reaction with triethylamine is the fastest one. THF with higher polarity and higher basic character is better as a solvent than CCl4. Quantum-chemical calculations [MP2(fc)/6-311+G**//B3LYP/6-311+G** + ZPE(B3LYP/6-311+G**] show that the cyclization of (Z)-hex-4-en-1-ol to a tetrahydrofuranoid five-membered ring is kinetically controlled, while the cyclization of (E)-hex-4-en-1-ol to the tetrahydropyranoid six-membered ring is thermodynamically controlled. This is in accordance with previous experimental findings.

2,3,5-Substituted tetrahydrofurans: COX-2 inhibitory activities of 5-hydroxymethyl-/carboxyl-2,3-diaryl-tetrahydro-furan-3-ols.

PubMed

Singh, Palwinder; Mittal, Anu; Kaur, Satwinderjeet; Kumar, Subodh

2008-12-01

5-Hydroxymethyl-/carboxyl-2,3-diaryl-tetrahydro-furan-3-ols have been investigated for their COX-1 and COX-2 inhibitory activities. Compounds 17, 18 and 20 have been identified as showing appreciable COX-2 inhibition and selectivity. The group present at C-5 of tetrahydrofuran and the substituents at the two phenyl rings, through their interactions with active site amino acid residues, significantly affect the activities of these molecules. The quantitative structure-activity relationship studies indicate the role of logP, TPSA, molecular connectivity and valence connectivity towards the activities of these molecules.

Investigation of terpinen-4-ol effects on vascular smooth muscle relaxation.

PubMed

Maia-Joca, Rebeca Peres Moreno; Joca, Humberto Cavalcante; Ribeiro, Francisca Jéssica Penha; do Nascimento, Renata Vieira; Silva-Alves, Kerly Shamyra; Cruz, Jader S; Coelho-de-Souza, Andrelina Noronha; Leal-Cardoso, José Henrique

2014-10-12

This study investigated the mechanisms underlying the vascular effects of terpinen-4-ol in isolated rat aortic ring preparations. The thoracic aortae of healthy rats were submitted to isometric tension recording. Membrane resting potential and input membrane resistance were measured by conventional microelectrode technique. Terpinen-4-ol reversibly relaxed endothelium-containing preparations pre-contracted with high K(+) and phenylephrine with IC50 values of 421.43 μM and 802.50 μM, respectively. These effects were significantly reduced by vascular endothelium removal. In Ca(2+)-free and high K(+) (80 mM) medium, the contractions produced by Ba(2+) were reduced by terpinen-4-ol (100-1000 μM) in a concentration-dependent manner. In aortic rings maintained under Ca(2+)-free conditions, terpinen-4-ol significantly reduced the contractions induced by either phenylephrine (1 μM) or phorbol 12,13-dibutyrate (1 μM). Terpinen-4-ol (10-1000 μM) also relaxed the contractions evoked by BAYK-8644 (3 μM) with an IC50 of 454.23 μM. Neither membrane resting potential nor input resistance of smooth muscle cells was altered by terpinen-4-ol exposure. The present results suggest that terpinen-4-ol induced vascular smooth muscle relaxation that was preferentially due to the inhibition of electromechanical pathways related to calcium influx through voltage-operated calcium channels. Copyright © 2014 Elsevier Inc. All rights reserved.

New phenylpropanoid-substituted flavan-3-ols and flavonols from the leaves of Uncaria rhynchophylla.

PubMed

Li, Ruxin; Cheng, Jintang; Jiao, Mengjiao; Li, Li; Guo, Cong; Chen, Sha; Liu, An

2017-01-01

Uncariols A (1) and B (2), two new phenylpropanoid-substituted flavan-3-ols, and (±)-uncariols C (3a/3b) and D (4a/4b), two pairs of new phenylpropanoid-substituted flavonol enantiomers, together with nine known compounds (5-13), were isolated from the leaves of Uncaria rhynchophylla. The structures of 1-4 were established primarily by NMR and HRESIMS experiments. The absolute configurations of the new ones were deduced via the circular dichroism (CD) and quantum chemical calculations of the electronic circular dichroic (ECD) spectra. In addition, all of the isolated compounds showed potent antioxidant activity in the DPPH radical scavenging test. Copyright © 2016. Published by Elsevier B.V.

Near infra-red characterization of changes in flavan-3-ol derivatives in cocoa (Theobroma cacao L.) as a function of fermentation temperature.

PubMed

Hue, Clotilde; Brat, Pierre; Gunata, Ziya; Samaniego, Ivan; Servent, Adrien; Morel, Gilles; Kapitan, André; Boulanger, Renaud; Davrieux, Fabrice

2014-10-15

Flavan-3-ols were successfully extracted from cocoa by the Fast-Prep device and analyzed by HPLC-DAD, and their identifications were confirmed by injection of authentic standards. (-)-Epicatechin was the most abundant component with an average of 9.4 mg/g dried cocoa powder. More than 700 cocoa samples were used to calibrate the NIRS. An efficient calibration model was developed to accurately determine any flavan-3-ol compound of ground dried cocoa beans (SEP = 2.33 mg/g in the case of total flavan-3-ols). This performance enabled NIRS to be used as an efficient and easy-to-use tool for estimating the level of targeted compounds. The analysis of the PLS loadings of the model and pure epicatechin spectra gave proof that NIRS was calibrated on an indirect strong correlation resulting in the changes in flavan-3-ols during fermentation and their interaction with some major components, such as proteins. Total flavan-3-ol concentration fell from an average of 33.3 mg/g for unfermented samples to an average of 6.2 mg/g at the end of fermentation. Changes in flavan-3-ol content were dependent upon the origin and highly correlated to the fermentation level expressed as the sum of temperatures (average R(2) = 0.74), a good marker of the fermentation process and of the heterogeneity of the batch.

Effects of chocolate, cocoa, and flavan-3-ols on cardiovascular health: a systematic review and meta-analysis of randomized trials.

PubMed

Hooper, Lee; Kay, Colin; Abdelhamid, Asmaa; Kroon, Paul A; Cohn, Jeffrey S; Rimm, Eric B; Cassidy, Aedín

2012-03-01

There is substantial interest in chocolate and flavan-3-ols for the prevention of cardiovascular disease (CVD). The objective was to systematically review the effects of chocolate, cocoa, and flavan-3-ols on major CVD risk factors. We searched Medline, EMBASE, and Cochrane databases for randomized controlled trials (RCTs) of chocolate, cocoa, or flavan-3-ols. We contacted authors for additional data and conducted duplicate assessment of study inclusion, data extraction, validity, and random-effects meta-analyses. We included 42 acute or short-term chronic (≤18 wk) RCTs that comprised 1297 participants. Insulin resistance (HOMA-IR: -0.67; 95% CI: -0.98, -0.36) was improved by chocolate or cocoa due to significant reductions in serum insulin. Flow-mediated dilatation (FMD) improved after chronic (1.34%; 95% CI: 1.00%, 1.68%) and acute (3.19%; 95% CI: 2.04%, 4.33%) intakes. Effects on HOMA-IR and FMD remained stable to sensitivity analyses. We observed reductions in diastolic blood pressure (BP; -1.60 mm Hg; 95% CI: -2.77, -0.43 mm Hg) and mean arterial pressure (-1.64 mm Hg; 95% CI: -3.27, -0.01 mm Hg) and marginally significant effects on LDL (-0.07 mmol/L; 95% CI: -0.13, 0.00 mmol/L) and HDL (0.03 mmol/L; 95% CI: 0.00, 0.06 mmol/L) cholesterol. Chocolate or cocoa improved FMD regardless of the dose consumed, whereas doses >50 mg epicatechin/d resulted in greater effects on systolic and diastolic BP. GRADE (Grading of Recommendations, Assessment, Development and Evaluation, a tool to assess quality of evidence and strength of recommendations) suggested low- to moderate-quality evidence of beneficial effects, with no suggestion of negative effects. The strength of evidence was lowered due to unclear reporting for allocation concealment, dropouts, missing data on outcomes, and heterogeneity in biomarker results in some studies. We found consistent acute and chronic benefits of chocolate or cocoa on FMD and previously unreported promising effects on insulin and HOMA

(-)-Catechin in cocoa and chocolate: occurrence and analysis of an atypical flavan-3-ol enantiomer.

PubMed

Kofink, Michael; Papagiannopoulos, Menelaos; Galensa, Rudolf

2007-07-04

Cocoa contains high levels of different flavonoids. In the present study, the enantioseparation of catechin and epicatechin in cocoa and cocoa products by chiral capillary electrophoresis (CCE) was performed. A baseline separation of the catechin and epicatechin enantiomers was achieved by using 0.1 mol x L(-1) borate buffer (pH 8.5) with 12 mmol x L(-1) (2-hydroxypropyl)-gamma-cyclodextrin as chiral selector, a fused-silica capillary with 50 cm effective length (75 microm I.D.), +18 kV applied voltage, a temperature of 20 degrees C and direct UV detection at 280 nm. To avoid comigration or coelution of other similar substances, the flavan-3-ols were isolated and purified using polyamide-solid-phase-extraction and LC-MS analysis. As expected, we found (-)-epicatechin and (+)-catechin in unfermented, dried, unroasted cocoa beans. In contrast, roasted cocoa beans and cocoa products additionally contained the atypical flavan-3-ol (-)-catechin. This is generally formed during the manufacturing process by an epimerization which converts (-)-epicatechin to its epimer (-)-catechin. High temperatures during the cocoa bean roasting process and particularly the alkalization of the cocoa powder are the main factors inducing the epimerization reaction. In addition to the analysis of cocoa and cocoa products, peak ratios were calculated for a better differentiation of the cocoa products.

24-Methylenelanost-9(11)-en-3beta-ol, new triterpene alcohol from shea butter.

PubMed

Itoh, T; Tamura, T; Matsumoto, T

1975-08-01

A new triterpene alcohol was isolated fron shea butter and its structure was shown to be 24-methylenelanost-9(11)-en-3beta-ol. Gas chromatographic correlations between this triterpene alcohol and other related compounds are discussed.

Correlation between the pattern volatiles and the overall aroma of wild edible mushrooms.

PubMed

de Pinho, P Guedes; Ribeiro, Bárbara; Gonçalves, Rui F; Baptista, Paula; Valentão, Patrícia; Seabra, Rosa M; Andrade, Paula B

2008-03-12

Volatile and semivolatile components of 11 wild edible mushrooms, Suillus bellini, Suillus luteus, Suillus granulatus, Tricholomopsis rutilans, Hygrophorus agathosmus, Amanita rubescens, Russula cyanoxantha, Boletus edulis, Tricholoma equestre, Fistulina hepatica, and Cantharellus cibarius, were determined by headspace solid-phase microextraction (HS-SPME) and by liquid extraction combined with gas chromatography-mass spectrometry (GC-MS). Fifty volatiles and nonvolatiles components were formally identified and 13 others were tentatively identified. Using sensorial analysis, the descriptors "mushroomlike", "farm-feed", "floral", "honeylike", "hay-herb", and "nutty" were obtained. A correlation between sensory descriptors and volatiles was observed by applying multivariate analysis (principal component analysis and agglomerative hierarchic cluster analysis) to the sensorial and chemical data. The studied edible mushrooms can be divided in three groups. One of them is rich in C8 derivatives, such as 3-octanol, 1-octen-3-ol, trans-2-octen-1-ol, 3-octanone, and 1-octen-3-one; another one is rich in terpenic volatile compounds; and the last one is rich in methional. The presence and contents of these compounds give a considerable contribution to the sensory characteristics of the analyzed species.

Canopy Level Emissions of 2-methyl-3-buten-2-ol, monoterpenes, and sesquiterpenes from a Pinus taeda Experimental Plantation

EPA Science Inventory

Emissions of biogenic volatile organic compounds (BVOC) observed during 2007 from a Pinus taeda experimental plantation in Central North Carolina are compared with model estimates from MEGAN 2.1. Relaxed Eddy Accumulation (REA) estimates of 2-methyl-3-buten-2-ol (MBO) fluxes are ...

Updated bioavailability and 48 h excretion profile of flavan-3-ols from green tea in humans.

PubMed

Calani, Luca; Del Rio, Daniele; Luisa Callegari, Maria; Morelli, Lorenzo; Brighenti, Furio

2012-08-01

Green tea is a popular beverage, prepared with infusion of unfermented dried leaves of Camellia sinensis, and is one of the most relevant sources of polyphenolic compounds in the human diet. This study reports green tea flavan-3-ol absorption, metabolism and complete urinary excretion up to 48 h in 20 healthy volunteers. Urinary and tea samples were analysed by high-performance liquid chromatography coupled with tandem mass spectrometry. Green tea contained monomeric flavan-3-ols and proanthocyanidins with a total polyphenol content of 728 μmol. A total of 41 metabolites were identified in urines, all present in conjugated forms. Among these, six colonic metabolites of green tea flavan-3-ols were identified for the first time after green tea consumption in humans. The average 48 h bioavailability was close to 62%, major contributors being microbial metabolites. Some volunteer showed a 100% absorption/excretion, whereas some others were unable to efficiently absorb/excrete this class of flavonoids. This suggests that colonic ring fission metabolism could be relevant in the putative bioactivity of green tea polyphenols.

Flavan-3-ol-enriched dark chocolate and white chocolate improve acute measures of platelet function in a gender-specific way--a randomized-controlled human intervention trial.

PubMed

Ostertag, Luisa M; Kroon, Paul A; Wood, Sharon; Horgan, Graham W; Cienfuegos-Jovellanos, Elena; Saha, Shikha; Duthie, Garry G; de Roos, Baukje

2013-02-01

We examined whether flavan-3-ol-enriched dark chocolate, compared with standard dark and white chocolate, beneficially affects platelet function in healthy subjects, and whether this relates to flavan-3-ol bioavailability. A total of 42 healthy subjects received an acute dose of flavan-3-ol-enriched dark, standard dark or white chocolate, in random order. Blood and urine samples were obtained just before and 2 and 6 h after consumption for measurements of platelet function, and bioavailability and excretion of flavan-3-ols. Flavan-3-ol-enriched dark chocolate significantly decreased adenosine diphosphate-induced platelet aggregation and P-selectin expression in men (all p ≤ 0.020), decreased thrombin receptor-activating peptide-induced platelet aggregation and increased thrombin receptor-activating peptide-induced fibrinogen binding in women (both p ≤ 0.041), and increased collagen/epinephrine-induced ex vivo bleeding time in men and women (p ≤ 0.042). White chocolate significantly decreased adenosine diphosphate-induced platelet P-selectin expression (p = 0.002) and increased collagen/epinephrine-induced ex vivo bleeding time (p = 0.042) in men only. Differences in efficacy by which flavan-3-ols affect platelet function were only partially explained by concentrations of flavan-3-ols and their metabolites in plasma or urine. Flavan-3-ols in dark chocolate, but also compounds in white chocolate, can improve platelet function, dependent on gender, and may thus beneficially affect atherogenesis. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Flavan-3-ols, theobromine, and the effects of cocoa and chocolate on cardiometabolic risk factors.

PubMed

Berends, Lindsey M; van der Velpen, Vera; Cassidy, Aedin

2015-02-01

Although there is growing interest surrounding the potential health benefits of cocoa and chocolate, the relative contribution of bioactive constituents for these effects remains unclear. This review summarizes the recent research on the cardiometabolic effects of cocoa and chocolate with a focus on two key constituents: flavan-3-ols and theobromine. Recent meta-analyses suggest beneficial cardiometabolic effects of chocolate following short-term intake, including improvements in flow-mediated dilatation, blood pressure, lipoprotein levels and biomarkers of insulin resistance. Flavan-3-ols may play a role, but it is currently unclear which specific compounds or metabolites are key. Theobromine has also been shown to improve lipoprotein levels in trials, although these findings need verification at habitual intake levels. Longer term dose-response randomized controlled trials are required to determine the sustainability of the short-term effects and the optimal dose. Quantifying levels of bioactives in intervention products and their metabolites in biological samples will facilitate the assessment of their relative impact and the underlying mechanisms of action. Promising data support the beneficial cardiometabolic effects of cocoa and chocolate intake, with significant interest in the flavan-3-ol and theobromine content. Validated biomarkers of intake together with more relevant mechanistic insights from experimental models using physiologically relevant concentrations and metabolites will continue to inform this research field.

Microwave Assisted Enzymatic Kinetic Resolution of (±)-1-Phenyl-2-propyn-1-ol in Nonaqueous Media

PubMed Central

Devendran, Saravanan; Yadav, Ganapati D.

2014-01-01

Kinetic resolution of 1-phenyl-2-propyn-1-ol, an important chiral synthon, was studied through trans-esterification with acyl acetate to investigate synergism between microwave irradiation and enzyme catalysis. Lipases from different microbial origins were employed for the kinetic resolution of (R/S)-1-phenyl-2-propyn-1-ol, among which Candida antarctica lipase B, immobilized on acrylic resin (Novozym 435), was found to be the best catalyst in n-hexane as solvent. Vinyl acetate was the most effective among different acyl esters studied. The effect of various parameters was studied in a systematic manner. Definite synergism between microwave and enzyme was observed. The initial rate was improved around 1.28 times under microwave irradiation than conventional heating. Under optimum conditions, maximum conversion (48.78%) and high enantiomeric excess (93.25%) were obtained in 2 h. From modeling studies, it is concluded that the reaction follows the Ping-Pong bi-bi mechanism with dead end alcohol inhibition. Kinetic parameters were obtained by using nonlinear regression. This process is green, clean, and easily scalable as compared to the chemical process. PMID:24707487

Selective hydrogenation of 2-methyl-3-butyn-2-ol catalyzed by embedded polymer-protected PdZn nanoparticles

NASA Astrophysics Data System (ADS)

Okhlopkova, Lyudmila B.; Matus, Ekaterina V.; Prosvirin, Igor P.; Kerzhentsev, Michail A.; Ismagilov, Zinfer R.

2015-12-01

PdZn/TiO2 catalysts were synthesized by sol-gel method using a template Pluronic F127. PdZn nanoparticles with the size ranging from 1.7 to 2 nm were prepared by ethylene glycol reduction of ZnCl2 and Pd(CH3COO)2 in the presence of stabilizer and introduced into the matrix by addition into TiO2 sol, followed by different activation procedures. The structure, particles size, and chemical composition of nanoparticles and catalysts were characterized by transmission electron microscopy, X-ray photoelectron spectroscopy, X-ray fluorescence spectroscopy, and energy dispersive spectroscopy. The prepared catalysts have been tested in the selective hydrogenation of 2-methyl-3-butyn-2-ol, and the results have been compared with catalysts prepared by conventional impregnation. The results indicate that bimetallic PdZn nanoparticles-based catalysts show higher selectivity than corresponding monometallic Pd/TiO2. Embedded on titania, bimetallic nanoparticles stabilized with polyvinylpyrrolidone exhibit good activity (1.1-1.8 mol MBY/mol Pd/s-1) and high selectivity to 2-methyl-3-buten-2-ol (81.5-88.9 % at 95 % conversion). The influence of the nature of the stabilizer, the stabilizer/metal molar ratio, and activation conditions on the catalytic behavior of the samples was analyzed. It is shown that the particle size does not significantly affect the catalytic properties in the range of 4.4-6.5 nm. The nature and amount of stabilizer seem to be crucial to prepare efficient catalyst.

Inter-individual variability in the production of flavan-3-ol colonic metabolites: preliminary elucidation of urinary metabotypes.

PubMed

Mena, Pedro; Ludwig, Iziar A; Tomatis, Virginia B; Acharjee, Animesh; Calani, Luca; Rosi, Alice; Brighenti, Furio; Ray, Sumantra; Griffin, Julian L; Bluck, Les J; Del Rio, Daniele

2018-04-03

There is much information on the bioavailability of (poly)phenolic compounds following acute intake of various foods. However, there are only limited data on the effects of repeated and combined exposure to specific (poly)phenol food sources and the inter-individual variability in their bioavailability. This study evaluated the combined urinary excretion of (poly)phenols from green tea and coffee following daily consumption by healthy subjects in free-living conditions. The inter-individual variability in the production of phenolic metabolites was also investigated. Eleven participants consumed both tablets of green tea and green coffee bean extracts daily for 8 weeks and 24-h urine was collected on five different occasions. The urinary profile of phenolic metabolites and a set of multivariate statistical tests were used to investigate the putative existence of characteristic metabotypes in the production of flavan-3-ol microbial metabolites. (Poly)phenolic compounds in the green tea and green coffee bean extracts were absorbed and excreted after simultaneous consumption, with green tea resulting in more inter-individual variability in urinary excretion of phenolic metabolites. Three metabotypes in the production of flavan-3-ol microbial metabolites were tentatively defined, characterized by the excretion of different amounts of trihydroxyphenyl-γ-valerolactones, dihydroxyphenyl-γ-valerolactones, and hydroxyphenylpropionic acids. The selective production of microbiota-derived metabolites from flavan-3-ols and the putative existence of characteristic metabotypes in their production represent an important development in the study of the bioavailability of plant bioactives. These observations will contribute to better understand the health effects and individual differences associated with consumption of flavan-3-ols, arguably the main class of flavonoids in the human diet.

Canopy Level Emissions of 2-methyl-3-buten-2-ol ...

EPA Pesticide Factsheets

Emissions of biogenic volatile organic compounds (BVOC) observed during 2007 from a Pinus taeda experimental plantation in Central North Carolina are compared with model estimates from MEGAN 2.1. Relaxed Eddy Accumulation (REA) estimates of 2-methyl-3-buten-2-ol (MBO) fluxes are a factor of 3-4 higher than model estimates. MEGAN2.1 monoterpene emission estimates were approximately a factor of two higher than REA flux measurements. MEGAN2.1 β-caryophyllene emission estimates were within 60% of growing season REA flux estimates, but were several times higher than REA fluxes during cooler, dormant season periods. The sum of other sesquiterpene emissions estimated by MEGAN2.1 was several times higher than REA estimates throughout the year. Model components are examined to understand these discrepancies. Summertime LAI (and therefore foliar biomass) is a factor of two higher than assumed in MEGAN for the Pinus taeda default. Increasing the canopy mean MBO emission factor from 0.35 to 1.0 mg m-2 hr-1 also reduces MEGAN2.1 vs flux differences. This increase is within current emission factor uncertainties. The algorithm within MEGAN which adjusts isoprene emission estimates as a function of the previous 24 hour’s temperatures and light seems to also improve seasonal MEGAN MBO correlation with REA fluxes. Including the effects of the previous 240 hours, however, seems to degrade temporal model correlation with fluxes. This paper describes an emission inventory and mod

A new C12 alcohol identified as a sex pheromone and a trail-following pheromone in termites: the diene (Z,Z)-dodeca-3,6-dien-1-ol.

PubMed

Robert, Alain; Peppuy, Alexis; Sémon, Etienne; Boyer, François D; Lacey, Michael J; Bordereau, Christian

2004-01-01

The diunsaturated C12 alcohol (Z,Z)-dodeca-3,6-dien-1-ol (dodecadienol) has been characterized by GC-MS and FTIR as a novel releaser pheromone in termites. This alcohol identified in Ancistrotermes pakistanicus (Termitidae, Macrotermitinae) possesses a double pheromonal function which again illustrates the chemical parsimony of termites compared with other social insects. In workers, dodecadienol elicits trail-following at a very low concentration (activity threshold at 0.1 pg/cm of trail); in male alates it induces trail-following at a low concentration (1-10 pg/cm) and sexual attraction at a higher concentration (about 1 ng). Traces of the monounsaturated C12 alcohol (Z)-dodec-3-en-1-ol (dodecenol), known as a trail pheromone of several Macrotermitinae, were also found in the sternal gland extracts of A. pakistanicus, although only dodecadienol was present at the surface of the sternal gland. Workers of A. pakistanicus are not sensitive to dodecenol, but they are as sensitive to dodecatrienol as to dodecadienol. However, in the study area (Vietnam), A. pakistanicus is living in sympatry only with those Macrotermitinae using dodecenol as a trail pheromone, the foraging populations therefore being well isolated through their respective trail pheromones. The presence of three types of unsaturated C12 alcohols as releaser pheromones in the only Macrotermitinae subfamily is discussed, and a possible biosynthetic pathway from linoleic acid is proposed for dodecadienol.

5α-Androst-16-en-3α-ol β-D-glucuronide, precursor of 5α-androst-16-en-3α-ol in human sweat.

PubMed

Starkenmann, Christian; Mayenzet, Fabienne; Brauchli, Robert; Troccaz, Myriam

2013-12-01

5α-Androst-16-en-3α-ol (α-androstenol) is an important contributor to human axilla sweat odor. It is assumed that α-andostenol is excreted from the apocrine glands via a H2 O-soluble conjugate, and this precursor was formally characterized in this study for the first time in human sweat. The possible H2 O-soluble precursors, sulfate and glucuronide derivatives, were synthesized as analytical standards, i.e., α-androstenol, β-androstenol sulfates, 5α-androsta-5,16-dien-3β-ol (β-androstadienol) sulfate, α-androstenol β-glucuronide, α-androstenol α-glucuronide, β-androstadienol β-glucuronide, and α-androstenol β-glucuronide furanose. The occurrence of α-androstenol β-glucuronide was established by ultra performance liquid chromatography (UPLC)/MS (heated electrospray ionization (HESI)) in negative-ion mode in pooled human sweat, containing eccrine and apocrine secretions and collected from 25 female and 24 male underarms. Its concentration was of 79 ng/ml in female secretions and 241 ng/ml in male secretions. The release of α-androstenol was observed after incubation of the sterile human sweat or α-androstenol β-glucuronide with a commercial glucuronidase enzyme, the urine-isolated bacteria Streptococcus agalactiae, and the skin bacteria Staphylococcus warneri DSM 20316, Staphylococcus haemolyticus DSM 20263, and Propionibacterium acnes ATCC 6919, reported to have β-glucuronidase activities. We demonstrated that if α- and β-androstenols and androstadienol sulfates were present in human sweat, their concentrations would be too low to be considered as potential precursors of malodors; therefore, the H2 O-soluble precursor of α-androstenol in apocrine secretion should be a β-glucuronide. Copyright © 2013 Verlag Helvetica Chimica Acta AG, Zürich.

Synthesis and biological characterization of (3R,4R)-4-(2-(benzhydryloxy)ethyl)-1-((R)-2-hydroxy-2-phenylethyl)-piperidin-3-ol and its stereoisomers for activity toward monoamine transporters.

PubMed

Kharkar, Prashant S; Batman, Angela M; Zhen, Juan; Beardsley, Patrick M; Reith, Maarten E A; Dutta, Aloke K

2009-07-01

A novel series of optically active molecules based on a 4-(2-(benzhydryloxy)ethyl)-1-((R)-2-hydroxy-2-phenylethyl)-piperidin-3-ol template were developed. Depending on stereochemistry, the compounds exhibit various degrees of affinity for three dopamine, serotonin, and norepinephrine transporters. These molecules have the potential for treating several neurological disorders such as drug abuse, depression, and attention deficit hyperactivity disorder.Herein we describe the synthesis and biological evaluation of a series of asymmetric 4-(2-(benzhydryloxy)ethyl)-1-((R)-2-hydroxy-2-phenylethyl)-piperidin-3-ol-based dihydroxy compounds in which the hydroxy groups are located on both the piperidine ring and the N-phenylethyl side chain. In vitro uptake inhibition data of these molecules indicate high affinity for the dopamine transporter (DAT) in addition to moderate to high affinity for the norepinephrine transporter (NET). Interestingly, compounds 9 b and 9 d exhibit affinities for all three monoamine transporters, with highest potency at DAT and NET, and moderate potency at the serotonin transporter (SERT) (K(i): 2.29, 78.4, and 155 nM for 9 b and 1.55, 14.1, and 259 nM for 9 d, respectively). Selected compounds 9 a, 9 d, and 9 d' were tested for their locomotor activity effects in mice and for their ability to occasion the cocaine-discriminative stimulus in rats. These test compounds generally exhibit a much longer duration of action than cocaine for elevating locomotor activity, and completely generalize the cocaine-discriminative stimulus in a dose-dependent manner.

Determination of (13)C/(12)C ratios of urinary excreted boldenone and its main metabolite 5beta-androst-1-en-17beta-ol-3-one.

PubMed

Piper, Thomas; Geyer, Hans; Gougoulidis, Vassilios; Flenker, Ulrich; Schänzer, Wilhelm

2010-05-01

Boldenone (androsta-1,4-dien-17beta-ol-3-one, Bo) is an anabolic steroid known to have been used in cattle breeding or equine sport as a doping agent for many years. Although not clinically approved for human application, Bo or its main metabolite 5beta-androst-1-en-17beta-ol-3-one (BM1) were detected in several doping control samples. For more than 15 years the possibility of endogenous Bo production in human beings has been discussed. This is a challenging issue for doping control laboratories as Bo belongs to the list of prohibited substances of the World Anti-Doping Agency and therefore the chance for false positive testing is significant. By GC/C/IRMS (gas chromatography/combustion/isotope ratio mass spectrometry) it should be possible to analyze the (13)C/(12)C ratio of either Bo or BM1 and to distinguish whether their source is endogenous or exogenous. Therefore a method was developed to determine the (13)C/(12)C ratios of Bo, BM1, pregnanediol, androsterone, etiocholanolone, and testosterone from a single urine specimen. The validity of the method was ensured by repeated processing of urine fortified with 2-50 ng/mL Bo and BM1. The specificity of the method was ensured by gas chromatography/mass spectrometry determinations. Out of 23 samples investigated throughout the last four years, 11 showed (13)C/(12)C ratios of Bo or BM1 inconsistent with an exogenous origin. Two of these samples were collected from the same athlete within a one-month interval, strongly indicating the chance of endogenous Bo production by this athlete.

100-OL-1 Operable Unit Pilot Study: XRF Evaluation of Select Pre-Hanford Orchards

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bunn, Amoret L.; Fritz, Brad G.; Pulsipher, Brent A.

Prior to the acquisition of land by the U.S. Department of War in February 1943 and the creation of the Hanford Site, the land along the Columbia River was home to over 1000 people. Farming and orchard operations by both homesteaders and commercial organizations were prevalent. Orchard activities and the associated application of lead arsenate pesticide ceased in 1943, when residents were moved from the Hanford Site at the beginning of the Manhattan Project. Today, the residues from historical application of lead arsenate pesticide persist in some locations on the Hanford Site. In 2012, the U.S. Department of Energy, U.S.more » Environmental Protection Agency, and Washington State Department of Ecology established the 100-OL-1 Operable Unit (OU) through the Hanford Federal Facility Agreement and Consent Order, known as the Tri-Party Agreement. The pre-Hanford orchard lands identified as the 100-OL-1 OU are located south of the Columbia River and east of the present-day Vernita Bridge, and extend southeast to the former Hanford townsite. The discontinuous orchard lands within 100-OL-1 OU are approximately 20 km2 (5000 ac). A pilot study was conducted to support the approval of the remedial investigation/feasibility study work plan to evaluate the 100-OL-1 OU. This pilot study evaluated the use of a field portable X-ray fluorescence (XRF) analyzer for evaluating lead and arsenic concentrations on the soil surface as an indicator of lead arsenate pesticide residues in the OU. The objectives of the pilot study included evaluating a field portable XRF analyzer as the analytical method for decision making, estimating the nature and extent of lead and arsenic in surface soils in four decision units, evaluating the results for the purpose of optimizing the sampling approach implemented in the remedial investigation, and collecting information to improve the cost estimate and planning the cultural resources review for sampling activities in the remedial investigation

Biological effects of 2,4-pentadiene-1-ol.

PubMed

Benesová, O; Sprincl, L; Ulbrich, K; Obereigner, B; Drobník, J; Kálal, J; Kopecek

1977-07-01

The biological effects of 2,4-pentadiene-1-ol (CH2 = CH--CH = CH--CH2--OH) the starting monomer in the preparation of a biocompatible polymer were studied. The experiments in rats revealed both a high local (oedema, necrosis) and systemic toxicity. Within 5-10 min after dermal application of 0.2 ml the compound evoked intensive hyperaemia of acral parts (ears, snout, paws) and induced severe breathing difficulties which led to death in half of the animals after a single administration. The most evident macroscopic and microscopic pathologic changes were found in the place of application and in the lungs (haemorrhage in alveolae). Both clinical and histological findings indicated that the toxicity is due to an increased permeability of capillaries.

A new flavone xyloside and two new flavan-3-ol glucosides from Juniperus communis var. depressa.

PubMed

Iida, Naoki; Inatomi, Yuka; Murata, Hiroko; Inada, Akira; Murata, Jin; Lang, Frank A; Matsuura, Nobuyasu; Nakanishi, Tsutomu

2007-01-01

A new flavone xyloside, 1, and two new flavan-3-ol glucosides, 3 and 4, were isolated together with three known flavones, 2, 11, and 12, five known flavans, 5-9, and a known dihydrochalcone, 10, from the stems and leaves of Juniperus communis var. depressa (Cupressaceae) collected in Oregon, U.S.A., and their structures were determined on the basis of spectral evidence. A novel flavone nucleus such as that in 1 is seldom found in nature today, and new methylcatechin glucosides 3 and 4 are also rare in nature. In addition, we investigated the inhibitory activity of individual components, i.e., 8-11, and others, that were abundantly isolated from the same plant material for the Maillard reaction.

Ocular Hypotensive Response in Nonhuman Primates of (8R)-1-[(2S)-2-Aminopropyl]-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-ol a Selective 5-HT2 Receptor Agonist.

PubMed

May, Jesse A; Sharif, Najam A; McLaughlin, Marsha A; Chen, Hwang-Hsing; Severns, Bryon S; Kelly, Curtis R; Holt, William F; Young, Richard; Glennon, Richard A; Hellberg, Mark R; Dean, Thomas R

2015-11-25

Recently, it has been reported that 5-HT2 receptor agonists effectively reduce intraocular pressure (IOP) in a nonhuman primate model of glaucoma. Although 1-[(2S)-2-aminopropyl]indazol-6-ol (AL-34662) was shown to have good efficacy in this nonhuman primate model of ocular hypertension as well as a desirable physicochemical and permeability profile, subsequently identified cardiovascular side effects in multiple species precluded further clinical evaluation of this compound. Herein, we report selected structural modifications that resulted in the identification of (8R)-1-[(2S)-2-aminopropyl]-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-ol (13), which displayed an acceptable profile to support advancement for further preclinical evaluation as a candidate for proof-of-concept studies in humans.

4-Arylflavan-3-ols as Proanthocyanidin Models: Absolute Configuration via Density Functional Calculation of Electronic Circular Dichroism

USDA-ARS?s Scientific Manuscript database

Density functional theory/B3LYP has been employed to optimize the conformations of selected 4-arylflavan-3-ols and their phenolic methyl ether 3-O-acetates. The electronic circular dichroism spectra of the major conformers have been calculated using time-dependent density functional theory to valida...

Chemical characterization of organosulfates from the hydroxyl radical-initiated oxidation and ozonolysis of cis-3-hexen-1-ol

NASA Astrophysics Data System (ADS)

Barbosa, Thais S.; Riva, Matthieu; Chen, Yuzhi; da Silva, Cleyton M.; Ameida, Jose Claudino S.; Zhang, Zhenfa; Gold, Avram; Arbilla, Graciela; Bauerfeldt, Glauco F.; Surratt, Jason D.

2017-08-01

Cis-3-hexen-1-ol (cis-HXO) is a green leaf volatile emitted from plants under stress and belongs to an important class of biogenic volatile organic compounds. In this study, we have investigated the potential formation of organosulfates (OSs) from the hydroxyl radical (OH)-initiated oxidation and ozonolysis of cis-HXO using either non-acidified or acidified sulfate seed aerosols under different relative humidity (RH) conditions. For selected ozonolysis experiments, an OH scavenger was utilized. Ultra performance liquid chromatography interfaced to high-resolution quadrupole time-of-flight mass spectrometry with electrospray ionization (UPLC/ESI-HR-Q-TOFMS) was used to characterize cis-HXO-derived secondary organic aerosol (SOA) formation. Chemical characterization of cis-HXO-derived SOA products reveals that OSs were generated in significant quantity from multiphase chemistry of gas-phase oxidation products of cis-HXO. Ambient fine aerosol (PM2.5) samples collected from Rio de Janeiro, Brazil, were also analyzed. Seven cis-HXO-derived OSs identified in the lab study with molecular weights 154, 186, 170, 210, 212, 226 and 270 were also found in the PM2.5 samples collected in Brazil. This study provides direct evidence that the oxidation of cis-HXO by OH and O3 yields biogenic SOA through the formation of polar OSs.

40 CFR 721.10445 - 2-Propen-1-ol, reaction products with hydrogen sulfide, distn. residues.

Code of Federal Regulations, 2014 CFR

2014-07-01

... hydrogen sulfide, distn. residues. 721.10445 Section 721.10445 Protection of Environment ENVIRONMENTAL... hydrogen sulfide, distn. residues. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as 2-propen-1-ol, reaction products with hydrogen sulfide, distn...

40 CFR 721.10445 - 2-Propen-1-ol, reaction products with hydrogen sulfide, distn. residues.

Code of Federal Regulations, 2013 CFR

2013-07-01

... hydrogen sulfide, distn. residues. 721.10445 Section 721.10445 Protection of Environment ENVIRONMENTAL... hydrogen sulfide, distn. residues. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as 2-propen-1-ol, reaction products with hydrogen sulfide, distn...

EMISSION OF 2-METHYL-3-BUTEN-2-OL BY PINES: A POTENTIALLY LARGE NATURAL SOURCE OF REACTIVE CARBON TO THE ATMOSPHERE

EPA Science Inventory

High rates of emission of 2-methyl-3-buten-2-ol (MBO) were measured from needles of several pine species. Emissions of MBO in the light were 1 to 2 orders of magnitude higher than emissions of monoterpenes and, in contrast to monoterpene emissions from pines, were absent in the d...

Facile radiosynthesis of fluorine-18 labeled beta-blockers. Synthesis, radiolabeling, and ex vivo biodistribution of [18F]-(2S and 2R)-1-(1-fluoropropan-2-ylamino)-3-(m-tolyloxy)propan-2-ol.

PubMed

Stephenson, Karin A; Wilson, Alan A; Meyer, Jeffrey H; Houle, Sylvain; Vasdev, Neil

2008-08-28

An efficient and general method has been developed for fluorine-18 labeling of beta-blockers that possess the propanolamine moiety. A new synthetically versatile intermediate, 3-(1-(benzyloxy)propan-2-yl)-2-oxooxazolidin-5-yl)methyl 4-methylbenzenesulfonate (13), was prepared and can be conjugated to any phenoxy core. To demonstrate the synthetic methodology, fluorinated derivatives of toliprolol were prepared, namely, [(18)F]-(2S and 2R)-1-(1-fluoropropan-2-ylamino)-3-(m-tolyloxy)propan-2-ol ((2S and 2R)-[(18)F]1). The radiosyntheses were accomplished in <1 h, with 20-24% (uncorrected for decay, n = 7) radiochemical yields, >96% radiochemical and >99% enantiomeric purities, with specific activities of 0.9-1.1 Ci/micromol (EOS). Ex vivo biodistribution studies with the radiotracers demonstrated excessively rapid washout that may limit their use for cerebral PET imaging.

Two-dimensional aerodynamic characteristics of the OLS/TAAT airfoil

NASA Technical Reports Server (NTRS)

Watts, Michael E.; Cross, Jeffrey L.; Noonan, Kevin W.

1988-01-01

Two flight tests have been conducted that obtained extension pressure data on a modified AH-1G rotor system. These two tests, the Operational Loads Survey (OLS) and the Tip Aerodynamics and Acoustics Test (TAAT) used the same rotor set. In the analysis of these data bases, accurate 2-D airfoil data is invaluable, for not only does it allow comparison studies between 2- and 3-D flow, but also provides accurate tables of the airfoil characteristics for use in comprehensive rotorcraft analysis codes. To provide this 2-D data base, a model of the OLS/TAAT airfoil was tested over a Reynolds number range from 3 x 10 to the 6th to 7 x 10 to the 7th and between Mach numbers of 0.34 to 0.88 in the NASA Langley Research Center's 6- by 28-Inch Transonic Tunnel. The 2-D airfoil data is presented as chordwise pressure coefficient plots, as well as lift, drag, and pitching moment coefficient plots and tables.

New flavan-3-ol dimer from green tea produced from Camellia taliensis in the Ai-Lao mountains of Southwest China.

PubMed

Zhu, Li-Fang; Xu, Min; Zhu, Hong-Tao; Wang, Dong; Yang, Shi-Xiong; Yang, Chong-Ren; Zhang, Ying-Jun

2012-12-12

Camellia taliensis (W. W. Smith) Melchior, belonging to the genus Camellia sect. Thea (Theaceae), is an endemic species distributed from the west and southwest of Yunnan province, China, to the north of Myanmar. Known as a wild tea tree, its leaves have been used commonly for producing tea beverages by the local people of its growing area. One new flavan-3-ol dimer, talienbisflavan A (1), was isolated from green tea prepared from the leaves of C. taliensis collected from the east side of the Ai-Lao mountains, Yuanjiang county of Yunnan province, China. In addition, five hydrolyzable tannins (2-6), five flavonols and flavonol glycosides (9-13), three flavan-3-ols (14-16), nine simple phenolic compounds and glycosides (7, 8, and 17-23), and caffeine (24) were identified. Their structures were determined by detailed spectroscopic analysis. All of the isolated phenolic compounds were tested for their antioxidant activities by DPPH and ABTS(+) radical scavenging assays. The contents of its main chemical compositions were also compared with those collected from the Lincang area of Yunnan province by high-performance liquid chromatography analysis.

Phenyl-γ-valerolactones, flavan-3-ol colonic metabolites, protect brown adipocytes from oxidative stress without affecting their differentiation or function.

PubMed

Mele, Laura; Carobbio, Stefania; Brindani, Nicoletta; Curti, Claudio; Rodriguez-Cuenca, Sergio; Bidault, Guillaume; Mena, Pedro; Zanotti, Ilaria; Vacca, Michele; Vidal-Puig, Antonio; Del Rio, Daniele

2017-09-01

Consumption of products rich in flavan-3-ols, such as tea and cocoa, has been associated with decreased obesity, partially dependent on their capacity to enhance energy expenditure. Despite these phenolics having been reported to increase the thermogenic program in brown and white adipose tissue, flavan-3-ols are vastly metabolised in vivo to phenyl-γ-valerolactones. Therefore, we hypothesize that phenyl-γ-valerolactones may directly stimulate the differentiation and the activation of brown adipocytes. Immortalized brown pre-adipocytes were differentiated in presence of (R)-5-(3',4'-dihydroxyphenyl)-γ-valerolactone (VL1), (R)-5-(3´-hydroxyphenyl)-γ-valerolactone-4'-O-sulphate (VL2), (R)-5-phenyl-γ-valerolactone-3´,4´-di-O-sulphate (VL3), at concentrations of 2 or 10μM, whereas fully differentiated brown adipocyte were treated acutely (6-24h). None of the treatments regulated the expression levels of the uncouple protein 1, nor of the main transcription factors involved in brown adipogenesis. Similarly, mitochondrial content was unchanged after treatments. Moreover these compounds did not display peroxisome proliferator-activated receptor γ-agonist activity, as evaluated by luciferase assay, and did not enhance norepinephrine-stimulated lipolysis in mature adipocytes. However, both VL1 and VL2 prevented oxidative stress caused by H 2 O 2 . Phenyl-γ-valerolactones and their sulphated forms do not influence brown adipocyte development or function at physiological or supraphysiological doses in vitro, but they are active protecting brown adipocytes from increased reactive oxygen species production. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Influence of genetic and vintage factors in flavan-3-ol composition of grape seeds of a segregating Vitis vinifera population.

PubMed

Hernández, Maria M; Song, Shiren; Menéndez, Cristina M

2017-01-01

Flavan-3-ol compounds are important secondary metabolites which show high antioxidant activity and are responsible for bitterness and astringency of food products. The aim of this work was to evaluate the potential for selecting grape materials with higher seed flavanol content from a breeding population. The composition and content of flavan-3-ols from 151 genotypes obtained from crossing wine grape varieties was evaluated by UPLC in three consecutive years. Chromatograms of flavan-3-ol compounds showed the same 12 compounds for all samples, but quantitative differences were observed between genotypes as well as parental varieties. The most abundant compounds were (-)-epicatechin and (+)-catechin followed by proanthocyanidins A2 and B2. Progeny showed higher values than the parental genotypes for every detected compound indicating directional transgressive segregation. With these results genotypes with as much as five times more flavanols than their parents could be identified. The year effect was significant; however, high correlations between years for each compound indicated that there is a strong genetic component in the determination of flavanol content. Higher contents of seed flavan-3-ols can be obtained by hybridisation, and those genotypes could be used for extracting healthy phytochemicals, adding value to seeds as a sub-product in wine elaboration. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

Cloning and Expression Analysis of Phenylalanine Ammonia-Lyase Gene in the Mycelium and Fruit Body of the Edible Mushroom Flammulina velutipes

PubMed Central

Yun, Yeo Hong; Koo, Ja Sun

2015-01-01

Phenylalanine ammonia-lyase (PAL) gene is known to be expressed in plants, and is involved in the differentiation, growth and synthesis of secondary metabolites. However, its expression in fungi remains to be explored. To understand its expression in mushroom fungi, the PAL gene of the edible mushroom Flammulina velutipes (Fvpal) was cloned and characterized. The cloned Fvpal consists of 2,175 bp, coding for a polypeptide containing 724 amino acids and having 11 introns. The translated amino acid sequence of Fvpal shares a high identity (66%) with that of ectomycorrhizal fungus Tricholoma matsutake. Distinctively, the Fvpal expression in the mycelium was higher in minimal medium supplemented with L-tyrosine than with other aromatic amino acids. During cultivation of the mushroom on sawdust medium, Fvpal expression in the fruit body correspondingly increased as the mushroom grew. In the fruiting body, Fvpal was expressed more in the stipe than in the pileus. These results suggest that F. velutipes PAL activity differs in the different organs of the mushroom. Overall, this is first report to show that the PAL gene expression is associated with mushroom growth in fungi. PMID:26539050

Anti-Dermatophyte and Anti-Malassezia Activity of Extracts Rich in Polymeric Flavan-3-ols Obtained from Vitis vinifera Seeds.

PubMed

Simonetti, Giovanna; D'Auria, Felicia Diodata; Mulinacci, Nadia; Innocenti, Marzia; Antonacci, Donato; Angiolella, Letizia; Santamaria, Anna Rita; Valletta, Alessio; Donati, Livia; Pasqua, Gabriella

2017-01-01

Several human skin diseases are associated with fungi as dermatophytes and Malassezia. Skin mycoses are increasing and new alternatives to conventional treatments with improved efficacy and/or safety profiles are desirable. For the first time, the anti-dermatophytes and the anti-Malassezia activities of Vitis vinifera seed extracts obtained from different table and wine cultivars have been evaluated. Geometric minimal inhibitory concentration ranged from 20 to 97 µg/mL for dermatophytes and from 32 to 161 µg/mL for Malassezia furfur. Dried grape seed extracts analyzed by HPLC/DAD/ESI/MS showed different quali-quantitative compositions in terms of monomeric and polymeric flavan-3-ols. The minimal inhibitory concentrations for Trichophyton mentagrophytes and for M. furfur were inversely correlated with the amount of the polymeric fraction (r = -0.7639 and r = -0.7228, respectively). Differently, the antifungal activity against T. mentagrophytes was not correlated to the content of flavan-3-ol monomers (r = 0.2920) and only weakly correlated for M. furfur (r = -0.53604). These results suggest that extracts rich in polymeric flavan-3-ols, recovered from V.  vinifera seeds, could be used for the treatment of skin fungal infections. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

A facile synthesis of lanost-8-en-3 beta-ol-24-one (24-ketolanosterol). An inhibitor of 3-hydroxy-3-methylglutaryl coenzyme A reductase.

PubMed

Parish, E J; Honda, H; Chitrakorn, S; Taylor, F R

1988-10-01

A facile chemical synthesis of lanost-8-en-3 beta-ol-24-one (24-ketolanosterol) is described. This compound was found to be a potent inhibitor of 3-hydroxy-3-methylglutaryl (HMG) CoA reductase activity in cultured mouse L cells. The synthetic scheme developed in this study utilizes commercial lanosterol as a starting material and involves selective hydroboration of the C-24 double bond followed by oxidation of the carbon-boron bond at C-24 by pyridinium chlorochromate (PCC).

1,1,3,3-Tetramethylguanidine solvated lanthanide aryloxides: pre-catalysts for intramolecular hydroalkoxylation.

PubMed

Janini, Thomas E; Rakosi, Robert; Durr, Christopher B; Bertke, Jeffrey A; Bunge, Scott D

2009-12-21

The synthesis and structural characterization of six 1,1,3,3-tetramethylguanidine (H-TMG) solvated lanthanide aryloxide complexes are reported. Ln[N{Si(CH3)3}2]3 (Ln = Nd, La) was reacted with two equivalents of both H-TMG and HOAr {HOAr = HOC6H2(CMe3)2-2,6 (H-DBP) or HOC6H2(CMe3)2-2,6-CH3-4 (H-4MeDBP)} and one equivelent of ethanol (HOEt) to yield the corresponding [Nd(H-TMG)2(4MeDBP)2(OEt)] (1) and [La(H-TMG)2(DBP)2(OEt)] (2). Compounds 1 and 2 were further reacted with 4-pentyn-1-ol {HO(CH2)3C[triple bond]CH} to isolate [Nd(H-TMG)2(4MeDBP)2{O(CH2)3C[triple bond]CH}] (3) and [La(H-TMG)2(DBP)2{O(CH2)3C[triple bond]CH}] (4), respectively. Three equivalents of HOAr and one equivalent of H-TMG were additionally reacted with Ln[N{Si(CH3)3}2]3 to generate [Nd(4MeDBP)3(H-TMG)] (5) and [La(DBP)3(H-TMG)] (6). In order to examine the formation of 1-6, the interaction of H-TMG and HOAr was further examined in solution and the hydrogen bonded complexes (H-TMG:HOAr), 7 and 8, were isolated. Upon successful isolation of 1-6, the utility of 1, 2, 4 and 5 as pre-catalysts for the intramolecular hydroalkoxylation of 4-pentyn-1-ol was investigated. The bulk powders for all complexes were found to be in agreement with the crystal structures based on elemental analyses, FT-IR spectroscopy, and 1H and 13C NMR investigations.

40 CFR 721.9527 - Bis(1,2,2,6,6-pentamethyl-4-piperidin-4-ol) ester of cy-clo-ali-phatic spiroketal.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Bis(1,2,2,6,6-pentamethyl-4-piperidin-4-ol) ester of cy-clo-ali-phatic spiroketal. 721.9527 Section 721.9527 Protection of Environment...-piperidin-4-ol) ester of cy-clo-ali-phatic spiroketal. (a) Chemical substance and significant new uses...

GC/MS analysis and characterization of 2-Hexadecen-1-ol and beta sitosterol from Schimpera arabica extract for its bioactive potential as antioxidant and antimicrobial.

PubMed

Hidayathulla, S; Shahat, A A; Ahamad, S R; Al Moqbil, A A N; Alsaid, M S; Divakar, D D

2018-05-01

We evaluated the in vitro antioxidant and antimicrobial potential of Schimpera arabica extract and fractions (2-Hexadecen-1-ol and beta sitosterol). Free radical scavenging activity was estimated by using ABTS and DPPH methods, reducing power and iron chelation was studied to investigate antioxidant potential of the extracts. Well-diffusion method was utilized to evaluate the antimicrobial activity of the extracts. Gas chromatography-mass spectroscopy analysis of the extract revealed the presence of 27 compounds. Phenolic and flavonoid contents were found in high amount (7·6-18 mg GAE, mg g -1 ; 3·2-10·8 mg catechin, mg g -1 ) in dry plant material. Among all the extracts, 2-Hexadecen-1-ol and beta sitosterol were the major constituents of crude extract and exhibited significant antioxidant potential as well antimicrobial activity; however, all other fractions also exhibited fare degree of antioxidant potential. 93% DPPH was scavenged by 100 μg ml -1 of the ethyl acetate fraction; in ABTS assay chelation was 86·2 and 88% in ferric chloride reducing power assay. Schimpera arabica is naturally present and used in food preparation in most Arabian nations. The characterization of S. arabica would provide an insight into its medicinal use as home remedial for bacterial infection and as antioxidant. Significant and comparable antimicrobial activity was demonstrated by both 2-Hexadecen-1-ol and beta sitosterol fractions. The results suggest that S. arabica contain a good amount of natural antioxidants of medicinal importance. However, further investigations are needed to characterize the further activity of 2-Hexadecen-1-ol and beta sitosterol in vivo. © 2018 The Society for Applied Microbiology.

2-Methyltetrahydro-3-benzazepin-1-ols - The missing link in SAR of GluN2B selective NMDA receptor antagonists.

PubMed

Dey, Sougata; Schepmann, Dirk; Wünsch, Bernhard

2018-01-15

The NMDA receptor containing GluN2B subunits represents a promising target for the development of drugs for the treatment of various neurological disorders including neurodegenerative diseases. In order to study the role of CH 3 and OH moieties trisubstituted tetrahydro-3-benzazepines 4 were designed as missing link between tetra- and disubstituted 3-benzazepines 2 and 5. The synthesis of 4 comprises eight reaction steps starting from alanine. The intramolecular Friedel-Crafts acylation to obtain the ketone 12 and the base-catalyzed elimination of trifluoromethanesulfinate (CF 3 SO 2 - ) followed by NaBH 4 reduction represent the key steps. The GluN2B affinity of the cis-configured 3-benzazepin-1-ol cis-4a with a 4-phenylbutyl side chain (K i  = 252 nM) is considerably lower than the GluN2B affinity of (R,R)-2 (K i  = 17 nM) indicating the importance of the phenolic OH moiety for the interaction with the receptor protein. Introduction of an additional CH 3 moiety in 2-position led to a slight decrease of GluN2B affinity as can be seen by comparing the affinity data of cis-4a and 5. The homologous phenylpentyl derivative cis-4b shows the highest GluN2B affinity (K i  = 56 nM) of this series of compounds. According to docking studies cis-4a adopts the same binding mode as the cocrystallized ligand ifenprodil-keto 1A and 5 at the interface of the GluN2B and GluN1a subunits. The same crucial H-bonds are formed between the C(O)NH 2 moiety of Gln110 within the GluN2B subunit and the protonated amino moiety and the OH moiety of (R,R)-cis-4a. Copyright © 2017 Elsevier Ltd. All rights reserved.

Synthesis and biological characterization of (3R,4R)-4-(2-(benzhydryloxy)ethyl)-1-((R)-2-hydroxy-2-phenylethyl)-piperidin-3-ol and its stereoisomers for monoamine transporters

PubMed Central

Kharkar, Prashant S.; Batman, Angela M.; Zhen, Juan; Beardsley, Patrick M.; Reith, Maarten E. A.

2012-01-01

In this report we describe synthesis and biological evaluation of a series of asymmetric 4-(2-(benzhydryloxy)ethyl)-1-((R)-2-hydroxy-2-phenylethyl)-piperidin-3-ol based dihydroxy compounds where the hydroxy groups are located both on the piperidine ring and also on the N-phenylethyl side chain exo-cyclically. In vitro uptake inhibition data indicates high affinity of these molecules for the dopamine transporter (DAT) in addition to their moderate to high affinity for the norepinephrine transporter (NET). Interestingly, compounds 9b and 9d exhibited affinities for all three monoamine transporters with highest potency at DAT and NET and moderate potency at the serotonin transporter (SERT) (Ki 2.29, 78.4 and 155 nM for 9b and 1.55, 14.1 and 259 nM for 9d, respectively). Selected compounds, 9a, 9d and 9d’ were tested for their locomotor activity effects in mice, and for their ability to occasion the cocaine discriminative stimulus in rats. These test compounds generally exhibited a much longer duration of action than cocaine for elevating locomotor activity, and dose-dependently completely generalized the cocaine discriminative stimulus. PMID:19449323

Identification, quantitation, and method validation for flavan-3-ols in fermented ready-to-drink teas from the Italian market using HPLC-UV/DAD and LC-MS/MS.

PubMed

Cordero, Chiara; Canale, Francesca; Del Rio, Daniele; Bicchi, Carlo

2009-11-01

The present study is focused on flavan-3-ols characterizing the antioxidant properties of fermented tea (Camellia sinensis). These bioactive compounds, object of nutritional claims in commercial products, should be quantified with rigorous analytical procedures whose accuracy and precision have been stated with a certain level of confidence. An HPLC-UV/DAD method, able to detect and quantify flavan-3-ols in infusions and ready-to-drink teas, has been developed for routine analysis and validated by characterizing several performance parameters. The accuracy assessment has been run through a series of LC-MS/MS analyses. Epigallocatechin, (+)-catechin, (-)-epigallocatechingallate, (-)-epicatechin, (-)-gallocatechingallate, (-)-epicatechingallate, and (-)-catechingallate were chosen as markers of the polyphenolic fraction. Quantitative results showed that samples obtained from tea leaves infusion were richer in polyphenolic antioxidants than those obtained through other industrial processes. The influence of shelf-life and packaging material on the flavan-3-ols content was also considered; markers decreased, with an exponential trend, as a function of time within the shelf life while packaging materials demonstrated to influence differently the flavan-3-ol fraction composition over time. The method presented here provides quantitative results with a certain level of confidence and is suitable for a routine quality control of iced teas whose antioxidant properties are object of nutritional claim.

Quantitative Model to Predict Melts on the Ol-Opx Saturation Boundary during Mantle Melting: The Role of H2O

NASA Astrophysics Data System (ADS)

Andrews, A. L.; Grove, T. L.

2014-12-01

Two quantitative, empirical models are presented that predict mantle melt compositions in equilibrium with olivine (ol) + orthopyroxene (opx) ± spinel (sp) as a function of variable pressure and H2O content. The models consist of multiple linear regressions calibrated using new data from H2O-undersaturated primitive and depleted mantle lherzolite melting experiments as well as experimental literature data. The models investigate the roles of H2O, Pressure, 1-Mg# (1-[XMg/(XMg+XFe)]), NaK# ((Na2O+K2O)/(Na2O+K2O+CaO)), TiO2, and Cr2O3 on mantle melt compositions. Melts are represented by the pseudoternary endmembers Clinopyroxene (Cpx), Olivine (Ol), Plagioclase (Plag), and Quartz (Qz) of Tormey et al. (1987). Model A returns predictive equations for the four endmembers with identical predictor variables, whereas Model B chooses predictor variables for the four compositional endmember equations and temperature independently. We employ the use of Akaike Information Criteria (Akaike, 1974) to determine the best predictor variables from initial variables chosen through thermodynamic reasoning and by previous models. In both Models A and B, the coefficients for H2O show that increasing H2O drives the melt to more Qz normative space, as the Qz component increases by +0.012(3) per 1 wt.% H2O. The other endmember components decrease and are all three times less affected by H2O (Ol: -0.004(2); Cpx: -0.004(2); Plag: -0.004(3)). Consistent with previous models and experimental data, increasing pressure moves melt compositions to more Ol normative space at the expense of the Qz component. The models presented quantitatively determine the influence of H2O, Pressure, 1-Mg#, NaK#, TiO2, and Cr2O3 on mantle melts in equilibrium with ol+opx±sp; the equations presented can be used to predict melts of known mantle source compositions saturated in ol+opx±sp. References Tormey, Grove, & Bryan (1987), doi: 10.1007/BF00375227. Akaike (1974), doi: 10.1109/TAC.1974.1100705.

Organosulfates as Tracers for Secondary Organic Aerosol (SOA) Formation from 2-Methyl-3-Buten-2 ol (MBO) in the Atmosphere

EPA Science Inventory

2-Methyl-3-buten-2-ol (MBO) is an important biogenic volatile organic compound (BVOC) emitted by pine trees and a potential precursor of atmospheric secondary organic aerosol (SOA) in forested regions. In the present study, hydroxyl radical (OH)-initiated oxidation of MBO was exa...

Microwave assisted synthesis and structure-activity relationship of 4-hydroxy-N'-[1-phenylethylidene]-2H/2-methyl-1,2-benzothiazine-3-carbohydrazide 1,1-dioxides as anti-microbial agents.

PubMed

Ahmad, Naveed; Zia-ur-Rehman, Muhammad; Siddiqui, Hamid Latif; Ullah, Muhammad Fasih; Parvez, Masood

2011-06-01

A series of 4-hydroxy-N'-[1-phenylethylidene]-2H/2-methyl, 1,2-benzothiazine-3-carbohydrazide 1,1-dioxides was synthesized from commercially available sodium saccharin. Base catalyzed ring expansion of methyl (1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetate followed by ultrasound mediated hydrazinolysis and subsequent reaction with 1-phenylethanones under the influence of microwaves yielded the title compounds. Besides, microwave assisted synthesis of 1,4-dihydropyrazolo[4,3-c][1,2]benzothiazin-3-ol 5,5-dioxide and 4-methyl-1,4-dihydropyrazolo[4,3-c][1,2]benzothiazin-3-ol 5,5-dioxide is also discussed. Most of the synthesized compounds were found to possess moderate to significant anti-microbial (anti-bacterial and anti-fungal) activities. It is found that compounds with greater lipophilicity (N-methyl analogues) possessed higher anti-bacterial activities. Copyright © 2011 Elsevier Masson SAS. All rights reserved.

Chlorogenic acid, anthocyanin and flavan-3-ol biosynthesis in flesh and skin of Andean potato tubers (Solanum tuberosum subsp. andigena).

PubMed

Valiñas, Matías Ariel; Lanteri, María Luciana; Ten Have, Arjen; Andreu, Adriana Balbina

2017-08-15

Natural variation of Andean potato was used to study the biosynthesis of phenolic compounds. Levels of phenolic compounds and corresponding structural gene transcripts were examined in flesh and skin of tubers. Phenolic acids, mainly chlorogenic acid (CGA), represent the major compounds, followed by anthocyanins and flavan-3-ols. High-anthocyanin varieties have high levels of CGA. Both metabolite and transcript levels were higher in skin than in flesh and showed a good correspondence. Two hydroxycinnamoyl-CoA transferases (HCT/HQT) have been involved in CGA production, of which HCT reflects CGA levels. Catechin was found in pigmented tissues whereas epicatechin was restricted to tuber skin. Transcripts of leucoanthocyanidin reductase (LCR), which generates catechin, could not be detected. Anthocyanidin reductase (ANR) transcripts, the enzyme responsible for epicatechin production, showed similar levels among samples. These data suggest that the biosynthesis of flavan-3-ols in potato tuber would require ANR but not LCR and that an epimerization process is involved. Copyright © 2017 Elsevier Ltd. All rights reserved.

Preliminary research on 1-(4-bromo-2-nitroimidazol-1-yl)-3-[(18)F]fluoropropan-2-ol as a novel brain hypoxia PET tracer in a rodent model of stroke.

PubMed

Nieto, Elena; Delgado, Mercedes; Sobrado, Mónica; de Ceballos, María L; Alajarín, Ramón; García-García, Luis; Kelly, James; Lizasoain, Ignacio; Pozo, Miguel A; Álvarez-Builla, Julio

2015-08-28

The synthesis of the new radiotracer precursor 4-Br-NITTP and the radiolabeling of the new tracer 1-(4-bromo-2-nitroimidazol-1-yl)-3-[(18)F]fluoropropan-2-ol (4-Br-[(18)F]FMISO) is reported. The cyclic voltammetry behaviour, neuronal cell toxicity, transport through the brain endothelial cell monolayer, in vivo PET imaging and preliminary calculations of the tracer uptake for a rodent model of stroke were studied for the new compound and the results were compared to those obtained with [(18)F]FMISO, the current gold standard PET hypoxia tracer. The new PET brain hypoxia tracer is more easily reduced, has higher CLogP than [(18)F]FMISO and it diffuses more rapidly through brain endothelial cells. The new compound is non-toxic to neuronal cells and it allows the in vivo mapping of stroke in mice with higher sensitivity. 4-Br-[(18)F]FMISO is a good candidate for further development in ischemic stroke. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

Steroidal 5-en-3-ones, intermediates of the transformation of steroidal 5-en-3 beta-ols to steroidal 4-en-3,6-diones oxidized by pyridinium dichromate and pyridinium chlorochromate.

PubMed

Li, S H; Li, T S

1998-02-01

Oxidation of cholesterol (1a) or pregnenolone (1b) with pyridinium dichromate (PDC) in dimethylformamide (DMF) or in dichloromethane (DCM) and pyridinium chlorochromate (PCC) in DCM provided cholest-4-en-3,6-dione (2a) or pregn-4-en-3,6,20-trione (2b). TLC monitoration of the reactions implied that cholest-5-en-3-one (3a) or pregn-5-en-3,20-dione (3b) and cholest-4-en-3-one (4a) or pregn-4-en-3,20-dione (4b) might be intermediates. Individual oxidation of 3a or 3b with PDC and PCC could give 2a or 2b, but 4a or 4b remained unchanged. Further investigation indicated that 4a or 4b was an isomerization product of 3a or 3b on silica gel TLC plate rather than really existence in the reaction mixture. These results shown steroidal 5-en-3-ones were intermediates of the transformation of steroidal 5-en-3 beta-ols to steroidal 4-en-3,6-diones oxidized by PDC and PCC.

Learning, Play, and Your 1- to 3-Month-Old

MedlinePlus

... Staying Safe Videos for Educators Search English Español Learning, Play, and Your 1- to 3-Month-Old ... Baby to Learn Print What Your Baby Is Learning After learning to recognize your voice, your face, ...

Innovative analysis of 3-mercaptohexan-1-ol, 3-mercaptohexylacetate and their corresponding disulfides in wine by stable isotope dilution assay and nano-liquid chromatography tandem mass spectrometry.

PubMed

Roland, Aurélie; Delpech, Stéphane; Dagan, Laurent; Ducasse, Marie-Agnès; Cavelier, Florine; Schneider, Rémi

2016-10-14

Both 3-mercaptohexan-1-ol (3MH) and 3-mercaptohexyl acetate (3MHA) were largely studied for the last 20 years due to their pleasant olfactory notes conferred to wine. Until now, many analytical methods focused only on the free forms of both 3MH and 3MHA in wine that provided partial information in the wine aroma evolution. Our study proposes new analytical measurements which allow quantification of both free and disulfide forms of 3MH and 3MHA to better understand the redox phenomenon occurring in wines and further, to orientate wine aroma evolution. Free thiols were analyzed by an original method based on maleimide derivatization allowing in-situ disulfide reduction followed by SIDA-LC-MS/MS analyses exhibiting excellent performances. Indeed, the accuracy ranged from 95 to 110% in three different wine matrices and the repeatability and intermediate reproducibility were inferior to 15% (RSD measurements). Our method exhibited very low limits of detection, which are below to 0.5ng/L and inferior to the perception thresholds of both compounds. Then, this method was applied to three different wines exposed to several oxidative conditions. On the one hand, it was demonstrated that copper sulfate treatment firstly destroyed the total amount of free 3MH to the benefit of thioether and disulfides compounds, with proportions that could be slightly modified by glutathione addition. On the other hand, oxygenation of wines resulted in partial free 3MH destruction to the benefit of thioether compounds. We proposed for the first time an innovative analysis that gives a complete picture of wine aroma, which can be really useful to winemakers to manage wine aroma evolution and to take advantage of the disulfide reservoir. Copyright © 2016 Elsevier B.V. All rights reserved.

Does flavor impact function? Potential consequences of polyphenol-protein interactions in delivery and bioactivity of flavan-3-ols from foods.

PubMed

Ferruzzi, Mario G; Bordenave, Nicolas; Hamaker, Bruce R

2012-11-05

Astringency is a component of the overall flavor experienced when consuming polyphenol rich foods and beverages such as tea, wine, cocoa and select fruits. Following consumption, the astringent sensation results from the well documented ability of polyphenols to bind to salivary proline rich proteins (PRP) and facilitate their precipitation in the oral cavity. In a similar fashion, polyphenols are also known to non-specifically bind food and other biological proteins. While much is known regarding the polyphenol-protein interactions leading to astringency, significantly less information is available regarding the impact of these polyphenol-protein interactions with food or other biological proteins on relevant physiological outcomes. This paper focuses on the interactions between flavan-3-ols, one of the most abundant dietary polyphenol forms, with proteins in food, salivary PRP and other physiological proteins. The physiological implications of these interactions in food and through the gut will be discussed in relation to manipulation of flavan-3-ol bioavailability, metabolism and biological activities including inhibition of digestive enzymes in the gut. Copyright © 2012 Elsevier Inc. All rights reserved.

Role of (3Z,6Z,8E)-dodecatrien-1-ol in trail following, feeding, and mating behavior of Reticulitermes hesperus.

PubMed

Saran, Raj K; Millar, Jocelyn G; Rust, Michael K

2007-02-01

Trail pheromones mediate communication among western subterranean termites, Reticulitermes hesperus Banks. Repetitive passages of >or=28 termites were required to establish a pheromone trail and trails needed to be reinforced because they lasted <48 hr. The minimal threshold concentration for inducing responses from termite workers and secondary reproductives was between 0.01 and 0.1 fg/cm of (3Z,6Z,8E)-dodecatrien-1-ol (henceforth, dodecatrienol). Workers showed optimal trail-following behavior to dodecatrienol at a concentration of 10 fg/cm. Trails with concentrations >10 pg/cm were repellent to workers. Workers did not detect pheromone gradients, responding equally to increasing or decreasing gradients of dodecatrienol, and termite workers were not able to differentiate between different concentrations of dodecatrienol. Termites preferred dodecatrienol trails to 2-phenoxyethanol trails. Antennae played a key role in trail pheromone perception. Dodecatrienol acted as an arrestant for worker termites (10 fg/cm2) and male alates (5 ng/cm2), whereas sternal gland extracts from females attracted male alates. Workers and alates, upon contact with filter paper disks treated with higher doses (10 fg/cm2 and 5 ng/cm2, respectively) of dodecatrienol, were highly excited (increased antennation and palpation) and repeatedly returned to the treated disks. Dodecatrienol did not act as a phagostimulant when offered on a paper towel disk. Reticulitermes hesperus is highly responsive to dodecatrienol, and it may play an important role in orientation of workers and alates.

Chronic ingestion of flavan-3-ols and isoflavones improves insulin sensitivity and lipoprotein status and attenuates estimated 10-year CVD risk in medicated postmenopausal women with type 2 diabetes: a 1-year, double-blind, randomized, controlled trial.

PubMed

Curtis, Peter J; Sampson, Mike; Potter, John; Dhatariya, Ketan; Kroon, Paul A; Cassidy, Aedín

2012-02-01

To assess the effect of dietary flavonoids on cardiovascular disease (CVD) risk in postmenopausal women with type 2 diabetes on established statin and hypoglycemic therapy. Despite being medicated, patients with type 2 diabetes have elevated CVD risk, particularly postmenopausal women. Although dietary flavonoids have been shown to reduce CVD risk factors in healthy participants, no long-term trials have examined the additional benefits of flavonoids to CVD risk in medicated postmenopausal women with type 2 diabetes. We conducted a parallel-design, placebo-controlled trial with type 2 diabetic patients randomized to consume 27 g/day (split dose) flavonoid-enriched chocolate (containing 850 mg flavan-3-ols [90 mg epicatechin] and 100 mg isoflavones [aglycone equivalents)]/day) or matched placebo for 1 year. Ninety-three patients completed the trial, and adherence was high (flavonoid 91.3%; placebo 91.6%). Compared with the placebo group, the combined flavonoid intervention resulted in a significant reduction in estimated peripheral insulin resistance (homeostasis model assessment of insulin resistance [HOMA-IR] -0.3 ± 0.2; P = 0.004) and improvement in insulin sensitivity (quantitative insulin sensitivity index [QUICKI] 0.003 ± 0.00; P = 0.04) as a result of a significant decrease in insulin levels (-0.8 ± 0.5 mU/L; P = 0.02). Significant reductions in total cholesterol:HDL-cholesterol (HDL-C) ratio (-0.2 ± 0.1; P = 0.01) and LDL-cholesterol (LDL-C) (-0.1 ± 0.1 mmol/L; P = 0.04) were also observed. Estimated 10-year total coronary heart disease risk (derived from UK Prospective Diabetes Study algorithm) was attenuated after flavonoid intervention (flavonoid +0.1 ± 0.3 vs. placebo 1.1 ± 0.3; P = 0.02). No effect on blood pressure, HbA(1c), or glucose was observed. One-year intervention with flavan-3-ols and isoflavones improved biomarkers of CVD risk, highlighting the additional benefit of flavonoids to standard drug therapy in managing CVD risk in

SCOSII OL: A dedicated language for mission operations

NASA Technical Reports Server (NTRS)

Baldi, Andrea; Elgaard, Dennis; Lynenskjold, Steen; Pecchioli, Mauro

1994-01-01

The Spacecraft Control and Operations System 2 (SCOSII) is the new generation of Mission Control Systems (MCS) to be used at ESOC. The system is generic because it offers a collection of standard functions configured through a database upon which a dedicated MCS is established for a given mission. An integral component of SCOSII is the support of a dedicated Operations Language (OL). The spacecraft operation engineers edit, test, validate, and install OL scripts as part of the configuration of the system with, e.g., expressions for computing derived parameters and procedures for performing flight operations, all without involvement of software support engineers. A layered approach has been adopted for the implementation centered around the explicit representation of a data model. The data model is object-oriented defining the structure of the objects in terms of attributes (data) and services (functions) which can be accessed by the OL. SCOSII supports the creation of a mission model. System elements as, e.g., a gyro are explicit, as are the attributes which described them and the services they provide. The data model driven approach makes it possible to take immediate advantage of this higher-level of abstraction, without requiring expansion of the language. This article describes the background and context leading to the OL, concepts, language facilities, implementation, status and conclusions found so far.

Enhanced 3-Sulfanylhexan-1-ol Production in Sequential Mixed Fermentation with Torulaspora delbrueckii/Saccharomyces cerevisiae Reveals a Situation of Synergistic Interaction between Two Industrial Strains

PubMed Central

Renault, Philippe; Coulon, Joana; Moine, Virginie; Thibon, Cécile; Bely, Marina

2016-01-01

The aim of this work was to study the volatile thiol productions of two industrial strains of Torulaspora delbrueckii and Saccharomyces cerevisiae during alcoholic fermentation (AF) of Sauvignon Blanc must. In order to evaluate the influence of the inoculation procedure, sequential and simultaneous mixed cultures were carried out and compared to pure cultures of T. delbrueckii and S. cerevisiae. The results confirmed the inability of T. delbrueckii to release 4-methyl-4-sulfanylpentan-2-one (4MSP) and its low capacity to produce 3-sulfanylhexyl acetate (3SHA), as already reported in previous studies. A synergistic interaction was observed between the two species, resulting in higher levels of 3SH (3-sulfanylhexan-1-ol) and its acetate when S. cerevisiae was inoculated 24 h after T. delbrueckii, compared to the pure cultures. To elucidate the nature of the interactions between these two species, the yeast population kinetics were examined and monitored, as well as the production of 3SH, its acetate and their related non-odorous precursors: Glut-3SH (glutathionylated conjugate precursor) and Cys-3SH (cysteinylated conjugate precursor). For the first time, it was suggested that, unlike S. cerevisiae, which is able to metabolize the two precursor forms, T. delbrueckii was only able to metabolize the glutathionylated precursor. Consequently, the presence of T. delbrueckii during mixed fermentation led to an increase in Glut-3SH degradation and Cys-3SH production. This overproduction was dependent on the T. delbrueckii biomass. In sequential culture, thus favoring T. delbrueckii development, the higher availability of Cys-3SH throughout AF resulted in more abundant 3SH and 3SHA production by S. cerevisiae. PMID:27014216

Enhanced 3-Sulfanylhexan-1-ol Production in Sequential Mixed Fermentation with Torulaspora delbrueckii/Saccharomyces cerevisiae Reveals a Situation of Synergistic Interaction between Two Industrial Strains.

PubMed

Renault, Philippe; Coulon, Joana; Moine, Virginie; Thibon, Cécile; Bely, Marina

2016-01-01

The aim of this work was to study the volatile thiol productions of two industrial strains of Torulaspora delbrueckii and Saccharomyces cerevisiae during alcoholic fermentation (AF) of Sauvignon Blanc must. In order to evaluate the influence of the inoculation procedure, sequential and simultaneous mixed cultures were carried out and compared to pure cultures of T. delbrueckii and S. cerevisiae. The results confirmed the inability of T. delbrueckii to release 4-methyl-4-sulfanylpentan-2-one (4MSP) and its low capacity to produce 3-sulfanylhexyl acetate (3SHA), as already reported in previous studies. A synergistic interaction was observed between the two species, resulting in higher levels of 3SH (3-sulfanylhexan-1-ol) and its acetate when S. cerevisiae was inoculated 24 h after T. delbrueckii, compared to the pure cultures. To elucidate the nature of the interactions between these two species, the yeast population kinetics were examined and monitored, as well as the production of 3SH, its acetate and their related non-odorous precursors: Glut-3SH (glutathionylated conjugate precursor) and Cys-3SH (cysteinylated conjugate precursor). For the first time, it was suggested that, unlike S. cerevisiae, which is able to metabolize the two precursor forms, T. delbrueckii was only able to metabolize the glutathionylated precursor. Consequently, the presence of T. delbrueckii during mixed fermentation led to an increase in Glut-3SH degradation and Cys-3SH production. This overproduction was dependent on the T. delbrueckii biomass. In sequential culture, thus favoring T. delbrueckii development, the higher availability of Cys-3SH throughout AF resulted in more abundant 3SH and 3SHA production by S. cerevisiae.

(-)-Terpinen-4-ol changes intracellular Ca2+ handling and induces pacing disturbance in rat hearts.

PubMed

Gondim, Antonio Nei Santana; Lara, Aline; Santos-Miranda, Artur; Roman-Campos, Danilo; Lauton-Santos, Sandra; Menezes-Filho, José Evaldo Rodrigues; de Vasconcelos, Carla Maria Lins; Conde-Garcia, Eduardo Antonio; Guatimosim, Silvia; Cruz, Jader S

2017-07-15

(-)-Terpinen-4-ol is a naturally occurring plant monoterpene and has been shown to have a plethora of biological activities. The objective of this study was to investigate the effects of (-)-terpinen-4-ol on the rat heart, a key player in the control and maintenance of arterial blood pressure. The effects of (-)-terpinen-4-ol on the rat heart were investigated using isolated left atrium isometric force measurements, in vivo electrocardiogram (ECG) recordings, patch clamp technique, and confocal microscopy. It was observed that (-)-terpinen-4-ol reduced contraction force in an isolated left atrium at millimolar concentrations. Conversely, it induced a positive inotropic effect and extrasystoles at micromolar concentrations, suggesting that (-)-terpinen-4-ol may have arrhythmogenic activity on cardiac tissue. In anaesthetized animals, (-)-terpinen-4-ol also elicited rhythm disturbance, such as supraventricular tachycardia and atrioventricular block. To investigate the cellular mechanism underlying the dual effect of (-)-terpinen-4-ol on heart muscle, experiments were performed on isolated ventricular cardiomyocytes to determine the effect of (-)-terpinen-4-ol on L-type Ca 2+ currents, Ca 2+ sparks, and Ca 2+ transients. The arrhythmogenic activity of (-)-terpinen-4-ol in vitro and in vivo may be explained by its effect on intracellular Ca 2+ handling. Taken together, our data suggest that (-)-terpinen-4-ol has cardiac arrhythmogenic activity. Copyright © 2017 Elsevier B.V. All rights reserved.

Metabolic variation and antioxidant potential of Malus prunifolia (wild apple) compared with high flavon-3-ol containing fruits (apple, grapes) and beverage (black tea).

PubMed

Maria John, K M; Enkhtaivan, Gansukh; Kim, Ju Jin; Kim, Doo Hwan

2014-11-15

Secondary metabolic variation of wild apple (Malus prunifolia) was compared with fruits that contained high flavan-3-ol like grapes (GR), apple (App) and the beverage, black tea (BT). The polyphenol contents in wild apple was higher than in GR and App but less than BT. The identified phenolic acids (gallic, protocatechuic, chlorogenic, p-coumaric and ferulic acids) and flavonoids (quercetin and myricetin) indicate that wild apple was higher than that of App. Among all the samples, BT had highest antioxidant potential in terms of 2,2'-Azinobis (3-thylbenzothiazoline-6-sulfonic acid) diammonium salt (95.36%), metal chelating (45.36%) and phosphomolybdenum activity (95.8 mg/g) because of the high flavan-3-ol content. The gallic acid and epigallocatechin gallate were highly correlated with antioxidant potential and these metabolites levels are higher in wild apple than that of App. Wild apples being a non-commercial natural source, a detailed study of this plant will be helpful for the food additive and preservative industry. Copyright © 2014 Elsevier Ltd. All rights reserved.

Low-Temperature Synchrotron Photoionization Study of 2-Methyl-3-buten-2-ol (MBO) Oxidation Initiated by O(3P) Atoms in the 298-650 K Range.

PubMed

Fathi, Yasmin; Price, Chelsea; Meloni, Giovanni

2017-04-20

This work studies the oxidation of 2-methyl-3-buten-2-ol initiated by O( 3 P) atoms. The oxidation was investigated at room temperature, 550, and 650 K. Using the synchrotron radiation from the Advanced Light Source (ALS) of the Lawrence Berkley National Laboratory, reaction intermediates and products were studied by multiplexed photoionization mass spectrometry. Mass-to-charge ratios, kinetic time traces, photoionization spectra, and adiabatic ionization energies for each primary reaction species were obtained and used to characterize their identity. Using electronic structure calculations, potential energy surface scans of the different species produced throughout the oxidation were examined and presented in this paper to further validate the primary chemistry occurring. Branching fractions of primary products at all three temperatures were also provided. At room temperature only three primary products formed: ethenol (26.6%), acetaldehyde (4.2%), and acetone (53.4%). At 550 and 650 K the same primary products were observed in addition to propene (5.1%, 11.2%), ethenol (18.1%, 2.8%), acetaldehyde (8.9%, 5.7%), cyclobutene (1.6%, 10.8%), 1-butene (2.0%, 10.9%), trans-2-butene (3.2%, 23.1%), acetone (50.4%, 16.8%), 3-penten-2-one (1.0%, 11.5%), and 3-methyl-2-butenal (0.9%, 2.5%), where the first branching fraction value in parentheses corresponds to the 550 K data. At the highest temperature, a small amount of propyne (1.0%) was also observed.

Total Phenolic, Phenolic Acid, Anthocyanin, Flavan-3-ol, and Flavonol Profiles and Antioxidant Properties of Pinto and Black Beans ( Phaseolus vulgaris L.) as Affected by Thermal Processing.

PubMed

Xu, Baojun; Chang, Sam K C

2009-06-10

The effects of boiling and steaming processes at atmospheric and high pressures on the phenolic components and antioxidant properties of pinto and black beans were investigated. In comparison to the original raw beans, all processing methods caused significant (p < 0.05) decreases in total phenolic content (TPC), total flavonoid content (TFC), condensed tannin content (CTC), monomeric anthocyanin content (MAC), DPPH free-radical scavenging activity (DPPH), ferric-reducing antioxidant power (FRAP), and oxygen radical absorbing capacity (ORAC) values in both pinto and black beans. Steaming processing resulted in a greater retention of TPC, DPPH, FRAP, and ORAC values than the boiling processes in both pinto and black beans. To further investigate how thermal processing affected phenolic compositions and to elucidate the contribution of individual phenolic compounds to antioxidant properties, phenolic acids, anthocyanins, flavan-3-ols, and flavonols were quantitatively analyzed by high-performance liquid chromatography (HPLC). All thermal processing significantly (p < 0.05) affected individual phenolic acids, anthocyanins, flavan-3-ols, and flavonols, significantly (p < 0.05) reduced total phenolic acid contents in both pinto and black beans and total flavonol contents in pinto beans, and dramatically reduced anthocyanin contents in black beans. Phenolic acids and flavonols may play important roles on the overall antioxidant activities of pinto beans, while anthocyanins, flavan-3-ols, and flavonols may play important roles on the overall antioxidant activities of black beans.

Synthesis, spectroscopic characterization, DNA interaction and biological activities of Mn(II), Co(II), Ni(II) and Cu(II) complexes with [(1H-1,2,4-triazole-3-ylimino)methyl]naphthalene-2-ol

NASA Astrophysics Data System (ADS)

Gaber, Mohamed; El-Wakiel, Nadia A.; El-Ghamry, Hoda; Fathalla, Shaimaa K.

2014-11-01

Manganese(II), cobalt(II), nickel(II) and copper(II) complexes of [(1H-1,2,4-triazole-3-ylimino)methyl]naphthalene-2-ol have been synthesized. The structure of complexes have been characterized by elemental analysis, molar conductance, magnetic moment measurements and spectral (IR, 1H NMR, EI-mass, UV-Vis and ESR), and thermal studies. The results showed that the chloro and nitrato Cu(II) complexes have octahedral geometry while Ni(II), Co(II) and Mn(II) complexes in addition to acetato Cu(II) complex have tetrahedral geometry. The possible structures of the metal complexes have been computed using the molecular mechanic calculations using the hyper chem. 8.03 molecular modeling program to confirm the proposed structures. The kinetic and thermodynamic parameters of the thermal decomposition steps were calculated from the TG curves. The binding modes of the complexes with DNA have been investigated by UV-Vis absorption titration. The results showed that the mode of binding of the complexes to DNA is intercalative or non-intercalative binding modes. Schiff base and its metal complexes have been screened for their in vitro antimicrobial activities against Gram positive bacteria (Staphylococcus aureus), Gram negative bacteria (Escherichia coli and Pesudomonas aeruginosa), fungi (Asperigllus flavus and Mucer) and yeast (Candida albicans and Malassezia furfur).

n-3 Fatty acids combined with flavan-3-ols prevent steatosis and liver injury in a murine model of NAFLD.

PubMed

Vauzour, David; Rodriguez-Ramiro, Ildefonso; Rushbrook, Simon; Ipharraguerre, Ignacio R; Bevan, Damon; Davies, Susan; Tejera, Noemi; Mena, Pedro; de Pascual-Teresa, Sonia; Del Rio, Daniele; Gavrilovic, Jelena; Minihane, Anne Marie

2018-01-01

Non-alcoholic fatty liver disease (NAFLD) affects 25% of adults and at present no licensed medication has been approved. Despite its complex patho-physiology, dietary strategies aiming at delaying or preventing NAFLD have taken a reductionist approach, examining the impact of single components. Accumulating evidence suggests that n-3 LC-PUFAs are efficacious in regulating lipogenesis and fatty acid oxidation. In addition, plant derived flavonoids are also emerging as a dietary strategy for NAFLD prevention, with efficacy attributed to their insulin sensitising and indirect antioxidant effects. Based on knowledge of their complementary molecular targets, we aimed to demonstrate that the combination of n-3 LC-PUFA (n-3) and flavan-3-ols (FLAV) prevents NAFLD. In a high-fat high-fructose (HF/HFr) fed C57Bl/6J mouse model, the independent and interactive impact of n-3 and FLAV on histologically defined NAFLD, insulin sensitivity, weight gain, intestinal and hepatic gene expression, intestinal bile acids were examined. Only the combination of FLAV and n-3 (FLAVn-3) prevented steatosis as evidenced by a strong reduction in hepatocyte ballooning. While FLAV reduced body (-28-30%), adipose tissue (-45-50%) weights and serum insulin (-22-25%) as observed following an intra-peritoneal glucose tolerance test, n-3 downregulated the expression of Srebf1 and the lipogenic genes (Acaca, Fasn). Significant impacts of interventions on intestinal bile acid metabolism, farnesoid X receptor (Fxr) signalling in the intestine and liver, and hepatic expression of fatty acid transporters (Fabp4, Vldlr, Cd36) were also evident. FLAVn-3 may be a novel intervention for NAFLD. Future research should aim to demonstrate its efficacy in the prevention and treatment of human NAFLD. Copyright © 2017 Elsevier B.V. All rights reserved.

A single oral dose of flavan-3-ols enhances energy expenditure by sympathetic nerve stimulation in mice.

PubMed

Kamio, Naoya; Suzuki, Takuma; Watanabe, Yuto; Suhara, Yoshitomo; Osakabe, Naomi

2016-02-01

Numerous clinical studies have found that ingestion of chocolate reduces the risk of metabolic syndrome, however, the mechanisms were remain unclear. We have reported that a single dose of a flavan-3-ol fraction derived from cocoa (FL) enhanced energy expenditure (EE) and increased the mRNA expression levels of uncoupling proteins (UCPs) and peroxisome proliferator-activated receptor gamma coactivator-1 alpha (PGC-1α), and the protein level of phosphorylated AMP-activated protein kinase (AMPK)α in tissues, along with plasma adrenaline level. In the present study, we examined whether the EE enhancing activity of FL is mediated by adrenergic effect using several adrenalin receptor (AR) blockers. In the first study, mice were butoxamine, as β2AR blocker, with vehicle or 10mg/kg FL orally. We found that pretreatment with butoxamine prevented the increases of EE, the mRNA expression of UCP-3, and phosphorylated AMPKα that were induced in the gastrocnemius muscle of mice by 10mg/kg FL. Secondly, mice were given SR52930, as β3AR blocker. Pretreatment with SR52930 prevented the increases of EE, the mRNA expression of UCP-3, and phosphorylated AMPKα that were induced in the gastrocnemius muscle of mice by 10mg/kg FL. Pretreatment with a combination of both blockers also reduced the increments in mRNA expression levels of UCPs and PGC-1α, however, phosphorylated AMPKα in skeletal muscle was rather increased. These results suggest that the ability of a single oral dose of FL to enhance metabolic activity is mediated by sympathetic nerve system (SNS). Copyright © 2015. Published by Elsevier Inc.

Influence of chocolate matrix composition on cocoa flavan-3-ol bioaccessibility in vitro and bioavailability in humans.

PubMed

Neilson, Andrew P; George, Judy C; Janle, Elsa M; Mattes, Richard D; Rudolph, Ralf; Matusheski, Nathan V; Ferruzzi, Mario G

2009-10-28

Conflicting data exist regarding the influence of chocolate matrices on the bioavailability of epicatechin (EC) from cocoa. The objective of this study was to assess the bioavailability of EC from matrices varying in macronutrient composition and physical form. EC bioavailability was assessed from chocolate confections [reference dark chocolate (CDK), high sucrose (CHS), high milk protein (CMP)] and cocoa beverages [sucrose milk protein (BSMP), non-nutritive sweetener milk protein (BNMP)], in humans and in vitro. Six subjects consumed each product in a randomized crossover design, with serum EC concentrations monitored over 6 h post consumption. Areas under the serum concentration-time curve (AUC) were similar among chocolate matrices. However, AUCs were significantly increased for BSMP and BNMP (132 and 143 nM h) versus CMP (101 nM h). Peak serum concentrations (C(MAX)) were also increased for BSMP and BNMP (43 and 42 nM) compared to CDK and CMP (32 and 25 nM). Mean T(MAX) values were lower, although not statistically different, for beverages (0.9-1.1 h) versus confections (1.8-2.3 h), reflecting distinct shapes of the pharmacokinetic curves for beverages and confections. In vitro bioaccessibility and Caco-2 accumulation did not differ between treatments. These data suggest that bioavailability of cocoa flavan-3-ols is likely similar from typical commercial cocoa based foods and beverages, but that the physical form and sucrose content may influence T(MAX) and C(MAX).

Health Information in Spanish (español)

MedlinePlus

... Roads Media Salmonella Infections Vaccine Information Statement (VIS) -- Typhoid Vaccines: What You Need to Know - English PDF Vaccine Information Statement (VIS) -- Typhoid Vaccines: What You Need to Know - español (Spanish) ...

Synthesis, solvatochromaticity and bioactivities of some transition metal complexes with 2-(R-benzylideneamino)-pyridin-3-ol Schiff base derivatives

NASA Astrophysics Data System (ADS)

Ahmed, I. S.; Kassem, M. A.

2010-10-01

New four Schiff bases are prepared by condensation of 2-amino-pyridin-3-ol with 3, 4-dihydroxy-benzaldehyde (I), 2-hydroxybenzaldehyde (II), 5-bromo-2-hydroxybenzaldehyde (III), and 4-dimethylaminobenzaldehyde (IV). The structures of these compounds are characterized based on elemental analyses (C. H. N), IR and 1H NMR. Also, the electronic absorption spectra are recorded in organic solvents of different polarity. The solvents are selected to be covered a wide range of parameters (refractive index, dielectric constant and hydrogen bonding capacity). The UV-vis absorption spectra of Schiff base compounds are investigated in aqueous buffer solutions of varying pH and utilized for the determination of ionization constant, p Ka and activation free energy, Δ G* of the ionization process. The biological activity against bacterial species and fungi as microorganisms representing different microbial categories such as (two Gram-negative bacteria, Eschericha coli and Agrobacterium sp.),three Gram-positive bacteria ( Staphylococcus aureus, Bacillus subtlus and Bacillus megatherium), yeast ( Candida albicans), and fungi ( Aspergillus niger) were studied.

Survey of commercially available chocolate- and cocoa-containing products in the United States. 2. Comparison of flavan-3-ol content with nonfat cocoa solids, total polyphenols, and percent cacao.

PubMed

Miller, Kenneth B; Hurst, W Jeffrey; Flannigan, Nancy; Ou, Boxin; Lee, C Y; Smith, Nancy; Stuart, David A

2009-10-14

A survey of a broad range of chocolate- and cocoa-containing products marketed in the United States was conducted to provide a more detailed analysis of flavan-3-ol monomers, oligomers, and polymers, which can be grouped into a class of compounds called procyanidins. Samples consisted of the three or four top-selling products within the following six categories: natural cocoa powder, unsweetened baking chocolate, dark chocolate, semisweet baking chips, milk chocolate, and chocolate syrup. Composite samples were characterized for percent fat (% fat), percent nonfat cocoa solids (% NFCS), antioxidant level by ORAC, total polyphenols, epicatechin, catechin, total monomers, and flavan-3-ol oligomers and polymers (procyanidins). On a gram weight basis epicatechin and catechin content of the products follow in decreasing order: cocoa powder > baking chocolate > dark chocolate = baking chips > milk chocolate > chocolate syrup. Analysis of the monomer and oligomer profiles within product categories shows there are two types of profiles: (1) products that have high monomers with decreasing levels of oligomers and (2) products in which the level of dimers is equal to or greater than the monomers. Results show a strong correlation (R(2) = 0.834) of epicatechin to the level of % NFCS and also very good correlations for N = 2-5 oligomers to % NFCS. A weaker correlation was observed for catechin to % NFCS (R(2) = 0.680). Other analyses show a similar high degree of correlation with epicatechin and N = 2-5 oligomers to total polyphenols, with catechin being less well correlated to total polyphenols. A lesser but still good correlation exists between the calculated percent cacao (calcd % cacao) content, a proxy for percent cacao, and these same flavanol measures, with catechin again showing a lesser degree of correlation to calcd % cacao. Principal component analysis (PCA) shows that the products group discretely into five classes: (1) cocoa powder, (2) baking chocolate, (3) dark

Theoretical investigation of the oxidation pathways of the Cl-initiated reaction of 2-methyl-3-buten-2-ol

NASA Astrophysics Data System (ADS)

Zhang, Weichao; Zhang, Dongju

2012-12-01

The mechanism and products of the reaction of 2-methyl-3-buten-2-ol (MBO232) with Cl atoms in the presence of O2 have been elucidated by performing high-level quantum chemistry calculations. The geometries of the reactants, intermediates, transition states, and products are optimized at the MP2(full)/6-311G(d, p) level, and their single-point energies are refined at the CCSD(T)/6-311 + G(d, p) level. The potential energy surface profiles have been constructed at the CCSD(T)/6-311 + G(d, p)//MP2(full)/6-311G(d, p) + 0.95 × ZPE level of theory, and the possible channels involved in the reaction are also discussed. The calculations indicate that the reaction predominantly proceeds via the addition of Cl atoms to the double bond rather than the direct abstraction of the H atoms in MBO232. The nascent adducts (CH3)2C(OH)CHCH2Cl (IM1) and (CH3)2C(OH)CHClCH2 (IM2) do not undergo subsequent isomerization and dissociation reactions, but rather react with O2. The theoretical results show that the major products are CH2ClCHO and CH3C(O)CH3 for the reaction of MBO232 + Cl in the presence of O2, which is in good agreement with the experimental finding.

An exploratory study on the peroxyl-radical-scavenging activity of 2,6-dimethyl-5-hepten-2-ol and its heterocyclic analogues

NASA Astrophysics Data System (ADS)

Stobiecka, Agnieszka; Sikora, Magdalena; Bonikowski, Radosław; Kula, Józef

2016-03-01

The structural properties and radical scavenging activity of 2,6-dimethyl-5-hepten-2-ol (1) and its new heterocyclic analogues, i.e. 2-methyl-4-(5-methylfuran-2-yl)-butan-2-ol (2) and 2-methyl-4-(5-methylthiophen-2-yl)-butan-2-ol (3) and have been studied by using the experimental and theoretical methods for the first time. Activity of title compounds against the peroxyl radical was determined by using standard fluorimetric test, i.e. the Oxygen Radical Absorbance Capacity assay (ORACFL). Furthermore, the electron-donating ability of odorants has been evaluated by using colorimetric ABTS assay. According to the experimental results obtained from the ORACFL test 2,6-dimethyl-5-hepten-2-ol was characterized by the highest activity in comparison with the novel counterparts. Nevertheless, all investigated compounds exhibited pronounced anti-peroxyl radical activity comparable to that exerted by the one of the most prominent antioxidant among the monoterpene alcohols, i.e. by linalool. On the other hand, the title compounds exerted relatively low capacity to quench the radical cation of ABTS. Theoretical calculations based on the Density Functional Theory (DFT) method with the hybrid functional B3LYP were carried out in order to investigate selected structural and electronic properties including the geometrical parameters as well as the energy of frontier molecular orbitals of parent molecules and the resulting radicals. Furthermore, the possible mechanism of peroxyl-radical-scavenging has been determined by using the thermodynamic descriptors such as the bond dissociation enthalpies (BDEs) and ionization potentials (IPs). These theoretical data pointed out the relevance of HAT mechanism in the peroxyl-radical-scavenging exhibited by 2,6-dimethyl-5-hepten-2-ol and its new heterocyclic analogues in polar and non-polar medium.

Ol' Blue Eyes, in Focus

ERIC Educational Resources Information Center

Nelson, Michael

2009-01-01

Scholarly books with "identity" and "culture" in the title have loomed large on academic publishing lists for several years. Scholarly books with "Sinatra" in the title are a more recent phenomenon. Despite his six-decade career as the Voice (the 1940s), the Chairman of the Board (the 50s and 60s), and Ol' Blue Eyes (the 70s through his death, in…

100-OL-1 Operable Unit Field Portable X-Ray Fluorescence (XRF) Analyzer Pilot Study Plans

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bunn, Amoret L.; Fritz, Brad G.; Wellman, Dawn M.

A pilot study is being conducted to support the approval of the Remedial Investigation/Feasibility Study (RI/FS) Work Plan to evaluate the 100-OL-1 Operable Unit (OU) pre-Hanford orchard lands. Based on comments received by the U.S. Environmental Protection Agency (EPA) and Washington State Department of Ecology, the pilot study will evaluate the use of field portable X-ray fluorescence (XRF) spectrometry measurements for evaluating lead and arsenic concentrations on the soil surface as an indicator of past use of lead arsenate pesticide residue in the OU. The work will be performed in the field during the summer of 2014, and assist inmore » the planning for the characterization activities in the RI/FS.« less

2-methyl-3-butyn-2-ol as an acetylene precursor in the Mannich reaction. A new synthesis of suicide inactivators of monoamine oxidase

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fowler, J.S.

A two-step reaction process is reported for the synthesis of /sup 11/C, /sup 13/C, or /sup 14/C-labelled propargylamines in moderate yields. The propargylamines were prepared by a modified Mannich scheme without the use of acetylene. The reaction scheme involved the use of 2-methyl-3-butyn-2-ol followed by KOH-catalyzed elimination of acetone from the acetylenic carbinols. (BLM)

Chrysen-2-ol derivative from West Indian Wood Nettle Laportea aestuans (L.) Chew inhibits oxidation and microbial growth in vitro

PubMed Central

Oloyede, Ganiyat K.; Oyelola, Martha S.

2013-01-01

Bio-active compounds present in West Indian Wood Nettle Laportea aestuans (L.) Chew (Urticaceae), used in ethno medicine as antioxidant and antimicrobial were studied. The aim of this research work was to isolate and characterize the bio-active compounds in the n-hexane fraction of L. aestuans, determine the toxicity and subject it to in-vitro antimicrobial and free radical scavenging activities. The chemical constituents were isolated by gradient elution column chromatographic technique and Ultra Violet/visible (UV), Infrared (IR) and Nuclear Magnetic Resonance (NMR) spectroscopies were used for structural elucidation. The free radical scavenging activity of the isolate was assessed using three methods; scavenging effect on 2,2-diphenyl-1-picrylhydrazyl radical (DPPH), hydroxyl radical generated from hydrogen peroxide and ferric thiocynate method. Antimicrobial screening was done by agar well diffusion method while toxicity was determined by Brine shrimp lethality test. Structures were proposed for the white crystalline solids isolated; (4E)-3,6-dimethylhep-4-en-3-ol (AB) and 1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11-hexadecahydro-1,1,6a,10b-tetramethyl-7-((E)-4,7-dimethyloct-5-enyl) chrysen-2-ol (AC). Percentage yield of AC was 91.2 and was non-toxic with LC50 (µg/ml) value of 1581233000.0. AC significantly scavenged free radical at 0.0625 mg/ml in the DPPH (64.73 %) and hydrogen peroxide (99.22 %) tests. It also showed 65.23 % inhibition at 1.0 mg/ml in the ferric thiocyanate test. AC also inhibited microbial growth significantly when compared with gentamicin and tioconazole which are antibacterial and antifungal standards respectively. The presence of Chrysen-2-ol derivative in L. aestuans which was non-toxic and possessed significant antimicrobial and antioxidant activities supports its ethno medicinal application. PMID:27092035

Chiral Tagging of Verbenone with 3-BUTYN-2-OL for Establishing Absolute Configuration and Determining Enantiomeric Excess

NASA Astrophysics Data System (ADS)

Evangelisti, Luca; Mayer, Kevin J.; Holdren, Martin S.; Smart, Taylor; West, Channing; Pate, Brooks; Sedo, Galen; Marshall, Frank E.; Grubbs, G. S., II

2017-06-01

Chiral analysis of a commercial sample of (1S)-(-)-verbenone has been performed using the chiral tag approach. The chirped-pulse Fourier transform microwave spectrum of the verbenone-butynol complex is measured in the 2-8 GHz frequency range. Verbenone is placed in a nozzle reservoir heated to 333K (about 1 Torr vapor pressure). The complex is formed by using a carrier gas of neon with approximately 0.1% butynol. The expansion pressure is about 2 atm. A measurement using racemic butynol is performed to identify isomers of both diastereomer complexes. Quantum chemistry calculations using the B3LYP-D3BJ method with the def2TZVP basis set provided estimated spectroscopic constants for the homochiral and heterochiral complexes. This analysis included 8 isomers for each diastereomer. Four rotational spectra are identified for isomers of the homochiral complex and correspond to the four lowest energy isomers from the theoretical study. Three heterochiral complexes are identified and also correspond to the lowest energy isomers from theory. Subsequent measurements were made with enantiopure tag (both (R)-(+)-3-buty-2-nol and (S)-(-)-3-butyn-2-ol) to establish the absolute configuration of verbenone. The sensitivity of the measurement was sufficient to perform ^{13}C-isotopologue analysis of three of the homochiral complexes and two of the heterochiral complexes. These results provide definitive structures of verbenone with correct stereochemistry. The commercial sample has relatively low enantiomeric excess with the certificate of analysis reporting an EE of 53.6%. Using the intensities of assigned transitions of the chiral tag complexes, the enantiomeric excess was determined from the broadband rotational spectrum through the ratio of the intensities of pairs of transitions. A total of 2617 pairs of transitions were analyzed. The average EE was found to be 53.6% with a standard deviation of 2%.

Biosynthesis of 2-methyl-3-buten-2-ol emitted from needles of Pinus ponderosa via the non-mevalonate DOXP/MEP pathway of isoprenoid formation.

PubMed

Zeidler, J; Lichtenthaler, H K

2001-06-01

The volatile hemiterpene 2-methyl-3-buten-2-ol (MBO) is emitted from the needles of several pine species from the Western United States and contributes to ozone formation in the atmosphere. It is synthesised enzymatically from dimethylallyl diphosphate (DMAPP). We show here that needles of Pinus ponderosa Laws. incorporated [1-2H1]-1-deoxy-D-xylulose (d-DOX) into the emitted MBO, but not D,L-[2-13C]mevalonic acid lactone. Furthermore, MBO emission was inhibited by fosmidomycin, a specific inhibitor of the second enzyme of the mevalonate-independent pathway of isopentenyl diphosphate and DMAPP formation, i.e. the 1-deoxy-D-xylulose 5-phosphate/2-C-methyl-D-erythritol 4-phosphate (DOXP/MEP) pathway. We thus prove that MBO emitted from needles of P. ponderosa is primarily formed via the DOXP/MEP pathway.

Antioxidant activity and polyphenol content of green tea flavan-3-ols and oligomeric proanthocyanidins.

PubMed

Molan, Abdul L; De, Shampa; Meagher, Lucy

2009-09-01

The antioxidant activity and total phenolics content (TPC) of freshly prepared green tea extract (GTE) as affected by time, temperature and stirring were determined using the ferric reducing antioxidant power (FRAP) and Folin-Ciocalteu assays, respectively. Acetone-water fractions of GTE containing flavan-3-ols and oligomeric proanthocyanidins were evaluated at concentrations between 25 and 500 µg/ml. Increasing the extraction time from 3 min to 10 min resulted in a significant increase in both the FRAP values and TPC. Increasing the extraction time from 10 min to 30 min was without any significant effects on both FRAP and TPC values. Moreover, the FRAP values were correlated with the TPC. GTE fractions had widely different FRAP values that were well correlated with the TPC of the fraction. It was concluded that brewing conditions such as extraction temperature, period of extraction, ratio of tea leaves to extracting water, and stirring are important factors for determining the FRAP values and TPC in GTE. These factors should be taken into consideration during preparation for nutritional benefits during usual consumption of this beverage. Elevated FRAP and TPC values corresponded to those GTE fractions with a higher amount of phenolic compounds, which have stronger antioxidant activities.

rac-(S,S)-Bis(1-ferrocenylbut-3-en-yl) ether.

PubMed

Xie, Hao-Jun; Zhao, Chun-Zheng; Sun, Jun; Chen, Si; Wang, Jian-Jun

2013-01-01

The title complex, [Fe2(C5H5)2(C18H20O)], formed by dehydration of 1-ferrocenylbut-3-en-1-ol, crystallizes as a racemic compound. The central C-O-C fragment, in which the C atoms are the chiral centers, is characterized by an angle of 116.26 (10)° at the O atom. One ferrocene group shows a staggered conformation whereas the other shows an eclipsed conformation.

Impact of fermentation, drying, roasting and Dutch processing on flavan-3-ol stereochemistry in cacao beans and cocoa ingredients

PubMed Central

2011-01-01

This paper reports a systematic study of the level of flavan-3-ol monomers during typical processing steps as cacao beans are dried, fermented and roasted and the results of Dutch-processing. Methods have been used that resolve the stereoisomers of epicatechin and catechin. In beans harvested from unripe and ripe cacao pods, we find only (-)-epicatechin and (+)-catechin with (-)-epicatechin being by far the predominant isomer. When beans are fermented there is a large loss of both (-)-epicatechin and (+)-catechin, but also the formation of (-)-catechin. We hypothesize that the heat of fermentation may, in part, be responsible for the formation of this enantiomer. When beans are progressively roasted at conditions described as low, medium and high roast conditions, there is a progressive loss of (-)-epicatechin and (+)-catechin and an increase in (-)-catechin with the higher roast levels. When natural and Dutch-processed cacao powders are analyzed, there is progressive loss of both (-)-epicatechin and (+)-catechin with lesser losses of (-)-catechin. We thus observe that in even lightly Dutch-processed powder, the level of (-)-catechin exceeds the level of (-)-epicatechin. The results indicate that much of the increase in the level of (-)-catechin observed during various processing steps may be the result of heat-related epimerization from (-)-epicatechin. These results are discussed with reference to the reported preferred order of absorption of (-)-epicatechin > (+)-catechin > (-)-catechin. These results are also discussed with respect to the balance that must be struck between the beneficial impact of fermentation and roasting on chocolate flavor and the healthful benefits of chocolate and cocoa powder that result in part from the flavan-3-ol monomers. PMID:21917164

Impact of fermentation, drying, roasting and Dutch processing on flavan-3-ol stereochemistry in cacao beans and cocoa ingredients.

PubMed

Hurst, W Jeffrey; Krake, Susann H; Bergmeier, Stephen C; Payne, Mark J; Miller, Kenneth B; Stuart, David A

2011-09-14

This paper reports a systematic study of the level of flavan-3-ol monomers during typical processing steps as cacao beans are dried, fermented and roasted and the results of Dutch-processing. Methods have been used that resolve the stereoisomers of epicatechin and catechin. In beans harvested from unripe and ripe cacao pods, we find only (-)-epicatechin and (+)-catechin with (-)-epicatechin being by far the predominant isomer. When beans are fermented there is a large loss of both (-)-epicatechin and (+)-catechin, but also the formation of (-)-catechin. We hypothesize that the heat of fermentation may, in part, be responsible for the formation of this enantiomer. When beans are progressively roasted at conditions described as low, medium and high roast conditions, there is a progressive loss of (-)-epicatechin and (+)-catechin and an increase in (-)-catechin with the higher roast levels. When natural and Dutch-processed cacao powders are analyzed, there is progressive loss of both (-)-epicatechin and (+)-catechin with lesser losses of (-)-catechin. We thus observe that in even lightly Dutch-processed powder, the level of (-)-catechin exceeds the level of (-)-epicatechin. The results indicate that much of the increase in the level of (-)-catechin observed during various processing steps may be the result of heat-related epimerization from (-)-epicatechin. These results are discussed with reference to the reported preferred order of absorption of (-)-epicatechin > (+)-catechin > (-)-catechin. These results are also discussed with respect to the balance that must be struck between the beneficial impact of fermentation and roasting on chocolate flavor and the healthful benefits of chocolate and cocoa powder that result in part from the flavan-3-ol monomers.

Antibacterial Activity of 1-[(2,4-Dichlorophenethyl)amino]-3-Phenoxypropan-2-ol against Antibiotic-Resistant Strains of Diverse Bacterial Pathogens, Biofilms and in Pre-clinical Infection Models.

PubMed

Defraine, Valerie; Verstraete, Laure; Van Bambeke, Françoise; Anantharajah, Ahalieyah; Townsend, Eleanor M; Ramage, Gordon; Corbau, Romu; Marchand, Arnaud; Chaltin, Patrick; Fauvart, Maarten; Michiels, Jan

2017-01-01

We recently described the novel anti-persister compound 1-[(2,4-dichlorophenethyl)amino]-3-phenoxypropan-2-ol (SPI009), capable of directly killing persister cells of the Gram-negative pathogen Pseudomonas aeruginosa . This compound also shows antibacterial effects against non-persister cells, suggesting that SPI009 could be used as an adjuvant for antibacterial combination therapy. Here, we demonstrate the broad-spectrum activity of SPI009, combined with different classes of antibiotics, against the clinically relevant ESKAPE pathogens Enterobacter aerogenes, Staphylococcus aureus, Klebsiella pneumoniae, Acinetobacter baumannii, P. aeruginosa, Enterococcus faecium and Burkholderia cenocepacia and Escherichia coli . Importantly, SPI009 re-enabled killing of antibiotic-resistant strains and effectively lowered the required antibiotic concentrations. The clinical potential was further confirmed in biofilm models of P. aeruginosa and S. aureus where SPI009 exhibited effective biofilm inhibition and eradication. Caenorhabditis elegans infected with P. aeruginosa also showed a significant improvement in survival when SPI009 was added to conventional antibiotic treatment. Overall, we demonstrate that SPI009, initially discovered as an anti-persister molecule in P. aeruginosa , possesses broad-spectrum activity and is highly suitable for the development of antibacterial combination therapies in the fight against chronic infections.

Antibacterial Activity of 1-[(2,4-Dichlorophenethyl)amino]-3-Phenoxypropan-2-ol against Antibiotic-Resistant Strains of Diverse Bacterial Pathogens, Biofilms and in Pre-clinical Infection Models

PubMed Central

Defraine, Valerie; Verstraete, Laure; Van Bambeke, Françoise; Anantharajah, Ahalieyah; Townsend, Eleanor M.; Ramage, Gordon; Corbau, Romu; Marchand, Arnaud; Chaltin, Patrick; Fauvart, Maarten; Michiels, Jan

2017-01-01

We recently described the novel anti-persister compound 1-[(2,4-dichlorophenethyl)amino]-3-phenoxypropan-2-ol (SPI009), capable of directly killing persister cells of the Gram-negative pathogen Pseudomonas aeruginosa. This compound also shows antibacterial effects against non-persister cells, suggesting that SPI009 could be used as an adjuvant for antibacterial combination therapy. Here, we demonstrate the broad-spectrum activity of SPI009, combined with different classes of antibiotics, against the clinically relevant ESKAPE pathogens Enterobacter aerogenes, Staphylococcus aureus, Klebsiella pneumoniae, Acinetobacter baumannii, P. aeruginosa, Enterococcus faecium and Burkholderia cenocepacia and Escherichia coli. Importantly, SPI009 re-enabled killing of antibiotic-resistant strains and effectively lowered the required antibiotic concentrations. The clinical potential was further confirmed in biofilm models of P. aeruginosa and S. aureus where SPI009 exhibited effective biofilm inhibition and eradication. Caenorhabditis elegans infected with P. aeruginosa also showed a significant improvement in survival when SPI009 was added to conventional antibiotic treatment. Overall, we demonstrate that SPI009, initially discovered as an anti-persister molecule in P. aeruginosa, possesses broad-spectrum activity and is highly suitable for the development of antibacterial combination therapies in the fight against chronic infections. PMID:29312259

Anticancer activity of flavonol and flavan-3-ol rich extracts from Croton celtidifolius latex.

PubMed

Biscaro, Fernanda; Parisotto, Eduardo Benedetti; Zanette, Vanilde Citadini; Günther, Tania Mara Fischer; Ferreira, Eduardo Antonio; Gris, Eliana Fortes; Correia, João Francisco Gomes; Pich, Claus Tröger; Mattivi, Fulvio; Filho, Danilo Wilhelm; Pedrosa, Rozangela Curi

2013-06-01

Croton celtidifolius Baill (Euphorbiaceae) is a tree found in the Atlantic Forest in Southern Brazil, where it is commonly known as "Sangue-de-Dragão". Its red latex is used traditionally for treating ulcers, diabetes and cancer. To evaluate antitumor activities of Croton celtififolius latex in vitro and in vivo. Phytochemical analyses were conducted using HPLC-DAD-MS. Cytotoxic, nuclease and pro-apoptotic properties were determined using the tetrazolium salt assay (MTT), plasmid DNA damage assay and ethidium bromide (EB)/acridine orange methods, respectively, and antitumor activity was determined in the Ehrlich ascites carcinoma (EAC) mouse model. Phytochemical studies indicated a high phenol content of flavonols (45.67 ± 0.24 and 18.01 ± 0.23 mg/mL of myricetin and quercetin, respectively) and flavan-3-ols (114.12 ± 1.84 and 1527.41 ± 16.42 mg/L of epicatechin and epigallocatechin, respectively) in latex. These compounds reduced MCF-7 and EAC cell viability in the MTT assay (IC50 = 169.0 ± 1.8 and 187.0 ± 2.2 μg/mL, respectively). Latex compounds caused significant DNA fragmentation and increased the number of apoptotic cells (negative control (NC), 12%; latex, 41%) as indicated by differential staining in the EB/acridine orange assay. The in vivo latex treatment at 3.12 mg/kg/day reduced the body weight by 7.57 ± 2.04 g and increased median survival time to 17.5 days when compared to the NC group (13.0 days). In addition, the highest latex concentration inhibited tumor growth by 56%. These results agree with ethno-pharmacological reports showing cytotoxicity and antitumor activity of C. celtidifolius latex. The mechanism of antitumor action may be related to direct DNA fragmentation that reduces survival and induces apoptosis.

BJ-3105, a 6-Alkoxypyridin-3-ol Analog, Impairs T Cell Differentiation and Prevents Experimental Autoimmune Encephalomyelitis Disease Progression

PubMed Central

Timilshina, Maheshwor; Kang, Youra; Dahal, Ishmit; You, Zhiwei; Nam, Tae-gyu; Kim, Keuk-Jun

2017-01-01

CD4+ T cells are essential in inflammation and autoimmune diseases. Interferon-γ (IFN-γ) secreting T helper (Th1) and IL-17 secreting T helper (Th17) cells are critical for several autoimmune diseases. To assess the inhibitory effect of a given compound on autoimmune disease, we screened many compounds with an in vitro Th differentiation assay. BJ-3105, a 6-alkoxypyridin-3-ol analog, inhibited IFN-γ and IL-17 production from polyclonal CD4+ T cells and ovalbumin (OVA)-specific CD4+ T cells which were activated by T cell receptor (TCR) engagement. BJ-3105 ameliorated the experimental autoimmune encephalomyelitis (EAE) model by reducing Th1 and Th17 generation. Notably, Th cell differentiation was significantly suppressed by BJ-3105 treatment without inhibiting in vitro proliferation of T cells or inducing programmed cell death. Mechanistically, BJ-3105 inhibited the phosphorylation of JAK and its downstream signal transducer and activator of transcription (STAT) that is critical for Th differentiation. These results demonstrated that BJ-3105 inhibits the phosphorylation of STAT in response to cytokine signals and subsequently suppressed the differentiation of Th cell responses. PMID:28095433

2,6-Diiminopiperidin-1-ol: an overlooked motif relevant to uranyl and transition metal binding on poly(amidoxime) adsorbents

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kennedy, Zachary C.; Cardenas, Allan Jay P.; Corbey, Jordan F.

2016-01-01

Glutardiamidoxime, a structural motif on sorbents used in uranium extraction from seawater, was discovered to cyclize in situ at room temperature to 2,6-diimino-piperidin-1-ol in the presence of uranyl nitrate. The new diimino motif was also generated when exposed to competing transition metals Cu(II) and Ni(II). Multinuclear μ-O bridged U(VI), Cu(II), and Ni(II) complexes featuring bound diimino ligands were isolated. A Cu(II) complex with the historically relevant cyclic imide dioxime motif is also reported for structural comparison to the reported diimino complexes.

Synthesis and conformation analysis of 3-substituted derivatives of 1H,3H-pyrido[2,3-d] pyrimidin-4-one of expected depressive nervous system. Part III.

PubMed

Chodkowski, Andrzej; Herold, Franciszek; Kleps, Jerzy

2004-01-01

Four series of new 1-aryl (heteroaryl) piperazinylacetyl derivatives of 1H,3H-pyrido[2,3-d] pyrimidin-4-one VIIa-o were synthesised. Substrates for the synthesis of VIa-d were obtained from the respective 3H-pyrido[2.3-d]pyrimidines IVa-d in the reaction with NaBH4. Compounds VIa-d were prepared by chloroacetylation. The obtained 1-chloroacetyl derivatives in the reaction with respective aryl (heteroaryl) piperazine formed 1-aminoacetyl derivatives of 2-phenyl-1 H.3H-pyrido[2.3-d]pyrimidin-4-one compounds VII1a-n. The structure ol compounds was analysed by 1H, 13C NMR spectroscopy.

Chronic Ingestion of Flavan-3-ols and Isoflavones Improves Insulin Sensitivity and Lipoprotein Status and Attenuates Estimated 10-Year CVD Risk in Medicated Postmenopausal Women With Type 2 Diabetes

PubMed Central

Curtis, Peter J.; Sampson, Mike; Potter, John; Dhatariya, Ketan; Kroon, Paul A.; Cassidy, Aedín

2012-01-01

OBJECTIVE To assess the effect of dietary flavonoids on cardiovascular disease (CVD) risk in postmenopausal women with type 2 diabetes on established statin and hypoglycemic therapy. RESEARCH DESIGN AND METHODS Despite being medicated, patients with type 2 diabetes have elevated CVD risk, particularly postmenopausal women. Although dietary flavonoids have been shown to reduce CVD risk factors in healthy participants, no long-term trials have examined the additional benefits of flavonoids to CVD risk in medicated postmenopausal women with type 2 diabetes. We conducted a parallel-design, placebo-controlled trial with type 2 diabetic patients randomized to consume 27 g/day (split dose) flavonoid-enriched chocolate (containing 850 mg flavan-3-ols [90 mg epicatechin] and 100 mg isoflavones [aglycone equivalents)]/day) or matched placebo for 1 year. RESULTS Ninety-three patients completed the trial, and adherence was high (flavonoid 91.3%; placebo 91.6%). Compared with the placebo group, the combined flavonoid intervention resulted in a significant reduction in estimated peripheral insulin resistance (homeostasis model assessment of insulin resistance [HOMA-IR] −0.3 ± 0.2; P = 0.004) and improvement in insulin sensitivity (quantitative insulin sensitivity index [QUICKI] 0.003 ± 0.00; P = 0.04) as a result of a significant decrease in insulin levels (−0.8 ± 0.5 mU/L; P = 0.02). Significant reductions in total cholesterol:HDL-cholesterol (HDL-C) ratio (−0.2 ± 0.1; P = 0.01) and LDL-cholesterol (LDL-C) (−0.1 ± 0.1 mmol/L; P = 0.04) were also observed. Estimated 10-year total coronary heart disease risk (derived from UK Prospective Diabetes Study algorithm) was attenuated after flavonoid intervention (flavonoid +0.1 ± 0.3 vs. placebo 1.1 ± 0.3; P = 0.02). No effect on blood pressure, HbA1c, or glucose was observed. CONCLUSIONS One-year intervention with flavan-3-ols and isoflavones improved biomarkers of CVD risk, highlighting the additional benefit of

TGFβ signaling regulates the timing of CNS myelination by modulating oligodendrocyte progenitor cell cycle exit through SMAD3/4/FoxO1/Sp1.

PubMed

Palazuelos, Javier; Klingener, Michael; Aguirre, Adan

2014-06-04

Research on myelination has focused on identifying molecules capable of inducing oligodendrocyte (OL) differentiation in an effort to develop strategies that promote functional myelin regeneration in demyelinating disorders. Here, we show that transforming growth factor β (TGFβ) signaling is crucial for allowing oligodendrocyte progenitor (OP) cell cycle withdrawal, and therefore, for oligodendrogenesis and postnatal CNS myelination. Enhanced oligodendrogenesis and subcortical white matter (SCWM) myelination was detected after TGFβ gain of function, while TGFβ receptor II (TGFβ-RII) deletion in OPs prevents their development into mature myelinating OLs, leading to SCWM hypomyelination in mice. TGFβ signaling modulates OP cell cycle withdrawal and differentiation through the transcriptional modulation of c-myc and p21 gene expression, mediated by the interaction of SMAD3/4 with Sp1 and FoxO1 transcription factors. Our study is the first to demonstrate an autonomous and crucial role of TGFβ signaling in OL development and CNS myelination, and may provide new avenues in the treatment of demyelinating diseases. Copyright © 2014 the authors 0270-6474/14/347917-14$15.00/0.

Metabolic study of androsta-1,4,6-triene-3,17-dione in horses using liquid chromatography/high resolution mass spectrometry.

PubMed

Kwok, Wai Him; Leung, Gary N W; Wan, Terence S M; Curl, Peter; Schiff, Peter J

2015-08-01

Androsta-1,4,6-triene-3,17-dione (ATD) is an irreversible steroidal aromatase inhibitor and is marketed as a supplement. It has been reported to effectively reduce estrogen biosynthesis and significantly increase the levels of endogenous steroids such as dihydrotestosterone and testosterone in human. ATD abuses have been reported in human sports. Its metabolism in human has been studied, and the in vitro metabolic study of ATD in horses has been reported, however, little is known about its biotransformation and elimination in horses. This paper describes the in vitro and in vivo metabolism studies of ATD in horses, with an objective of identifying the target metabolites with the longest detection time for controlling ATD abuse. In vitro metabolism studies of ATD were performed using homogenized horse liver. ATD was found to be extensively metabolized, and its metabolites could not be easily characterized by gas chromatography/mass spectrometry (GC/MS) due to insufficient sensitivity. Liquid chromatography/high resolution mass spectrometry (LC/HRMS) was therefore employed for the identification of in vitro metabolites. The major biotransformations observed were combinations of reduction of the olefin groups and/or the keto group at either C3 or C17 position. In addition, mono-hydroxylation in the D-ring was observed along with reduction of the olefin groups and/or the keto group at C17 position. Fourteen in vitro metabolites, including two epimers of androsta-1,4,6-trien-17-ol-3-one (M1a, M1b), androsta-4,6-diene-3,17-dione (M2), boldione (M3), androsta-4,6-diene-17β-ol-3-one (M4), androsta-4,6-diene-3-ol-17-one (M5), boldenone and epi-boldenone (M6a, M6b), four stereoisomers of hydroxylated androsta-1,4,6-trien-17-ol-3-one (M7a to M7d), and two epimers of androsta-1,4-diene-16α,17-diol (M8a, M8b), were identified. The identities of all metabolites, except M1a, M5, M7a to M7d, were confirmed by matching with authentic reference standards using LC/HRMS. For the in

Synthesis, X-ray crystallography, spectroscopic (FT-IR, 1H &13C NMR and UV), computational (DFT/B3LYP) and enzymes inhibitory studies of 7-hydroximinocholest-5-en-3-ol acetate

NASA Astrophysics Data System (ADS)

Ahmad, Faheem; Parveen, Mehtab; Alam, Mahboob; Azaz, Shaista; Malla, Ali Mohammed; Alam, Mohammad Jane; Lee, Dong-Ung; Ahmad, Shabbir

2016-07-01

The present study reports the synthesis of 7-Hydroximinocholest-5-en-3-ol acetate (syn. 3β-acetoxycholest-5-en-7-one oxime; in general, steroidal oxime). The identity of steroidal molecule was confirmed by NMR, FT-IR, MS, CHN microanalysis and X-ray crystallography. DFT calculations on the titled molecule have been performed. The molecular structure and spectra interpreted by Gaussian hybrid computational analysis theory (B3LYP) are found to be in good correlation with the experimental data obtained from the various spectrophotometric techniques. The vibrational bands appearing in the FTIR are assigned with great accuracy using harmonic frequencies along with intensities and animated modes. Molecular properties like HOMO-LUMO analysis, chemical reactivity descriptors, MEP mapping, dipole moment and natural atomic charges have been presented at the same level of theory. Moreover, the Hirshfeld analysis was carried out to ascertain the secondary interactions and associated 2D fingerprint plots. The percentages of various interactions are pictorialized by fingerprint plots of Hirshfeld surface. Steroidal oxime exhibited promising inhibitory activity against acetylcholinesterase (AChE) as compared to the reference drug, tacrine. Molecular docking was performed to introduce steroidal molecules into the X-ray crystal structures of acetylcholinesterase at the active site to find out the probable binding mode. The results of molecular docking admitted that steroidal oxime may exhibit enzyme inhibitor activity.

Ch'ol nomenclature for soil classification in the ejido Oxolotán, Tacotalpa, Tabasco, México.

PubMed

Sánchez-Hernández, Rufo; Méndez-De la Cruz, Lucero; Palma-López, David J; Bautista-Zuñiga, Francisco

2018-05-30

The traditional ecological knowledge of land of the Ch'ol originary people from southeast Mexico forms part of their cultural identity; it is local and holistic and implies an integrated physical and spiritual worldview that contributes to improve their living conditions. We analyzed the nomenclature for soil classification used in the Mexican state of Tabasco by the Ch'ol farmers with the objective of contributing to the knowledge of the Maya soil classification. A map of the study area was generated from the digital database of parcels in the ejido Oxolotán in the municipality of Tacotalpa, to which a geopedological map was overlaid in order to obtain modeled topographic profiles (Zavala-Cruz et al., Ecosistemas y Recursos Agropecuarios 3:161-171, 2016). In each modeled profile, a soil profile was made and classified according to IUSS Working Group WRB (181, 2014) in order to generate a map of soil groups, which was used to survey the study area with the participation of 245 local Ch'ol farmers for establishing an ethnopedological soil classification (Ortiz et al.: 62, 1990). In addition, we organized a participatory workshop with 35 people to know details of the names of the soils and their indicators of fertility and workability, from which we selected 15 participants for field trips and description of soil profiles. The color, texture, and stoniness are attributes important in the Ch'ol nomenclature, although the names do not completely reflect the visible characteristic of the soil surface. On the other hand, the mere presence of stones is sufficient to name a land class, while according to IUSS Working Group WRB (181, 2014), a certain amount and distribution of stones in the soil profiles is necessary to be taken into consideration in the name. Perception of soil quality by local farmers considers the compaction or hardness of the cultivable soil layer, because of which black or sandy soils are perceived as better for cultivation of banana, or as secondary

Evaluating the antimicrobial, apoptotic, and cancer cell gene delivery properties of protein-capped gold nanoparticles synthesized from the edible mycorrhizal fungus Tricholoma crassum

NASA Astrophysics Data System (ADS)

Basu, Arpita; Ray, Sarmishtha; Chowdhury, Supriyo; Sarkar, Arnab; Mandal, Deba Prasad; Bhattacharjee, Shamee; Kundu, Surekha

2018-05-01

Biosynthesis of gold nanoparticles of distinct geometric shapes with highly functional protein coats without additional capping steps is rarely reported. This study describes green synthesis of protein-coated gold nanoparticles for the first time from the edible, mycorrhizal fungus Tricholoma crassum (Berk.) Sacc . The nanoparticles were of the size range 5-25 nm and of different shapes. Spectroscopic analysis showed red shift of the absorption maxima with longer reaction period during production and blue shift with increase in pH. These were characterized with spectroscopy, SEM, TEM, AFM, XRD, and DLS. The particle size could be altered by changing synthesis parameters. These had potent antimicrobial activity against bacteria, fungi, and multi-drug-resistant pathogenic bacteria. These also had inhibitory effect on the growth kinetics of bacteria and germination of fungal spores. These showed apoptotic properties on eukaryotic cells when tested with comet assays. Moreover, the particles are capped with a natural 40 kDa protein which was utilized as attachment sites for genes to be delivered into sarcoma cancer cells. The present work also attempted at optimizing safe dosage of these nanoparticles using hemolysis assays, for application in therapy. Large-scale production of the nanoparticles in fermentors and other possible applications of the particles have been discussed.

On the calibration process of film dosimetry: OLS inverse regression versus WLS inverse prediction.

PubMed

Crop, F; Van Rompaye, B; Paelinck, L; Vakaet, L; Thierens, H; De Wagter, C

2008-07-21

The purpose of this study was both putting forward a statistically correct model for film calibration and the optimization of this process. A reliable calibration is needed in order to perform accurate reference dosimetry with radiographic (Gafchromic) film. Sometimes, an ordinary least squares simple linear (in the parameters) regression is applied to the dose-optical-density (OD) curve with the dose as a function of OD (inverse regression) or sometimes OD as a function of dose (inverse prediction). The application of a simple linear regression fit is an invalid method because heteroscedasticity of the data is not taken into account. This could lead to erroneous results originating from the calibration process itself and thus to a lower accuracy. In this work, we compare the ordinary least squares (OLS) inverse regression method with the correct weighted least squares (WLS) inverse prediction method to create calibration curves. We found that the OLS inverse regression method could lead to a prediction bias of up to 7.3 cGy at 300 cGy and total prediction errors of 3% or more for Gafchromic EBT film. Application of the WLS inverse prediction method resulted in a maximum prediction bias of 1.4 cGy and total prediction errors below 2% in a 0-400 cGy range. We developed a Monte-Carlo-based process to optimize calibrations, depending on the needs of the experiment. This type of thorough analysis can lead to a higher accuracy for film dosimetry.

Facile Purification of Milligram to Gram Quantities of Condensed Tannins According to Mean Degree of Polymerization and Flavan-3-ol Subunit Composition.

PubMed

Brown, Ron H; Mueller-Harvey, Irene; Zeller, Wayne E; Reinhardt, Laurie; Stringano, Elisabetta; Gea, An; Drake, Christopher; Ropiak, Honorata M; Fryganas, Christos; Ramsay, Aina; Hardcastle, Emily E

2017-09-13

Unambiguous investigation of condensed tannin (CT) structure-activity relationships in biological systems requires well-characterized, high-purity CTs. Sephadex LH-20 and Toyopearl HW-50F resins were compared for separating CTs from acetone/water extracts, and column fractions analyzed for flavan-3-ol subunits, mean degree of polymerization (mDP), and purity. Toyopearl HW-50F generated fractions with higher mDP values and better separation of procyanidins (PC) and prodelphinidins (PD) but required a prepurification step, needed more time for large scale purifications, and gave poorer recoveries. Therefore, two gradient elution schemes were developed for CT purification on Sephadex LH-20 providing 146-2000 mg/fraction. Fractions were analyzed by thiolysis and NMR spectroscopy. In general, PC/PD ratios decreased and mDP increased during elution. 1 H NMR spectroscopy served as a rapid screening tool to qualitatively determine CT enrichment and carbohydrate impurities present, guiding fractionation toward repurification or 1 H- 13 C HSQC NMR spectroscopy and thiolysis. These protocols provide options for preparing highly pure CT samples.

The last interglaciation at Owens Lake, California; Core OL-92

USGS Publications Warehouse

Bischoff, James L.

1998-01-01

Owens Lake, located at the eastern base of the central Sierra Nevada (Fig. 1), was the terminus of the Owens River prior to the lake's complete desiccation shortly after 1913 due to river diversion by the City of Los Angeles. During earlier wetter cycles, the lake overflowed to fill a series of downstream basins including China Lake Basin, Searles Valley, Panamint Valley, and ultimately, Death Valley (Smith and Street-Perrott, 1983). In 1992 the U.S. Geological Survey drilled a 323-m-deep core (OL-92) into Owens Lake sediments near the depocenter of the basin to obtain a continuous record of silty-clay sediment spanning the last 800,000 yrs. A multi-parameter reconnaissance study of the entire core (ca 7000-yr resolution), was reported in a 13-chapter summary volume (Smith and Bischoff, 1997). A document containing the numerical and other detailed forms of raw data collected by that volume's authors was prepared earlier (Smith and Bischoff, 1993). The reconnaissance study provided an approximate time-depth model for the entire core, based on radiocarbon dates from the top 31m, the Bishop Ash (759,000 yrs) at 304 m, ten within-Brunhes paleomagnetic excursions, and a compaction-corrected mass-accumulation rate of 51.4 g/cm/l000yr (Bischoff et al., 1997a). Application of this model to observed sediment parameters indicates that Owens Lake was saline, alkaline, and biologically productive at times of decreased water-flow, and was generally hydrologically flushed and relatively unproductive during times of increased water-flow. Grain size, abundance of CaCO3, organic carbon, clay mineralogy, cation-exchange capacity of the clay fraction, fossil pollen, fish, ostracodes, and diatoms (see summary by Smith et al., 1997) all show cyclic variation down the core. CaCO3 abundance, in particular, strongly reflects an approximately 100 ka dominant cycle, characteristic of global ice-volume indicated by the MIS δ18O record. Four of the last five marine isotope terminations are

Functional overload increases beta-MHC promoter activity in rodent fast muscle via the proximal MCAT (betae3) site.

PubMed

Giger, Julia M; Haddad, Fadia; Qin, Anqi X; Baldwin, Kenneth M

2002-03-01

Functional overload (OL) of the rat plantaris muscle by the removal of synergistic muscles induces a shift in the myosin heavy chain (MHC) isoform expression profile from the fast isoforms toward the slow type I, or, beta-MHC isoform. Different length rat beta-MHC promoters were linked to a firefly luciferase reporter gene and injected in control and OL plantaris muscles. Reporter activities of -3,500, -914, -408, and -215 bp promoters increased in response to 1 wk of OL. The smallest -171 bp promoter was not responsive to OL. Mutation analyses of putative regulatory elements within the -171 and -408 bp region were performed. The -408 bp promoters containing mutations of the betae1, distal muscle CAT (MCAT; betae2), CACC, or A/T-rich (GATA), were still responsive to OL. Only the proximal MCAT (betae3) mutation abolished the OL response. Gel mobility shift assays revealed a significantly higher level of complex formation of the betae3 probe with nuclear protein from OL plantaris compared with control plantaris. These results suggest that the betae3 site functions as a putative OL-responsive element in the rat beta-MHC gene promoter.

Science Coordination in Support of the US Weather Research Program Office of the Lead Scientist (OLS) and for Coordination with the World Weather Research (WMO) Program

NASA Technical Reports Server (NTRS)

Gall, Robert

2005-01-01

This document is the final report of the work of the Office of the Lead Scientist (OLS) of the U.S. Weather Research Program (USWRP) and for Coordination of the World Weather Research Program (WWRP). The proposal was for a continuation of the duties and responsibilities described in the proposal of 7 October, 1993 to NSF and NOAA associated with the USWRP Lead Scientist then referred to as the Chief Scientist. The activities of the Office of the Lead Scientist (OLS) ended on January 31, 2005 and this report describes the activities undertaken by the OLS from February 1, 2004 until January 3 1, 2005. The OLS activities were under the cosponsorship of the agencies that are members of the Interagency Working Group (IWG) of the US WRP currently: NOAA, NSF, NASA, and DOD. The scope of the work described includes activities that were necessary to develop, facilitate and implement the research objectives of the USWRP consistent with the overall program goals and specific agency objectives. It included liaison with and promotion of WMO/WWW activities that were consistent with and beneficial to the USWRP programs and objectives. Funds covered several broad categories of activity including meetings convened by the Lead Scientist, OLS travel, partial salary and benefits support, publications, hard-copy dissemination of reports and program announcements and the development and maintenance of the USWRP website. In addition to funding covered by this grant, NCAR program funds provided co-sponsorship of half the salary and benefits resources of the USWRP Lead Scientist (.25 FTE) and the WWRP Chairman/Liaison (.167 FTE). Also covered by the grant were partial salaries for the Science Coordinator for the hurricane portion of the program and partial salary for a THORPEX coordinator.

Registration of 'TifNV-High O/L' Peanut

USDA-ARS?s Scientific Manuscript database

‘TifNV-High O/L’ is a runner-type peanut (Arachis hypogaea L. subsp. hypogaea var. hypogaea) cultivar released by the USDA-ARS and the Georgia Agricultural Experiment Station in 2014. TifNV-High O/L was developed at the University of Georgia Coastal Plain Experiment Station, Tifton, GA. Our researc...

Hexafluoroisopropyl alcohol mediated synthesis of 2,3-dihydro-4H-pyrido[1,2-a]pyrimidin-4-ones.

PubMed

Alam, Mohammad A; Alsharif, Zakeyah; Alkhattabi, Hessa; Jones, Derika; Delancey, Evan; Gottsponer, Adam; Yang, Tianhong

2016-11-02

An efficient synthesis of novel 2,3-dihydro-4H-pyrido[1,2-a]pyrimidin-4-ones has been reported. Inexpensive and readily available substrates, environmentally benign reaction condition, and product formation up to quantitative yield are the key features of this methodology. Products are formed by the aza-Michael addition followed by intramolecular acyl substitution in a domino process. The polar nature and strong hydrogen bond donor capability of 1,1,1,3,3,3-hexafluoropropan-2-ol is pivotal in this cascade protocol.

Hexafluoroisopropyl alcohol mediated synthesis of 2,3-dihydro-4H-pyrido[1,2-a]pyrimidin-4-ones

PubMed Central

Alam, Mohammad A.; Alsharif, Zakeyah; Alkhattabi, Hessa; Jones, Derika; Delancey, Evan; Gottsponer, Adam; Yang, Tianhong

2016-01-01

An efficient synthesis of novel 2,3-dihydro-4H-pyrido[1,2-a]pyrimidin-4-ones has been reported. Inexpensive and readily available substrates, environmentally benign reaction condition, and product formation up to quantitative yield are the key features of this methodology. Products are formed by the aza-Michael addition followed by intramolecular acyl substitution in a domino process. The polar nature and strong hydrogen bond donor capability of 1,1,1,3,3,3-hexafluoropropan-2-ol is pivotal in this cascade protocol. PMID:27805054

Synthesis of conformationally locked L-deoxythreosyl phosphonate nucleosides built on a bicyclo[3.1.0]hexane template.

PubMed

Saneyoshi, Hisao; Deschamps, Jeffrey R; Marquez, Victor E

2010-11-19

Two conformationally locked versions of l-deoxythreosyl phosphonate nucleosides (2 and 3) were synthesized to investigate the preference of HIV reverse transcriptase for a conformation displaying either a fully diaxial or fully diequatorial disposition of substituents. Synthesis of the enantiomeric 4-(6-amino-9H-purin-9-yl)bicyclo[3.1.0]hexan-2-ol carbocyclic nucleoside precursors (diaxially disposed) proceeded straightforwardly from commercially available (1R,4S)-4-hydroxy-2-cyclopent-2-enyl-1-yl acetate employing a hydroxyl-directed Simmons-Smith cyclopropanation that culminated with a Mitsunobu coupling of the purine base. For the more complicated 1-(6-amino-9H-purin-9-yl)bicyclo[3.1.0]hexan-3-ol carbocyclic nucleoside precursors (diequatorially disposed), the obligatory linear approach required the syntheses of key 1-aminobicyclo[3.1.0.]hexan-3-yl benzoate precursors that were assembled via the amide variant of the Kulinkovich reaction involving the intramolecular cyclopropanation of a substituted δ-vinylamide. Completion of the purine ring was achieved by conventional approaches but with much improved yields through the use of a microwave reactor. The syntheses of the phosphonates and the corresponding diphosphates were achieved by conventional means. None of the diphosphates, which were supposed to act as nucleoside triphosphate mimics, could compete with dATP even when present in a 10-fold excess.

Highly enantioselective reduction of 4-(trimethylsilyl)-3-butyn-2-one to enantiopure (R)-4-(trimethylsilyl)-3-butyn-2-ol using a novel strain Acetobacter sp. CCTCC M209061.

PubMed

Xiao, Zi-Jun; Zong, Min-Hua; Lou, Wen-Yong

2009-12-01

The biocatalytic reduction of 4-(trimethylsilyl)-3-butyn-2-one to enantiopure (R)-4-(trimethylsilyl)-3-butyn-2-ol was successfully conducted with high enantioselectivity using immobilized whole cells of a novel strain Acetobacter sp. CCTCC M209061, newly isolated from kefir. Compared with other microorganisms that were investigated, Acetobacter sp. CCTCC M209061 was shown to be more effective for the bioreduction reaction, and afforded much higher yield and product enantiomeric excess (e.e.). The optimal buffer pH, co-substrate concentration, reaction temperature, substrate concentration and shaking rate were 5.0, 130.6 mM, 30 degrees C, 6.0 mM and 180 r/min, respectively. Under the optimized conditions, the maximum yield and the product e.e. were 71% and >99%, respectively, which are much higher than those reported previously. Additionally, the established biocatalytic system proved to be efficient for the bioreduction of acetyltrimethylsilane to (R)-1-trimethylsilylethanol with excellent yield and product e.e. The immobilized cells manifested a good operational stability under the above reaction conditions since they retained 70% of their catalytic activity after ten cycles of use.

Secondary Organic Aerosol Formation from 2-Methyl-3-Buten-2-ol Photooxidation: Evidence of Acid-Catalyzed Reactive Uptake of Epoxides

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Haofei; Zhang, Zhenfa; Cui, Tianqu

2014-04-08

Secondary organic aerosol (SOA) formation from 2-methyl-3-buten-2-ol (MBO) photooxidation has recently been observed in both field and laboratory studies. Similar to isoprene, MBO-derived SOA increases with elevated aerosol acidity in the absence of nitric oxide; therefore, an epoxide intermediate, (3,3-dimethyloxiran-2-yl)methanol (MBO epoxide) was synthesized and tentatively proposed here to explain this enhancement. In the present study, the potential of the synthetic MBO epoxide to form SOA via reactive uptake was systematically examined. SOA was observed only in the presence of acidic aerosols. Major SOA constituents, 2,3-dihydroxyisopentanol (DHIP) and MBO-derived organosulfate isomers, were chemically characterized in both laboratory-generated SOA and inmore » ambient fine aerosols collected from the BEACHON-RoMBAS field campaign during summer 2011, where MBO emissions are substantial. Our results support epoxides as potential products of MBO photooxidation leading to formation of atmospheric SOA and suggest that reactive uptake of epoxides may generally explain acid enhancement of SOA observed from other biogenic hydrocarbons.« less

Emission of 2-methyl-3-buten-2-ol by pines: A potentially large natural source of reactive carbon to the atmosphere

NASA Astrophysics Data System (ADS)

Harley, Peter; Fridd-Stroud, Verity; Greenberg, James; Guenther, Alex; Vasconcellos, PéRola

1998-10-01

High rates of emission of 2-methyl-3-buten-2-ol (MBO) were measured from needles of several pine species. Emissions of MBO in the light were 1 to 2 orders of magnitude higher than emissions of monoterpenes and, in contrast to monoterpene emissions from pines, were absent in the dark. MBO emissions were strongly dependent on incident light, behaving similarly to net photosynthesis. Emission rates of MBO increased exponentially with temperature up to approximately 35°C. Above approximately 42°C, emission rates declined rapidly. Emissions could be modeled using existing algorithms for isoprene emission. We propose that emissions of MBO from lodgepole and ponderosa pine are the primary source of high concentrations of this compound, averaging 1-3 ppbv, found in ambient air samples collected in Colorado at an isolated mountain site approximately 3050 m above sea level. Subsequent field studies in a ponderosa pine plantation in California confirmed high MBO emissions, which averaged 25 μg C g-1 h-1 for 1-year-old needles, corrected to 30°C and photon flux of 1000 μmol m-2 s-1. A total of 34 pine species growing at Eddy Arboretum in Placerville, California, were investigated, of which 11 exhibited high emissions of MBO (>5 μg C g-1 h-1), and 6 emitted small but detectable amounts. All the emitting species are of North American origin, and most are restricted to western North America. These results indicate that MBO emissions from pines may constitute a significant source of reactive carbon and a significant source of acetone, to the atmosphere, particularly in the western United States.

Poverty assessment using DMSP/OLS night-time light satellite imagery at a provincial scale in China

NASA Astrophysics Data System (ADS)

Wang, Wen; Cheng, Hui; Zhang, Li

2012-04-01

All countries around the world and many international bodies, including the United Nations Development Program (UNDP), United Nations Food and Agricultural Organization (FAO), the International Fund for Agricultural Development (IFAD) and the International Labor Organization (ILO), have to eliminate rural poverty. Estimation of regional poverty level is a key issue for making strategies to eradicate poverty. Most of previous studies on regional poverty evaluations are based on statistics collected typically in administrative units. This paper has discussed the deficiencies of traditional studies, and attempted to research regional poverty evaluation issues using 3-year DMSP/OLS night-time light satellite imagery. In this study, we adopted 17 socio-economic indexes to establish an integrated poverty index (IPI) using principal component analysis (PCA), which was proven to provide a good descriptor of poverty levels in 31 regions at a provincial scale in China. We also explored the relationship between DMSP/OLS night-time average light index and the poverty index using regression analysis in SPSS and a good positive linear correlation was modelled, with R2 equal to 0.854. We then looked at provincial poverty problems in China based on this correlation. The research results indicated that the DMSP/OLS night-time light data can assist analysing provincial poverty evaluation issues.

Linkage isomerism in trimeric and polymeric 2,3-cis-procyanindins

Treesearch

Richard W. Hemingway; Lai Yeap Foo; Lawrence J. Porter

1982-01-01

Procyanindins polymers consist of chains of 5,7,3',4'-tetrahydroxyflavan-3-ol units linked by C(4)-C(6) or C(4)-C(8) bonds.1 Whereas the procyanidin-B group of dimers are known to exist as pairs of isomers with common flavan-3-ol units, but different interflavanoid linkages,2,3 the extent of such isomerism in...

Ol-Prx 3, a member of an additional class of homeobox genes, is unimodally expressed in several domains of the developing and adult central nervous system of the medaka (Oryzias latipes)

PubMed Central

Joly, Jean-Stephane; Bourrat, Franck; Nguyen, Van; Chourrout, Daniel

1997-01-01

Large-scale genetic screens for mutations affecting early neurogenesis of vertebrates have recently been performed with an aquarium fish, the zebrafish. Later stages of neural morphogenesis have attracted less attention in small fish species, partly because of the lack of molecular markers of developing structures that may facilitate the detection of discrete structural alterations. In this context, we report the characterization of Ol-Prx 3 (Oryzias latipes-Prx 3). This gene was isolated in the course of a large-scale screen for brain cDNAs containing a highly conserved DNA binding region, the homeobox helix-three. Sequence analysis revealed that this gene belongs to another class of homeobox genes, together with a previously isolated mouse ortholog, called OG-12 [Rovescalli, A. C., Asoh, S. & Nirenberg, M. (1996) Proc. Natl. Acad. Sci. USA 93, 10691–10696] and with the human SHOX gene [Rao, E., Weiss, B., Fukami, M., Rump, A., Niesler, B., et al. (1997) Nat. Genet. 16, 54–62], thought to be involved in the short-stature phenotype of Turner syndrome patients. These three genes exhibit a moderate level of identity in the homeobox with the other genes of the paired-related (PRX) gene family. Ol-Prx 3, as well as the PRX genes, are expressed in various cartilaginous structures of head and limbs. These genes might thus be involved in common regulatory pathways during the morphogenesis of these structures. Moreover, this paper reports a complex and monophasic pattern of Ol-Prx 3 expression in the central nervous system, which differs markedly from the patterns reported for the PRX genes, Prx 3 excluded: this gene begins to be expressed in a variety of central nervous system territories at late neurula stage. Strikingly, it remains turned on in some of the derivatives of each territory during the entire life of the fish. We hope this work will thus help identify common features for the PRX 3 family of homeobox genes. PMID:9371787

Investigation of the flavan-3-ol patterns in willow species during one growing-season.

PubMed

Wiesneth, Stefan; Aas, Gregor; Heilmann, Jörg; Jürgenliemk, Guido

2018-01-01

Flavonoids, proanthocyanidins (PAs) and salicylic alcohol derivatives are the main groups of ingredients in Salix needed as defensive tools and signal molecules, but have also pharmaceutical importance. The present study investigated total PA content, complete PA pattern, the oligomeric/total PAs quotient and the contents of catechin and epicatechin during one growing-season for the leaves and this year's sprouts in ten willows (Salix pentandra L. ♂, S. alba L. ♂, S. fragilis L. ♀, S. caprea L. ♂ & ♀, S. cinerea L. ♂, S. caprea x cinerea ♂, S. daphnoidesVill. ♂ & ♀ and S. purpurea L. ♀; all Salicaceae). Comparison of the different species revealed distinct seasonal fluctuations of the oligomeric and polymeric PA fractions, but the contents of both groups always developed in the same direction. All willows prefer the synthesis of PAs with DP-2 - DP-4 within the oligomeric fraction (DP-2 - DP-10) and species with rather low PA contents like S. purpurea (0.1-2.6 mg/g) as well as species with rather high PA contents like S. alba (3.8-14.7 mg/g) were found. Only slight gender specific differences could be observed for both sexes of S. daphnoides and S. caprea. The PA pattern of the hybrid S. caprea x cinerea seems to be influenced by both parents. Thus, the accumulation of the oligomeric PAs accorded to S. caprea and the polymeric PAs matched S. cinerea resulting in an overall depression of PAs in the sprouts and a varying seasonal trend in the leaves. In contrast, the content of catechin remained high and seemed to be not influenced in the hybrid. Although only one individual of each Salix species could be considered in this screening study, the present results demonstrate the variability of the flavan-3-ol pattern within the genus Salix but also some preliminary correlations could be observed. Future studies with more Salix species will provide more insights into chemotaxonomic correlations. Copyright © 2017 Elsevier Ltd. All rights

PI(3,5)P2 biosynthesis regulates oligodendrocyte differentiation by intrinsic and extrinsic mechanisms

PubMed Central

Mironova, Yevgeniya A; Lenk, Guy M; Lin, Jing-Ping; Lee, Seung Joon; Twiss, Jeffery L; Vaccari, Ilaria; Bolino, Alessandra; Havton, Leif A; Min, Sang H; Abrams, Charles S; Shrager, Peter; Meisler, Miriam H; Giger, Roman J

2016-01-01

Proper development of the CNS axon-glia unit requires bi-directional communication between axons and oligodendrocytes (OLs). We show that the signaling lipid phosphatidylinositol-3,5-bisphosphate [PI(3,5)P2] is required in neurons and in OLs for normal CNS myelination. In mice, mutations of Fig4, Pikfyve or Vac14, encoding key components of the PI(3,5)P2 biosynthetic complex, each lead to impaired OL maturation, severe CNS hypomyelination and delayed propagation of compound action potentials. Primary OLs deficient in Fig4 accumulate large LAMP1+ and Rab7+ vesicular structures and exhibit reduced membrane sheet expansion. PI(3,5)P2 deficiency leads to accumulation of myelin-associated glycoprotein (MAG) in LAMP1+perinuclear vesicles that fail to migrate to the nascent myelin sheet. Live-cell imaging of OLs after genetic or pharmacological inhibition of PI(3,5)P2 synthesis revealed impaired trafficking of plasma membrane-derived MAG through the endolysosomal system in primary cells and brain tissue. Collectively, our studies identify PI(3,5)P2 as a key regulator of myelin membrane trafficking and myelinogenesis. DOI: http://dx.doi.org/10.7554/eLife.13023.001 PMID:27008179

Identification of axillary Staphylococcus sp. involved in the production of the malodorous thioalcohol 3-methyl-3-sufanylhexan-1-ol.

PubMed

Bawdon, Daniel; Cox, Diana S; Ashford, David; James, A Gordon; Thomas, Gavin H

2015-08-01

The production of malodour by humans is mediated by bacterial transformation of naturally secreted, non-odorous molecules. Specifically in the underarm (axilla), malodour arises due to biotransformation by the microbiota of dipeptide-conjugated thioalcohols, particularly S-[1-(2-hydroxyethyl)-1-methylbutyl]-(L)-cysteinylglycine (Cys-Gly-3M3SH). This molecule, secreted by the axilla, has a well-established role in malodour when metabolized to free thioalcohol by bacteria. We present Cys-Gly-3M3SH biotransformation data from a library of skin-isolated corynebacteria and staphylococci and report a significant variation in thioalcohol generation across individual bacterial species. Staphylococcus hominis, Staphylococcus haemolyticus and Staphylococcus lugdunensis were particularly efficient Cys-Gly-3M3SH transformers. In contrast, Staphylococcus epidermidis and Corynebacterium tuberculostearicum, both highly prevalent axillary commensals, are low producers of 3M3SH. We also identify significant differences between the ability of several isolates to biotransform Cys-Gly-3M3SH compared to S-benzyl-L-Cys-Gly, a dipeptide-linked version of a commonly used malodour precursor substrate. Finally, using traditional biochemical assays we subsequently establish that Cys-Gly-3M3SH is actively transported into S. hominis, rather than passively diffusing across the membrane. This work significantly enhances our knowledge of Cys-Gly-3M3SH biotransformation by physiologically important bacteria in the axillary microbiota. © FEMS 2015. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

78 FR 64284 - Requested Administrative Waiver of the Coastwise Trade Laws: Vessel BIG OL; Invitation for Public...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-10-28

... Administrative Waiver of the Coastwise Trade Laws: Vessel BIG OL; Invitation for Public Comments AGENCY: Maritime....gov . SUPPLEMENTARY INFORMATION: As described by the applicant the intended service of the vessel BIG OL is: Intended Commercial Use of Vessel: ``Limited 6 or fewer charter.'' Geographic Region: ``New...

Cobalt(II) chloride adducts with acetonitrile, propan-2-ol and tetrahydrofuran: considerations on nuclearity, reactivity and synthetic applications.

PubMed

Stinghen, Danilo; Rüdiger, André Luis; Giese, Siddhartha O K; Nunes, Giovana G; Soares, Jaísa F; Hughes, David L

2017-02-01

High-spin cobalt(II) complexes are considered useful building blocks for the synthesis of single-molecule magnets (SMM) because of their intrinsic magnetic anisotropy. In this work, three new cobalt(II) chloride adducts with labile ligands have been synthesized from anhydrous CoCl 2 , to be subsequently employed as starting materials for heterobimetallic compounds. The products were characterized by elemental, spectroscopic (EPR and FT-IR) and single-crystal X-ray diffraction analyses. trans-Tetrakis(acetonitrile-κN)bis(tetrahydrofuran-κO)cobalt(II) bis[(acetonitrile-κN)trichloridocobaltate(II)], [Co(C 2 H 3 N) 4 (C 4 H 8 O) 2 ][CoCl 3 (C 2 H 3 N)] 2 , (1), comprises mononuclear ions and contains both acetonitrile and tetrahydrofuran (thf) ligands, The coordination polymer catena-poly[[tetrakis(propan-2-ol-κO)cobalt(II)]-μ-chlorido-[dichloridocobalt(II)]-μ-chlorido], [Co 2 Cl 4 (C 3 H 8 O) 4 ], (2'), was prepared by direct reaction between anhydrous CoCl 2 and propan-2-ol in an attempt to rationalize the formation of the CoCl 2 -alcohol adduct (2), probably CoCl 2 (HO i Pr) m . The binuclear complex di-μ-chlorido-1:2κ 4 Cl:Cl-dichlorido-2κ 2 Cl-tetrakis(tetrahydrofuran-1κO)dicobalt(II), [Co 2 Cl 4 (C 4 H 8 O) 4 ], (3), was obtained from (2) after recrystallization from tetrahydrofuran. All three products present cobalt(II) centres in both octahedral and tetrahedral environments, the former usually less distorted than the latter, regardless of the nature of the neutral ligand. Product (2') is stabilized by an intramolecular hydrogen-bond network that appears to favour a trans arrangement of the chloride ligands in the octahedral moiety; this differs from the cis disposition found in (3). The expected easy displacement of the bound solvent molecules from the metal coordination sphere makes the three compounds good candidates for suitable starting materials in a number of synthetic applications.

[Dichlorido (2-(2-(1H-benzo[d]thiazol-2-yl)hydrazono)propan-1-ol) Cu(II)]: Crystal structure, Hirshfeld surface analysis and correlation of its ESI-MS behavior with [Dichlorido 3-(hydroxyimino)-2-butanone-2-(1H-benzo[d]thiazol-2-yl)hydrazone Cu(II)

NASA Astrophysics Data System (ADS)

Kamat, Vinayak; Kumara, Karthik; Naik, Krishna; Kotian, Avinash; Netalkar, Priya; Shivalingegowda, Naveen; Neratur, Krishnappagowda Lokanath; Revankar, Vidyanand

2017-12-01

In the present work, Cu(II) complexes of 2-(2-benzo[d]thiazol-2-yl)hydrazono)propan-1-ol (L1) and 3-(hydroxyimino)-2-butanone-2-(1H-benzo[d]thiazol-2-yl)hydrazone (L2) are synthesized and characterized by various spectro-analytical techniques. The structure of Cu(II) complex of L1 i.e., [CuL1Cl2], is unambiguously determined by single crystal X-ray diffraction method. While similar efforts were unsuccessful in the case of Cu(II) complex of L2 i.e., [CuL2Cl2]. Hence, to avail the structural facts, various cationic/anionic fragments or adducts formed during positive/negative mode electrospray ionization (ESI) of CuL1Cl2 and CuL2Cl2 have been identified with the help of their charge, monoisotopic masses and isotopic distributions. The similarity in the ESI behavior of two complexes has inferred their structural resemblance, which is further supported by DFT optimized structures, EPR spectral studies and analytical measurements. The EPR spectral behavior (g|| > g⊥ > 2.02) of the complexes are attributed to an axial symmetry with the dx2-y2 ground state having square pyramidal Cu(II) ion. CuL1Cl2 has crystallized in monoclinic crystal system in P21/c space group. The molecular complex has ring-metal (Cg-Me) interactions of the type Cg···>Cu, which contributes to the crystal packing. The Cl⋯H (30.6%) interactions have the major contribution among all intermolecular contacts and have played a vital role in the stabilization of the molecular structure, which is extended to 3D network through Csbnd H···Cg and Cg-Cg interactions.

Synthesis, structural and conformational study of some esters derived from 3-methyl-3-azabicyclo[3.2.1]octan-8(α and β)-ols

NASA Astrophysics Data System (ADS)

Iriepa, I.; Bellanato, J.

2014-09-01

A series of α and β-esters bearing a 3-methyl-3-azabicyclo[3.2.1]octane moiety as well as methyl and aryl substituents were synthesized and studied by 1H and 13C NMR spectroscopies. In CDCl3 solution, at room temperature, a chair-envelope conformation for the bicycle moiety with the N-CH3 group in equatorial position with respect to the chair ring is proposed for both, α and β-esters. The chair conformation of the piperidine ring is puckered at C8 in the α-epimers and it is flattened at N3, in the β-epimers. Free rotation of the acyloxy group around the C8sbnd O bond has also been deduced. Analgesic activity of four of these substances was studied. 8β-Benzoyloxy-3-methyl-3-azabicyclo[3.2.1]octane demonstrated significant analgesic activity in the hot plate test compared to morphine. By measuring the rectal temperature in mice, results also showed a significant antipyretic activity of this compound.

Modelling urban growth in the Indo-Gangetic plain using nighttime OLS data and cellular automata

NASA Astrophysics Data System (ADS)

Roy Chowdhury, P. K.; Maithani, Sandeep

2014-12-01

The present study demonstrates the applicability of the Operational Linescan System (OLS) sensor in modelling urban growth at regional level. The nighttime OLS data provides an easy, inexpensive way to map urban areas at a regional scale, requiring a very small volume of data. A cellular automata (CA) model was developed for simulating urban growth in the Indo-Gangetic plain; using OLS data derived maps as input. In the proposed CA model, urban growth was expressed in terms of causative factors like economy, topography, accessibility and urban infrastructure. The model was calibrated and validated based on OLS data of year 2003 and 2008 respectively using spatial metrics measures and subsequently the urban growth was predicted for the year 2020. The model predicted high urban growth in North Western part of the study area, in south eastern part growth would be concentrated around two cities, Kolkata and Howrah. While in the middle portion of the study area, i.e., Jharkhand, Bihar and Eastern Uttar Pradesh, urban growth has been predicted in form of clusters, mostly around the present big cities. These results will not only provide an input to urban planning but can also be utilized in hydrological and ecological modelling which require an estimate of future built up areas especially at regional level.

Oxidative metabolism of 1-nitropyrene by rabbit liver microsomes and purified microsomal cytochrome P-450 isozymes.

PubMed

Howard, P C; Reed, K A; Koop, D R

1988-08-01

Rabbit liver (male) microsomal metabolism of 10 microM [4,5,9,10-3H]-1-nitropyrene (1NP) was investigated. The total metabolism was not appreciably different with rates of 4.44 +/- 0.45, 3.98 +/- 0.19, 3.90 +/- 0.16, and 3.75 +/- 0.27 nmol/min/mg protein, respectively, for microsomes from phenobarbital, Aroclor-1254, ethanol-treated, and untreated rabbits. However, a more noticeable difference was found in the formation of specific metabolites. Phenobarbital treatment induced changes which favored 1-nitropyrene-3-ol formation, and Aroclor-1254 and ethanol-induced changes which favored 1-nitropyren-6-ol and 1-nitropyren-8-ol formation. 1NP was incubated with untreated microsomes and alpha-naphthoflavone, an inhibitor of rabbit cytochrome P-450 form 6 at low concentrations (less than 1 microM), and an activator of form 3c at high concentrations. The presence of alpha-naphthoflavone changed the profile of metabolites while not affecting the total metabolism. Using purified isozymes of rabbit P-450, we found the constitutive form 3b metabolized 1NP at the highest rate with a catalytic activity of 26.8 nmol/min/nmol P-450. Forms 2 and 6 exhibited rates of 2 and 2.2 nmol/min/nmol P-450. Forms 3a, 3c, and 4 had rates about 50- to 300-fold lower than form 3b. High performance liquid chromatography was used to identify the metabolites when the incubations were carried out in the presence of purified rabbit epoxide hydrolase. With form 6, 54% of the metabolites were accounted for as 1-nitropyren-3-ol, while with form 3b, 73% of the metabolites were 1-nitropyren-6-ol and 1-nitropyren-8-ol. The K-region dihydrodiols were formed by forms 2 and 3b, but not by forms 3c or 6. These results demonstrate that 1NP is a preferential substrate for form 3b, and that a preponderance of the metabolism with untreated rabbit liver microsomes can be attributed to this isozyme.

The Effect of Terminal Substitution on the Helical Carbon Structure of Fluoro-Alkane Chains: a Pure Rotational Study of CH2OH-Cn-1F2n-1 (n = 4, 5,& 6)

NASA Astrophysics Data System (ADS)

Schwartz, Aaron Z. A.; Maturo, Mark P.; Obenchain, Daniel A.; Cooke, S. A.

2016-06-01

Continuing a series of studies to investigate the change in structure of hydrocarbons as the amount of fluorination is increased to varying degrees of substitution, we present a survey on the change in the helical nature of the fluorinated carbon backbone when a -CH2OH group is substituted for a terminal - CF3 group. Spectra for 1H,1H-heptafluorobutan-1-ol, 1H,1H-nonafluoropentan-1-ol, and 1H,1H-undecafluorohexan-1-ol were collected separately using a chirped-pulse FTMW spectrometer in the range of 7-13 GHz. Only one conformation was observed for each molecule. Additional measurements of the 1H,1H-heptafluorobutan-1-ol were completed using a Balle-Flygare cavity instrument. Assignments of the singly-substituted 13C isotopologues of the 1H,1H-heptafluorobutan-1-ol were also measured. A comparison of both ab initio and experimental structures will be presented.

On rates and mechanisms of OH and O3 reactions with isoprene-derived hydroxy nitrates.

PubMed

Lee, Lance; Teng, Alex P; Wennberg, Paul O; Crounse, John D; Cohen, Ronald C

2014-03-06

Eight distinct hydroxy nitrates are stable products of the first step in the atmospheric oxidation of isoprene by OH. The subsequent chemical fate of these molecules affects global and regional production of ozone and aerosol as well as the location of nitrogen deposition. We synthesized and purified 3 of the 8 isoprene hydroxy nitrate isomers: (E/Z)-2-methyl-4-nitrooxybut-2-ene-1-ol and 3-methyl-2-nitrooxybut-3-ene-1-ol. Oxidation of these molecules by OH and ozone was studied using both chemical ionization mass spectrometry and thermo-dissociation laser induced fluorescence. The OH reaction rate constants at 300 K measured relative to propene at 745 Torr are (1.1 ± 0.2) × 10(-10) cm(3) molecule(-1) s(-1) for both the E and Z isomers and (4.2 ± 0.7) × 10(-11) cm(3) molecule(-1) s(-1) for the third isomer. The ozone reaction rate constants for (E/Z)-2-methyl-4-nitrooxybut-2-ene-1-ol are (2.7 ± 0.5) × 10(-17) and (2.9 ± 0.5) × 10(-17) cm(3) molecule(-1) s(-1), respectively. 3-Methyl-2-nitrooxybut-3-ene-1-ol reacts with ozone very slowly, within the range of (2.5-5) × 10(-19) cm(3) molecule(-1) s(-1). Reaction pathways, product yields, and implications for atmospheric chemistry are discussed. A condensed mechanism suitable for use in atmospheric chemistry models is presented.

Content of Total Phenolics, Flavan-3-Ols and Proanthocyanidins, Oxidative Stability and Antioxidant Capacity of Chocolate During Storage

PubMed Central

Komes, Draženka; Gorjanović, Stanislava; Belščak-Cvitanović, Ana; Pezo, Lato; Pastor, Ferenc; Ostojić, Sanja; Popov-Raljić, Jovanka; Sužnjević, Desanka

2016-01-01

Summary Antioxidant (AO) capacity of chocolates with 27, 44 and 75% cocoa was assessed after production and during twelve months of storage by direct current (DC) polarographic assay, based on the decrease of anodic current caused by the formation of hydroxo-perhydroxyl mercury(II) complex (HPMC) in alkaline solutions of hydrogen peroxide at potentials of mercury oxidation, and two spectrophotometric assays. Relative antioxidant capacity index (RACI) was calculated by taking the average value of the AO assay (the sample mass in all assays was identical). Oxidative stability of chocolate fat was determined by differential scanning calorimetry. Measured parameters and RACI were correlated mutually and with the content of total phenols (Folin-Ciocalteu assay), flavan-3-ols (vanillin and p-dimethylaminocinnamaldehyde assay) and proanthocyanidins (modified Bate-Smith assay). During storage, the studied functional and health-related characteristics remained unchanged. Amongst applied AO assays, the DC polarographic one, whose validity was confirmed by two-way ANOVA and F-test, correlated most significantly with oxidative stability (oxidation onset temperature and induction time). In addition, principal component analysis was applied to characterise chocolate types. PMID:27904388

Inductively coupled plasma optical emission spectrometry for trace multi-element determination in vegetable oils, margarine and butter after stabilization with propan-1-ol and water

NASA Astrophysics Data System (ADS)

de Souza, Roseli M.; Mathias, Bárbara M.; da Silveira, Carmem Lúcia P.; Aucélio, Ricardo Q.

2005-06-01

The quantitative evaluation of trace elements in foodstuffs is of considerable interest due to the potential toxicity of many elements, and because the presence of some metallic species might affect the overall quality (flavor and stability) of these products. In the present work, an inductively coupled plasma optical emission spectrometric method has been developed for the determination of six elements (Cd, Co, Cr, Cu, Ni and Mn) in olive oil, soy oil, margarine and butter. Organic samples (oils and fats) were stabilized using propan-1-ol and water, which enabled long-time sample dispersion in the solution. This simple sample preparation procedure, together with an efficient sample introduction strategy (using a Meinhard K3 nebulizer and a twister cyclonic spray chamber), facilitated the overall analytical procedure, allowing quantification using calibration curves prepared with inorganic standards. Internal standardization (Sc) was used for correction of matrix effects and signal fluctuations. Good sensitivities with limits of detection in the ng g -1 range were achieved for all six elements. These sensitivities were appropriate for the intended application. The method was tested through the analysis of laboratory-fortified samples with good recoveries (between 91.3% and 105.5%).

Comparison of the cidal activity of tea tree oil and terpinen-4-ol against clinical bacterial skin isolates and human fibroblast cells.

PubMed

Loughlin, R; Gilmore, B F; McCarron, P A; Tunney, M M

2008-04-01

The aim of this study was to compare both the antimicrobial activity of terpinen-4-ol and tea tree oil (TTO) against clinical skin isolates of meticillin-resistant Staphylococcus aureus (MRSA) and coagulase-negative staphylococci (CoNS) and their toxicity against human fibroblast cells. Antimicrobial activity was compared by using broth microdilution and quantitative in vitro time-kill test methods. Terpinen-4-ol exhibited significantly greater bacteriostatic and bactericidal activity, as measured by minimum inhibitory and bactericidal concentrations, respectively, than TTO against both MRSA and CoNS isolates. Although not statistically significant, time-kill studies also clearly showed that terpinen-4-ol exhibited greater antimicrobial activity than TTO. Comparison of the toxicity of terpinen-4-ol and TTO against human fibroblasts revealed that neither agent, at the concentrations tested, were toxic over the 24-h test period. Terpinen-4-ol is a more potent antibacterial agent against MRSA and CoNS isolates than TTO with neither agent exhibiting toxicity to fibroblast cells at the concentrations tested. Terpinen-4-ol should be considered for inclusion as a single agent in products formulated for topical treatment of MRSA infection. However, further work would initially be required to ensure that resistance would not develop with the use of terpinen-4-ol as a single agent.

In vitro antifungal activity of terpinen-4-ol, eugenol, carvone, 1,8-cineole (eucalyptol) and thymol against mycotoxigenic plant pathogens.

PubMed

Morcia, C; Malnati, M; Terzi, V

2012-01-01

The aim of this study was to examine the effect of five naturally occurring compounds from essential oils on 10 different species of mycotoxigenic fungi involved in several plant diseases. The antifungal activities of terpinen-4-ol, eugenol, carvone, 1,8-cineole (eucalyptol) and thymol were observed in vitro on Fusarium subglutinans, Fusarium cerealis, Fusarium verticillioides, Fusarium proliferatum, Fusarium oxysporum, Fusarium sporotrichioides, Aspergillus tubingensis, Aspergillus carbonarius, Alternaria alternata and Penicillium sp. The naturally occurring compounds tested showed toxic effects on in vitro mycelium growth of all fungal species but with different level of potency. The results are encouraging for further investigations of in planta antifungal activities of these essential oils components.

77 FR 37035 - O.L.S. Energy-Agnews, Inc.; Supplemental Notice That Initial Market-Based Rate Filing Includes...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-06-20

... DEPARTMENT OF ENERGY Federal Energy Regulatory Commission [Docket No. ER12-1987-000] O.L.S. Energy-Agnews, Inc.; Supplemental Notice That Initial Market-Based Rate Filing Includes Request for Blanket Section 204 Authorization This is a supplemental notice in the above-referenced proceeding of O.L.S...

Asteroid 2014 OL339: yet another Earth quasi-satellite

NASA Astrophysics Data System (ADS)

de la Fuente Marcos, C.; de la Fuente Marcos, R.

2014-12-01

Our planet has one permanently bound satellite - the Moon - a likely large number of mini-moons or transient irregular natural satellites, and three temporary natural retrograde satellites or quasi-satellites. These quasi-moons - (164207) 2004 GU9, (277810) 2006 FV35 and 2013 LX28 - are unbound companions to the Earth. The orbital evolution of quasi-satellites may transform them into temporarily bound satellites of our planet. Here, we study the dynamical evolution of the recently discovered Aten asteroid 2014 OL339 to show that it is currently following a quasi-satellite orbit with respect to the Earth. This episode started at least about 775 yr ago and it will end 165 yr from now. The orbit of this object is quite chaotic and together with 164207 are the most unstable of the known Earth quasi-satellites. This group of minor bodies is, dynamically speaking, very heterogeneous but three of them exhibit Kozai-like dynamics: the argument of perihelion of 164207 oscillates around -90°, the one of 277810 librates around 180° and that of 2013 LX28 remains around 0°. Asteroid 2014 OL339 is not currently engaged in any Kozai-like dynamics.

Using DMSP/OLS nighttime imagery to estimate carbon dioxide emission

NASA Astrophysics Data System (ADS)

Desheng, B.; Letu, H.; Bao, Y.; Naizhuo, Z.; Hara, M.; Nishio, F.

2012-12-01

This study highlighted a method for estimating CO2 emission from electric power plants using the Defense Meteorological Satellite Program's Operational Linescan System (DMSP/OLS) stable light image product for 1999. CO2 emissions from power plants account for a high percentage of CO2 emissions from fossil fuel consumptions. Thermal power plants generate the electricity by burning fossil fuels, so they emit CO2 directly. In many Asian countries such as China, Japan, India, and South Korea, the amounts of electric power generated by thermal power accounts over 58% in the total amount of electric power in 1999. So far, figures of the CO2 emission were obtained mainly by traditional statistical methods. Moreover, the statistical data were summarized as administrative regions, so it is difficult to examine the spatial distribution of non-administrative division. In some countries the reliability of such CO2 emission data is relatively low. However, satellite remote sensing can observe the earth surface without limitation of administrative regions. Thus, it is important to estimate CO2 using satellite remote sensing. In this study, we estimated the CO2 emission by fossil fuel consumption from electric power plant using stable light image of the DMSP/OLS satellite data for 1999 after correction for saturation effect in Japan. Digital number (DN) values of the stable light images in center areas of cities are saturated due to the large nighttime light intensities and characteristics of the OLS satellite sensors. To more accurately estimate the CO2 emission using the stable light images, a saturation correction method was developed by using the DMSP radiance calibration image, which does not include any saturation pixels. A regression equation was developed by the relationship between DN values of non-saturated pixels in the stable light image and those in the radiance calibration image. And, regression equation was used to adjust the DNs of the radiance calibration image

Anxiolytic-like effect of 2-(4-((1-phenyl-1H-pyrazol-4-yl)methyl)piperazin-1-yl)ethan-1-ol is mediated through the benzodiazepine and nicotinic pathways.

PubMed

Brito, Adriane F; Fajemiroye, James O; Neri, Hiasmin F S; Silva, Dayane M; Silva, Daiany P B; Sanz, Germán; Vaz, Boniek G; de Carvalho, Flávio S; Ghedini, Paulo C; Lião, Luciano M; Menegatti, Ricardo; Costa, Elson A

2017-09-01

In this study, we proposed the design, synthesis of a new compound 2-(4-((1-phenyl-1H-pyrazol-4-yl)methyl)piperazin-1-yl)ethan-1-ol (LQFM032), and pharmacological evaluation of its anxiolytic-like effect. This new compound was subjected to pharmacological screening referred to as Irwin test, prior to sodium pentobarbital-induced sleep, open-field and wire tests. The anxiolytic-like effect of this compound was evaluated using elevated plus maze and light-dark box tests. In addition, the mnemonic activity was evaluated through step-down test. In sodium pentobarbital-induced sleep test, LQFM032 decreased latency and increased duration of sleep. In the open-field test, LQFM032 altered behavioral parameter, that suggested anxiolytic-like activity, as increased in crossings and time spent at the center of open field. In the plus maze test and light-dark box test, the LQFM032 showed anxiolytic-like activity, increased entries and time spent on open arms, and increased in number of transitions and time spent on light area, respectively. Those effects was antagonized by flumazenil but not with 1-(2-Methoxyphenyl)-4-(4-phthalimidobutyl)piperazine (NAN-190). The LQFM032 did not alter mnemonic activity. Moreover, the anxiolytic-like activity of LQFM032 was antagonized by mecamylamine. In summary, LQFM032 showed benzodiazepine and nicotinic pathways mediated anxiolytic-like activity without altering the mnemonic activity. © 2017 John Wiley & Sons A/S.

Predicting the random drift of MEMS gyroscope based on K-means clustering and OLS RBF Neural Network

NASA Astrophysics Data System (ADS)

Wang, Zhen-yu; Zhang, Li-jie

2017-10-01

Measure error of the sensor can be effectively compensated with prediction. Aiming at large random drift error of MEMS(Micro Electro Mechanical System))gyroscope, an improved learning algorithm of Radial Basis Function(RBF) Neural Network(NN) based on K-means clustering and Orthogonal Least-Squares (OLS) is proposed in this paper. The algorithm selects the typical samples as the initial cluster centers of RBF NN firstly, candidates centers with K-means algorithm secondly, and optimizes the candidate centers with OLS algorithm thirdly, which makes the network structure simpler and makes the prediction performance better. Experimental results show that the proposed K-means clustering OLS learning algorithm can predict the random drift of MEMS gyroscope effectively, the prediction error of which is 9.8019e-007°/s and the prediction time of which is 2.4169e-006s

Performance evaluations of hybrid modulation with different optical labels over PDQ in high bit-rate OLS network systems.

PubMed

Xu, M; Li, Y; Kang, T Z; Zhang, T S; Ji, J H; Yang, S W

2016-11-14

Two orthogonal modulation optical label switching(OLS) schemes, which are based on payload of polarization multiplexing-differential quadrature phase shift keying(POLMUX-DQPSK or PDQ) modulated with identifications of duobinary (DB) label and pulse position modulation(PPM) label, are researched in high bit-rate OLS network. The BER performance of hybrid modulation with payload and label signals are discussed and evaluated in theory and simulation. The theoretical BER expressions of PDQ, PDQ-DB and PDQ-PPM are given with analysis method of hybrid modulation encoding in different the bit-rate ratios of payload and label. Theoretical derivation results are shown that the payload of hybrid modulation has a certain gain of receiver sensitivity than payload without label. The sizes of payload BER gain obtained from hybrid modulation are related to the different types of label. The simulation results are consistent with that of theoretical conclusions. The extinction ratio (ER) conflicting between hybrid encoding of intensity and phase types can be compromised and optimized in OLS system of hybrid modulation. The BER analysis method of hybrid modulation encoding in OLS system can be applied to other n-ary hybrid modulation or combination modulation systems.

40 CFR 180.530 - 2,2-Dimethyl-1,3-benzodioxol-4-ol methylcarbamate; tolerances for residues.

Code of Federal Regulations, 2010 CFR

2010-07-01

... used in spot and/or crack and crevice treatments in animal feed handling establishments, including feed... insecticide 2,2-dimethyl-1,3-benzodioxol-4-yl methylcarbamate may be safely used in spot and/or crack and...

Organosulfates as tracers for secondary organic aerosol (SOA) formation from 2-methyl-3-buten-2-ol (MBO) in the atmosphere.

PubMed

Zhang, Haofei; Worton, David R; Lewandowski, Michael; Ortega, John; Rubitschun, Caitlin L; Park, Jeong-Hoo; Kristensen, Kasper; Campuzano-Jost, Pedro; Day, Douglas A; Jimenez, Jose L; Jaoui, Mohammed; Offenberg, John H; Kleindienst, Tadeusz E; Gilman, Jessica; Kuster, William C; de Gouw, Joost; Park, Changhyoun; Schade, Gunnar W; Frossard, Amanda A; Russell, Lynn; Kaser, Lisa; Jud, Werner; Hansel, Armin; Cappellin, Luca; Karl, Thomas; Glasius, Marianne; Guenther, Alex; Goldstein, Allen H; Seinfeld, John H; Gold, Avram; Kamens, Richard M; Surratt, Jason D

2012-09-04

2-Methyl-3-buten-2-ol (MBO) is an important biogenic volatile organic compound (BVOC) emitted by pine trees and a potential precursor of atmospheric secondary organic aerosol (SOA) in forested regions. In the present study, hydroxyl radical (OH)-initiated oxidation of MBO was examined in smog chambers under varied initial nitric oxide (NO) and aerosol acidity levels. Results indicate measurable SOA from MBO under low-NO conditions. Moreover, increasing aerosol acidity was found to enhance MBO SOA. Chemical characterization of laboratory-generated MBO SOA reveals that an organosulfate species (C(5)H(12)O(6)S, MW 200) formed and was substantially enhanced with elevated aerosol acidity. Ambient fine aerosol (PM(2.5)) samples collected from the BEARPEX campaign during 2007 and 2009, as well as from the BEACHON-RoMBAS campaign during 2011, were also analyzed. The MBO-derived organosulfate characterized from laboratory-generated aerosol was observed in PM(2.5) collected from these campaigns, demonstrating that it is a molecular tracer for MBO-initiated SOA in the atmosphere. Furthermore, mass concentrations of the MBO-derived organosulfate are well correlated with MBO mixing ratio, temperature, and acidity in the field campaigns. Importantly, this compound accounted for an average of 0.25% and as high as 1% of the total organic aerosol mass during BEARPEX 2009. An epoxide intermediate generated under low-NO conditions is tentatively proposed to produce MBO SOA.

2-Methyl-3-buten-2-ol (MBO) synthase expression in Nostoc punctiforme leads to over production of phytols.

PubMed

Gupta, Dinesh; Ip, Tina; Summers, Michael L; Basu, Chhandak

2015-01-01

Phytol is a diterpene alcohol of medicinal importance and it also has potential to be used as biofuel. We found over production of phytol in Nostoc punctiforme by expressing a 2-Methyl-3-buten-2-ol (MBO) synthase gene. MBO synthase catalyzes the conversion of dimethylallyl pyrophosphate (DMAPP) into MBO, a volatile hemiterpene alcohol, in Pinus sabiniana. The result of enhanced phytol production in N. punctiforme, instead of MBO, could be explained by one of the 2 models: either the presence of a native prenyltransferase enzyme with a broad substrate specificity, or appropriation of a MBO synthase metabolic intermediate by a native geranyl diphosphate (GDP) synthase. In this work, an expression vector with an indigenous petE promoter for gene expression in the cyanobacterium N. punctiforme was constructed and MBO synthase gene expression was successfully shown using reverse transcriptase (RT)-PCR and SDS-PAGE. Gas chromatography--mass spectrophotometry (GC-MS) was performed to confirm phytol production from the transgenic N. punctiforme strains. We conclude that the expression of MBO synthase in N. punctiforme leads to overproduction of an economically important compound, phytol. This study provides insights about metabolic channeling of isoprenoids in cyanobacteria and also illustrates the challenges of bioengineering non-native hosts to produce economically important compounds.

Accuracy Estimation of the Approximated Methods Used for Assessing Risk of Buildings Damage Under the Influence of Underground Exploitation in the Light of World's and Polish Experience - Part 2 / Analiza Dokładności Przybliżonych Metod Oceny Zagrożenia Budynków Wpływami Podziemnej Eksploatacji Stosowanych W Świecie I Polskiej Metody Punktowej - Część 2

NASA Astrophysics Data System (ADS)

Malinowska, Agnieszka

2013-09-01

This paper is a continuation of theoretical analyses of World's methods used for assessing damage risk to buildings with continuous strains, which were presented in Part 1. The authors focus only on those methods in which the scale of damage to buildings can be approximated. Selected methods were tested on 100 random objects sited in hard coal excavation-induced areas. The efficiency and effectiveness of those methods was evaluated. The damage risk was also verified with the use of a method currently used in Poland. The efficiency results obtained for World's methods and the one used in Poland turned out to be comparable. Practical studies were made to evaluate the adaptability of those methods in the underground exploitation-induced conditions in Poland. Artykuł stanowi kontynuację badań teoretycznych zaprezentowanych w części pierwszej, dotyczących oceny możliwości wykorzystania metod stosowanych na świecie do oceny zagrożenia budynków deformacjami ciągłymi. Skoncentrowano się jedynie na metodach pozwalających na przybliżoną ocenę stopnia uszkodzenia obiektów. Wybrane metody przetestowano na 100 losowo wybranych obiektach z terenu poddanego wpływom eksploatacji węgla kamiennego. Przyjęty tok postępowania pozwolił na ocenę efektywności oraz skuteczności tych metod. Ocenę zagrożenia budynków przeprowadzono również przy wykorzystaniu metody stosowanej obecnie w Polsce. Wyniki ewaluacji zagrożenia metodami światowymi można było porównać z efektywnością Polskiej metody. Badania praktyczne pozwoliły na ocenę możliwości adaptacji tych metod w warunkach eksploatacji podziemnej w Polsce.

Suppression of inflammatory reactions by terpinen-4-ol, a main constituent of tea tree oil, in a murine model of oral candidiasis and its suppressive activity to cytokine production of macrophages in vitro.

PubMed

Ninomiya, Kentaro; Hayama, Kazumi; Ishijima, Sanae A; Maruyama, Naho; Irie, Hiroshi; Kurihara, Junichi; Abe, Shigeru

2013-01-01

The onset of oral candidiasis is accompanied by inflammatory symptoms such as pain in the tongue, edema or tissue damage and lowers the quality of life (QOL) of the patient. In a murine oral candidiasis model, the effects were studied of terpinen-4-ol (T-4-ol), one of the main constituents of tea tree oil, Melaleuca alternifolia, on inflammatory reactions. When immunosuppressed mice were orally infected with Candida albicans, their tongues showed inflammatory symptoms within 24 h after the infection, which was monitored by an increase of myeloperoxidase activity and macrophage inflammatory protein-2 in their tongue homogenates. Oral treatment with 50 µL of 40 mg/mL terpinen-4-ol 3h after the Candida infection clearly suppressed the increase of these inflammatory parameters. In vitro analysis of the effects of terpinen-4-ol on cytokine secretion of macrophages indicated that 800 µg/mL of this substance significantly inhibited the cytokine production of the macrophages cultured in the presence of heat-killed C. albicans cells. Based on these findings, the role of the anti-inflammatory action of T-4-ol in its therapeutic activity against oral candidiasis was discussed.

Cloning and Characterization of a Flavonoid 3′-Hydroxylase Gene from Tea Plant (Camellia sinensis)

PubMed Central

Zhou, Tian-Shan; Zhou, Rui; Yu, You-Ben; Xiao, Yao; Li, Dong-Hua; Xiao, Bin; Yu, Oliver; Yang, Ya-Jun

2016-01-01

Tea leaves contain abundant flavan-3-ols, which include dihydroxylated and trihydroxylated catechins. Flavonoid 3′-hydroxylase (F3′H: EC 1.14.13.21) is one of the enzymes in the establishment of the hydroxylation pattern. A gene encoding F3′H, designated as CsF3′H, was isolated from Camellia sinensis with a homology-based cloning technique and deposited in the GenBank (GenBank ID: KT180309). Bioinformatic analysis revealed that CsF3′H was highly homologous with the characterized F3′Hs from other plant species. Four conserved cytochrome P450-featured motifs and three F3′H-specific conserved motifs were discovered in the protein sequence of CsF3′H. Enzymatic analysis of the heterologously expressed CsF3′H in yeast demonstrated that tea F3′H catalyzed the 3′-hydroxylation of naringenin, dihydrokaempferol and kaempferol. Apparent Km values for these substrates were 17.08, 143.64 and 68.06 μM, and their apparent Vmax values were 0.98, 0.19 and 0.44 pM·min−1, respectively. Transcription level of CsF3′H in the new shoots, during tea seed germination was measured, along with that of other key genes for flavonoid biosynthesis using real-time PCR technique. The changes in 3′,4′-flavan-3-ols, 3′,4′,5′-flavan-3-ols and flavan-3-ols, were consistent with the expression level of CsF3′H and other related genes in the leaves. In the study of nitrogen supply for the tea plant growth, our results showed the expression level of CsF3′H and all other tested genes increased in response to nitrogen depletion after 12 days of treatment, in agreement with a corresponding increase in 3′,4′-catechins, 3′,4′,5′-catechins and flavan 3-ols content in the leaves. All these results suggest the importance of CsF3′H in the biosynthesis of 3′,4′-catechins, 3′,4′,5′-catechins and flavan 3-ols in tea leaves. PMID:26907264

Expression of progesterone metabolizing enzyme genes (AKR1C1, AKR1C2, AKR1C3, SRD5A1, SRD5A2) is altered in human breast carcinoma

PubMed Central

Lewis, Michael J; Wiebe, John P; Heathcote, J Godfrey

2004-01-01

Background Recent evidence suggests that progesterone metabolites play important roles in regulating breast cancer. Previous studies have shown that tumorous tissues have higher 5α-reductase (5αR) and lower 3α-hydroxysteroid oxidoreductase (3α-HSO) and 20α-HSO activities. The resulting higher levels of 5α-reduced progesterone metabolites such as 5α-pregnane-3,20-dione (5αP) in tumorous tissue promote cell proliferation and detachment, whereas the 4-pregnene metabolites, 4-pregnen-3α-ol-20-one (3αHP) and 4-pregnen-20α-ol-3-one (20αDHP), more prominent in normal tissue, have the opposite (anti-cancer-like) effects. The aim of this study was to determine if the differences in enzyme activities between tumorous and nontumorous breast tissues are associated with differences in progesterone metabolizing enzyme gene expression. Methods Semi-quantitative RT-PCR was used to compare relative expression (as a ratio of 18S rRNA) of 5αR type 1 (SRD5A1), 5αR type 2 (SRD5A2), 3α-HSO type 2 (AKR1C3), 3α-HSO type 3 (AKR1C2) and 20α-HSO (AKR1C1) mRNAs in paired (tumorous and nontumorous) breast tissues from 11 patients, and unpaired tumor tissues from 17 patients and normal tissues from 10 reduction mammoplasty samples. Results Expression of 5αR1 and 5αR2 in 11/11 patients was higher (mean of 4.9- and 3.5-fold, respectively; p < 0.001) in the tumor as compared to the paired normal tissues. Conversely, expression of 3α-HSO2, 3α-HSO3 and 20α-HSO was higher (2.8-, 3.9- and 4.4-fold, respectively; p < 0.001) in normal than in tumor sample. The mean tumor:normal expression ratios for 5αR1 and 5αR2 were about 35–85-fold higher than the tumor:normal expression ratios for the HSOs. Similarly, in the unmatched samples, the tumor:normal ratios for 5αR were significantly higher than the ratios for the HSOs. Conclusions The study shows changes in progesterone metabolizing enzyme gene expression in human breast carcinoma. Expression of SRD5A1 (5αR1) and SRD5A2 (5αR2

Expression of progesterone metabolizing enzyme genes (AKR1C1, AKR1C2, AKR1C3, SRD5A1, SRD5A2) is altered in human breast carcinoma.

PubMed

Lewis, Michael J; Wiebe, John P; Heathcote, J Godfrey

2004-06-22

Recent evidence suggests that progesterone metabolites play important roles in regulating breast cancer. Previous studies have shown that tumorous tissues have higher 5alpha-reductase (5alphaR) and lower 3alpha-hydroxysteroid oxidoreductase (3alpha-HSO) and 20alpha-HSO activities. The resulting higher levels of 5alpha-reduced progesterone metabolites such as 5alpha-pregnane-3,20-dione (5alphaP) in tumorous tissue promote cell proliferation and detachment, whereas the 4-pregnene metabolites, 4-pregnen-3alpha-ol-20-one (3alphaHP) and 4-pregnen-20alpha-ol-3-one (20alphaDHP), more prominent in normal tissue, have the opposite (anti-cancer-like) effects. The aim of this study was to determine if the differences in enzyme activities between tumorous and nontumorous breast tissues are associated with differences in progesterone metabolizing enzyme gene expression. Semi-quantitative RT-PCR was used to compare relative expression (as a ratio of 18S rRNA) of 5alphaR type 1 (SRD5A1), 5alphaR type 2 (SRD5A2), 3alpha-HSO type 2 (AKR1C3), 3alpha-HSO type 3 (AKR1C2) and 20alpha-HSO (AKR1C1) mRNAs in paired (tumorous and nontumorous) breast tissues from 11 patients, and unpaired tumor tissues from 17 patients and normal tissues from 10 reduction mammoplasty samples. Expression of 5alphaR1 and 5alphaR2 in 11/11 patients was higher (mean of 4.9- and 3.5-fold, respectively; p < 0.001) in the tumor as compared to the paired normal tissues. Conversely, expression of 3alpha-HSO2, 3alpha-HSO3 and 20alpha-HSO was higher (2.8-, 3.9- and 4.4-fold, respectively; p < 0.001) in normal than in tumor sample. The mean tumor:normal expression ratios for 5alphaR1 and 5alphaR2 were about 35-85-fold higher than the tumor:normal expression ratios for the HSOs. Similarly, in the unmatched samples, the tumor:normal ratios for 5alphaR were significantly higher than the ratios for the HSOs. The study shows changes in progesterone metabolizing enzyme gene expression in human breast carcinoma. Expression of

Cardiovascular effects of the essential oil of Alpinia zerumbet leaves and its main constituent, Terpinen-4-ol, in rats: role of the autonomic nervous system.

PubMed

Lahlou, Saad; Galindo, Charles Antonio Barros; Leal-Cardoso, José Henrique; Fonteles, Manassés Claudino; Duarte, Gloria Pinto

2002-12-01

Cardiovascular effects of intravenous ( i. v.) treatment with the essential oil of Alpinia zerumbet (EOAZ) were investigated in rats. Additionally this study examined (I) whether the autonomic nervous system is involved in the mediation of EOAZ-induced changes in mean aortic pressure (MAP) and heart rate (HR), and (II) whether these changes could be, at least in part, attributed to the actions of terpinen-4-ol (Trp-4-ol), the major constituent of EOAZ. In both pentobarbitone-anaesthetised and conscious rats, i. v. bolus injections of EOAZ (1 to 20 mg/kg) elicited immediate and dose-dependent decreases in MAP. In anaesthetised rats, EOAZ decreased HR only at higher doses (10 and 20 mg/kg), while changes of this parameter were not uniform in conscious rats. Hypotensive responses to EOAZ were of the same order of magnitude or duration, irrespective of whether the animal was under general anaesthesia. Pretreatment of anaesthetised rats with bilateral vagotomy did not modify significantly the hypotensive and bradycardic responses to EOAZ. In conscious rats, i. v. injections of bolus doses (1 to 10 mg/kg) of Trp-4-ol also elicited immediate and dose-dependent decreases in MAP. However, these hypotensive effects were significantly greater than those evoked by the same doses of EOAZ (1 to 10 mg/kg). Intravenous pretreatment of conscious rats with either methylatropine (1 mg/kg) or hexamethonium (30 mg/kg) had no significant effects on the EOAZ-induced hypotension. These data show that i. v. treatment with the EOAZ in either anaesthetised or conscious rats induced an immediate and significant hypotension, an effect that could be partially attributed to the actions of Trp-4-ol. The hypotension appears independent of the presence of an operational sympathetic nervous system, suggesting that the EOAZ may be a direct vasorelaxant agent.

Enantioselective synthesis of syn/anti-1,3-amino alcohols via proline-catalyzed sequential alpha-aminoxylation/alpha-amination and Horner-Wadsworth-Emmons olefination of aldehydes.

PubMed

Jha, Vishwajeet; Kondekar, Nagendra B; Kumar, Pradeep

2010-06-18

A novel and general method for asymmetric synthesis of both syn/anti-1,3-amino alcohols is described. The method uses proline-catalyzed sequential alpha-aminoxylation/ alpha-amination and Horner-Wadsworth-Emmons (HWE) olefination of aldehydes as the key step. By using this method, a short synthesis of a bioactive molecule, (R)-1-((S)-1-methylpyrrolidin-2-yl)-5-phenylpentan-2-ol, is also accomplished.

Oleuropein and hydroxytyrosol activate GPER/ GPR30-dependent pathways leading to apoptosis of ER-negative SKBR3 breast cancer cells.

PubMed

Chimento, Adele; Casaburi, Ivan; Rosano, Camillo; Avena, Paola; De Luca, Arianna; Campana, Carmela; Martire, Emilia; Santolla, Maria Francesca; Maggiolini, Marcello; Pezzi, Vincenzo; Sirianni, Rosa

2014-03-01

We have previously demonstrated that oleuropein (OL) and hydroxytyrosol (HT) reduce 17β-estradiol-mediated proliferation in MCF-7 breast cancer (BC) cells without affecting the classical genomic action of estrogen receptor (ER), but activating instead the ERK1/2 pathway. Here, we hypothesized that this inhibition could be mediated by a G-protein-coupled receptor named GPER/GPR30. Using the ER-negative and GPER-positive SKBR3 BC cells as experimental model, we investigated the effects of OL and HT on GPER-mediated activation of downstream pathways. Docking simulations and ligand-binding studies evidenced that OL and HT are able to bind GPER. MTT cell proliferation assays revealed that both phenols reduced SKBR3 cell growth; this effect was abolished silencing GPER. Focusing on OL and HT GPER-mediated pathways, using Western blot analysis we showed a sustained ERK1/2 activation triggering an intrinsic apoptotic pathway. Showing that OL and HT work as GPER inverse agonists in ER-negative and GPER-positive SKBR3 BC cells, we provide novel insights into the potential of these two molecules as tools in the therapy of this subtype of BC. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

RDH13L, an enzyme responsible for the aldehyde-alcohol redox coupling reaction (AL-OL coupling reaction) to supply 11-cis retinal in the carp cone retinoid cycle.

PubMed

Sato, Shinya; Miyazono, Sadaharu; Tachibanaki, Shuji; Kawamura, Satoru

2015-01-30

Cone photoreceptors require effective pigment regeneration mechanisms to maintain their sensitivity in the light. Our previous studies in carp cones suggested the presence of an unconventional and very effective mechanism to produce 11-cis retinal, the necessary component in pigment regeneration. In this reaction (aldehyde-alcohol redox coupling reaction, AL-OL coupling reaction), formation of 11-cis retinal, i.e. oxidation of 11-cis retinol is coupled to reduction of an aldehyde at a 1:1 molar ratio without exogenous NADP(H) which is usually required in this kind of reaction. Here, we identified carp retinol dehydrogenase 13-like (RDH13L) as an enzyme catalyzing the AL-OL coupling reaction. RDH13L was partially purified from purified carp cones, identified as a candidate protein, and its AL-OL coupling activity was confirmed using recombinant RDH13L. We further examined the substrate specificity, subcellular localization, and expression level of RDH13L. Based on these results, we concluded that RDH13L contributes to a significant part, but not all, of the AL-OL coupling activity in carp cones. RDH13L contained tightly bound NADP(+) which presumably functions as a cofactor in the reaction. Mouse RDH14, a mouse homolog of carp RDH13L, also showed the AL-OL coupling activity. Interestingly, although carp cone membranes, carp RDH13L and mouse RDH14 all showed the coupling activity at 15-37 °C, they also showed a conventional NADP(+)-dependent 11-cis retinol oxidation activity above 25 °C without addition of aldehydes. This dual mechanism of 11-cis retinal synthesis attained by carp RDH13L and mouse RDH14 probably contribute to effective pigment regeneration in cones that function in the light. © 2015 by The American Society for Biochemistry and Molecular Biology, Inc.

Inhibition of Drp1 hyper-activation is protective in animal models of experimental multiple sclerosis

PubMed Central

Luo, Fucheng; Herrup, Karl; Qi, Xin; Yang, Yan

2017-01-01

Multiple Sclerosis (MS), a leading neurological disorder of young adults, is characterized by the loss of oligodendrocytes (OLs), demyelination, inflammation and neuronal degeneration. Here we show that dynamin-related protein 1 (Drp1), a mitochondrial fission protein, is activated in primary OL cells exposed to TNF-α induced inflammation or oxidative stress, as well as in EAE-immunized and cuprizone toxicity-induced demyelinating mouse models. Inhibition of Drp1 hyper-activation by the selective inhibitor P110 abolishes Drp1 translocation to the mitochondria, reduces mitochondrial fragmentation and stems necrosis in primary OLs exposed to TNF-α and H2O2. Notably, in both types of mouse models, treatment with P110 significantly reduces the loss of mature OLs and demyelination, attenuates the number of active microglial cells and astrocytes, yet has no effect on the differentiation of oligodendrocyte precursor cells. Drp1 activation appears to be mediated through the RIPK1/RIPK3/MLKL/PGAM5 pathway during TNF-α-induced oligodendroglia necroptosis. Our results demonstrate a critical role of Drp1 hyper-activation in OL cell death and suggest that an inhibitor of Drp1 hyper-activation such as P110 is worth exploring for its ability to halt or slow the progression of MS. PMID:28238799

Synthesis and mutagenicity of a ring-A-aromatized bile acid, 3-hydroxy-19-nor-1,3,5(10)-cholatrien-24-oic acid.

PubMed

Namba, T; Hirota, T; Hayakawa, S

1988-06-01

It has been presumed that ring-A-aromatized bile acids are produced from biliary bile acids by intestinal flora and the acids thus formed participate in the large bowel carcinogenesis. One of these acids is probably 3-hydroxy-19-nor-1,3,5(10)-cholatrien-24-oic acid, judged from the literatures. Consequently, this acid was synthesized from previously prepared 3-methoxy-19-nor-1,3,5(10)-cholatrien-24-ol. The phenolic ether was successively oxidized with pyridinium chlorochromate and wet silver oxide to give 3-methoxy-19-nor-1,3,5(10)-cholatrien-24-oic acid in high yield, which, after successive treatments with methanol containing a catalytic amount of p-toluenesulfonic acid, a combination of aluminum chloride and ethanethiol, and alkali, gave the desired compound in satisfactory yield. The compound was not mutagenic in Salmonella tester strains TA 98 and TA 100, but it increased the mutagenicity of 2-aminoanthracene when both were applied to plates together. When compared with cholic, deoxycholic, and lithocholic acids, the investigated compound exhibited about two to threefold increase of mutagenicity in the latter assay.

Modeling Group Differences in OLS and Orthogonal Regression: Implications for Differential Validity Studies

ERIC Educational Resources Information Center

Kane, Michael T.; Mroch, Andrew A.

2010-01-01

In evaluating the relationship between two measures across different groups (i.e., in evaluating "differential validity") it is necessary to examine differences in correlation coefficients and in regression lines. Ordinary least squares (OLS) regression is the standard method for fitting lines to data, but its criterion for optimal fit…

Investigation of various N-heterocyclic substituted piperazine versions of 5/ 7-{[2-(4-Aryl-piperazin-1-yl)-ethyl]-propyl-amino}-5,6,7,8-tetrahydro-naphthalen-2-ol: Effect on affinity and selectivity for dopamine D3 receptor

PubMed Central

Brown, Dennis A.; Mishra, Manoj; Zhang, Suhong; Biswas, Swati; Parrington, Ingrid; Antonio, Tamara; Reith, Maarten E. A.; Dutta, Aloke K.

2009-01-01

Here we report on the design and synthesis of several heterocyclic analogues belonging to the 5/ 7-{[2-(4-aryl-piperazin-1-yl)-ethyl]-propyl-amino}-5,6,7,8-tetrahydro-naphthalen-2-ol series of molecules. Compounds were subjected to [3H]spiperone binding assays, carried out with HEK-293 cells expressing either D2 or D3 dopamine receptors, in order to evaluate their inhibition constant (Ki) at these receptors. Results indicate that N-substitution on the piperazine ring can accommodate various substituted indole rings. The results also show that in order to maintain high affinity and selectivity for the D3 receptor the heterocyclic ring does not need to be connected directly to the piperazine ring as the majority of compounds included here are linked either via an amide or a methylene linker to the heterocyclic moiety. The enantiomers of the most potent racemic compound 10e exhibited differential activity with (-)-10e (Ki; D2 = 47.5 nM, D3 = 0.57 nM) displaying higher affinity at both D2 and D3 receptors compared to its enantiomer (+)-10e (Ki; D2 = 113 nM, D3 = 3.73 nM). Additionally, compound (-)-10e was more potent and selective for the D3 receptor compared to either 7-OH-DPAT or 5-OH-DPAT. Among the bioisosteric derivatives, the indazole derivative 10g and benzo[b]thiophene derivative 10i exhibited the highest affinity for D2 and D3 receptors. In the functional GTPγS binding study, one of the lead molecules, (-)-15, exhibited potent agonist activity at both D2 and D3 receptors with preferential activity at D3. PMID:19427222

Précipitation sélective de cations métalliques au moyen d'acide azélaïque issu de l'oxydation de l'acide oléique

NASA Astrophysics Data System (ADS)

Zimmermann, F.; Meux, E.; Oget, N.; Lecuire, J. M.; Mieloszynski, J. L.

2004-12-01

Actuellement, les métaux présents dans les effluents liquides industriels sont précipités sous forme d'hydroxydes métalliques par ajout de lait de chaux. Les boues obtenues sont dirigées vers des centres de stockage de déchets ultimes sans possibilité de valorisation. Cette étude propose comme alternative au traitement actuel, une précipitation sélective par des réactifs qui peuvent être préparés à partir d'acides carboxyliques résultant de l'oxydation de l'acide oléique présent dans les huiles végétales. Cette publication présente dans un premier temps l'oxydation de l'acide oléique par le système oxydant NaIO4/RuO4 pour l'obtention de deux acides carboxyliques. Le rendement de l'oxydation de l'acide oléique est de 100% avec production des acides pélargonïque et azélaïque qui sont facilement purifiés par recristallisation dans l’eau. Dans un deuxième temps, cette étude présente la caractérisation de différents azélates métalliques. La détermination de leur stœchiométrie conduit à des composés de type MAz pour les cations divalents et M2Az3 pour les trivalents. Des mesures de solubilités ont été réalisées pour les azélates de Fe(III), Pb(II), Zn(II), Cu(II), Ni(II) et Ca(II). La gamme de solubilité s'étend de 1,17.10-2 M pour CaAz à 1,58.10-6 M pour Fe2Az3.

Geraniol (2,6-dimethyl-2,6-octadien-8-ol) reactions with ozone and OH radical: Rate constants and gas-phase products

NASA Astrophysics Data System (ADS)

Forester, Crystal D.; Ham, Jason E.; Wells, J. R.

The bimolecular rate constants, kOH+geraniol, (231±58)×10 -12 cm 3 molecule -1 s -1 and k+geraniol, (9.3±2.3)×10 -16 cm 3 molecule -1 s -1, were measured using the relative rate technique for the reaction of the hydroxyl radical (OH) and ozone (O 3) with 2,6-dimethyl-2,6-octadien-8-ol (geraniol) at (297±3) K and 1 atmosphere total pressure. To more clearly define part of geraniol's indoor environment degradation mechanism, the products of the geraniol+OH and geraniol+O 3 reactions were also investigated. The identified geraniol+OH and geraniol+O 3 reaction products were: acetone, hydroxyacetaldehyde (glycolaldehyde, HC( dbnd O)CH 2OH), ethanedial (glyoxal, HC( dbnd O)C( dbnd O)H), and 2-oxopropanal (methylglyoxal, CH 3C( dbnd O)C( dbnd O)H). The use of derivatizing agents O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine (PFBHA) and N,O-bis(trimethylsilyl) trifluoroacetamide (BSTFA) were used to propose 4-oxopentanal as the other major geraniol+OH and geraniol+O 3 reaction product. The elucidation of this other reaction product was facilitated by mass spectrometry of the derivatized reaction products coupled with plausible geraniol+OH and geraniol+O 3 reaction mechanisms based on previously published volatile organic compound+OH and volatile organic compound+O 3 gas-phase reaction mechanisms.

Growth and Your 2- to 3-Year-Old

MedlinePlus

... for Educators Search English Español Growth and Your 2- to 3-Year-Old KidsHealth / For Parents / Growth and Your 2- to 3-Year-Old Print During the third ... 4 pounds (1.8 kilograms) and grow about 2 to 3 inches (5 to 8 centimeters). They' ...

Four new neolignans isolated from Eleutherococcus senticosus and their protein tyrosine phosphatase 1B inhibitory activity (PTP1B).

PubMed

Zhang, Le; Li, Ban-Ban; Li, Hao-Ze; Meng, Xiao; Lin, Xin; Jiang, Yi-Yu; Ahn, Jong-Seog; Cui, Long

2017-09-01

Four new compounds, erythro-7'E-4-hydroxy-3,3'-dimethoxy-8,5'-oxyneoligna-7'-ene-7,9-diol-9'-al (1), (7S,8S)-4-hydroxy-3,1',3'-trimethoxy-4',7-epoxy-8,5'-neolign-9-ol (5), (7S,8S,7'E)-5-hydroxy-3,3'-dimethoxy-4',7-epoxy-8,5'-neolign-7'-ene-9,9'-diol (6) and (7S,8S,7'E)-5-hydroxy-3,3',9'-trimethoxy-4'-7-epoxy-8,5'-neolign-7'-ene-9-ol (7). Along with four known compounds (2-4, 8) were isolated from the EtOAc-soluble extract of Eleutherococcus senticosus. Their structures were elucidated on the basis of spectroscopic and physicochemical analyses. All the compounds were evaluated for in vitro inhibitory activity against PTP1B, VHR and PP1. Among them, compounds 1-4 and 6-8 were found to exhibit selective inhibitory activity on PTP1B with IC 50 values ranging from 17.2±1.6 to 32.7±1.2μM. Copyright © 2017 Elsevier B.V. All rights reserved.

Liquid-liquid equilibria for 2,3-butanediol + water + organic solvents at 303. 15 K

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sharma, S.; Pandya, G.; Chakrabarti, T.

1994-10-01

2, 3-Butanediol, an important industrial chemical, is of interest because of its application as a solvent and liquid fuel additive. Liquid-liquid equilibria at 303.15 [+-] 0.5 K were measured for water + 2, 3-butanediol + butan-1-ol, + 3-methyl-1-butanol, + 4-methyl-2-pentanone, + tributyl phosphate, and + butyl acetate. Complete phase diagrams were obtained by evaluating the solubility and tie-line results for each ternary mixture. The consistency of the tie-line results was ascertained using an Othmer-Tobias plot. The distribution coefficient and separation factors were evaluated over the immiscibility region. Among the solvents studied, butan-1-ol is the most effective one though tributyl phosphatemore » and 3-methyl-1-butanol may be preferred because of their low solubility and high selectivity.« less

Estrogen increases latencies to seizures and levels of 5α-pregnan-3α-ol-20-one in hippocampus of wild-type, but not 5α-reductase knockout, mice

PubMed Central

Osborne, Danielle M.; Frye, Cheryl A.

2013-01-01

Sex steroids can influence seizures. Estrogen (E2), progesterone (P4), and its metabolite, 5α-pregnan-3α-ol-20-one (3α,5α-THP), in particular, have received much attention for exerting these effects. Typically, it is thought that E2 precipitates seizures, and progestogens, such as P4 and 3α,5α-THP, attenuate seizures. However, E2 may also have antiseizure effects, perhaps in part through its enhancement of the formation of 3α,5α-THP, which has GABAA/benzodiazepine receptor agonist-like actions. To test this hypothesis, male and female, castrated or ovariectomized, wild-type and 5α-reductase knockout mice were implanted with Silastic capsules of E2 or vehicle and then administered pentylenetetrazol (85 mg/kg, ip). Wild-type, but not 5α-reductase knockout, mice administered E2 had significantly longer latencies to myoclonus and increased levels of 3α,5α-THP in the hippocampus. Thus, some of the anticonvulsive effects of E2 may involve formation of 3α,5α-THP in the hippocampus. PMID:19782646

Inhibition of Drp1 hyper-activation is protective in animal models of experimental multiple sclerosis.

PubMed

Luo, Fucheng; Herrup, Karl; Qi, Xin; Yang, Yan

2017-06-01

Multiple Sclerosis (MS), a leading neurological disorder of young adults, is characterized by the loss of oligodendrocytes (OLs), demyelination, inflammation and neuronal degeneration. Here we show that dynamin-related protein 1 (Drp1), a mitochondrial fission protein, is activated in primary OL cells exposed to TNF-α induced inflammation or oxidative stress, as well as in EAE-immunized and cuprizone toxicity-induced demyelinating mouse models. Inhibition of Drp1 hyper-activation by the selective inhibitor P110 abolishes Drp1 translocation to the mitochondria, reduces mitochondrial fragmentation and stems necrosis in primary OLs exposed to TNF-α and H 2 O 2 . Notably, in both types of mouse models, treatment with P110 significantly reduces the loss of mature OLs and demyelination, attenuates the number of active microglial cells and astrocytes, yet has no effect on the differentiation of oligodendrocyte precursor cells. Drp1 activation appears to be mediated through the RIPK1/RIPK3/MLKL/PGAM5 pathway during TNF-α-induced oligodendroglia necroptosis. Our results demonstrate a critical role of Drp1 hyper-activation in OL cell death and suggest that an inhibitor of Drp1 hyper-activation such as P110 is worth exploring for its ability to halt or slow the progression of MS. Copyright © 2017 Elsevier Inc. All rights reserved.

Monitoring codling moth (Lepidoptera: Tortricidae) in sex phermone-treated orchards with (E)-4,8-dimethyl-1,3,7-nonatriene or pear ester in combination with codlemone and acetic acid

USDA-ARS?s Scientific Manuscript database

Traps baited with ethyl (E,Z)-2,4-decadienoate (pear ester) or (E)-4,8-dimethyl-1,3,7-nonatriene (DMNT) in two- or three-way combinations with the sex pheromone (E,E)-8,10-dodecadien-1-ol (codlemone) and acetic acid (AA) were evaluated for codling moth, Cydia pomonella (L.). All studies were conduct...

Outdoor Living Skills: Instructors Manual for Administering the OLS Program in a Camp and for Teaching the Program Leader Course. Revised Edition.

ERIC Educational Resources Information Center

American Camping Association, Martinsville, IN.

This manual is designed as a tool for teaching and administering the Outdoor Living Skills (OLS) program in a camp and for training program leaders. Introductory sections address the following: (1) program overview and program materials; (2) people and their environment (physiological and psychological concerns of children and youth, understanding…

High-mobility group box-1 as an autocrine trophic factor in white matter stroke.

PubMed

Choi, Jun Young; Cui, Yuexian; Chowdhury, Samma Tasneem; Kim, Byung Gon

2017-06-20

Maintenance of white matter integrity in health and disease is critical for a variety of neural functions. Ischemic stroke in the white matter frequently results in degeneration of oligodendrocytes (OLs) and myelin. Previously, we found that toll-like receptor 2 (TLR2) expressed in OLs provides cell-autonomous protective effects on ischemic OL death and demyelination in white matter stroke. Here, we identified high-mobility group box-1 (HMGB1) as an endogenous TLR2 ligand that promotes survival of OLs under ischemic stress. HMGB1 rapidly accumulated in the culture medium of OLs exposed to oxygen-glucose deprivation (OGD). This conditioned medium exhibited a protective activity against ischemic OL death that was completely abolished by immunodepletion of HMGB1. Knockdown of HMGB1 or application of glycyrrhizin, a specific HMGB1 inhibitor, aggravated OGD-induced OL death, and recombinant HMGB1 application reduced the extent of OL death in a TLR2-dependent manner. We confirmed that cytosolic translocation of HMGB1 and activation of TLR2-mediated signaling pathways occurred in a focal white matter stroke model induced by endothelin-1 injection. Animals with glycyrrhizin coinjection showed an expansion of the demyelinating lesion in a TLR2-dependent manner, accompanied by aggravation of sensorimotor behavioral deficits. These results indicate that HMGB1/TLR2 activates an autocrine trophic signaling pathways in OLs and myelin to maintain structural and functional integrity of the white matter under ischemic conditions.

Experimental, DFT and molecular docking studies on 2-(2-mercaptophenylimino)-4-methyl-2H-chromen-7-ol

NASA Astrophysics Data System (ADS)

Singh, Ashok Kumar; Singh, Ravindra Kumar

2016-10-01

A new coumarin derivative 2-(2-mercaptophenylimino)-4-methyl-2H-chromen-7-ol (COMSB) was synthesized and characterized with the help of 1H,13C NMR, FT-IR, FT-Raman and mass spectrometry. All quantum calculations were performed at DFT level of theory using B3LYP functional and 6-31G (d,p) as basis set. The UV-Vis spectrum studied by TD-DFT theory, with a hybrid exchange-correlation functional using Coulomb-attenuating method (CAM-B3LYP) in solvent phase gives similar pattern of bands, at energies and is consistent with that of experimental findings. The detailed analysis of vibrational (IR and Raman) spectra and their assignments has been done by computing Potential Energy Distribution (PED) using Gar2ped. Intra-molecular interactions were analyzed by 'Atoms in molecule' (AIM) approach. Computed first static hyperpolarizability (β0 = 8.583 × 10-30 esu) indicates non-linear optical (NLO) response of the molecule. Molecular docking studies show that the title molecule may act as potential acetylcholine esterase (AChE) inhibitor.

Inhibitory activity of synthesized acetylated Procyanidin B1 analogs against HeLa S3 cells proliferation.

PubMed

Okamoto, Syuhei; Ishihara, Sayaka; Okamoto, Taisuke; Doi, Syoma; Harui, Kota; Higashino, Yusuke; Kawasaki, Takashi; Nakajima, Noriyuki; Saito, Akiko

2014-02-04

Proanthocyanidins, also known as condensed tannins and/or oligomeric flavonoids, occur in many edible plants and have various interesting biological activities. Previously, we reported a synthetic method for the preparation of various procyanidins in pure form and described their biological activities. Here, we describe the synthesis of procyanidin B1 acetylated analogs and discuss their inhibition activities against HeLa S3 cell proliferation. Surprisingly, the lower-unit acetylated procyanidin B1 strongly inhibited the proliferation of HeLa S3 cells. This molecule showed much stronger inhibitory activity than did epigallocatechin-3-O-gallate (EGCG), green tea polyphenol, and dimeric compounds that included EGCG as a unit. This result suggests that the phenolic hydroxyl groups of the upper-units in flavan-3-ols are important for their inhibitory activity against cancer cell proliferation and that a hydrophobic lower unit dimer enhances this activity.

A New Test of Linear Hypotheses in OLS Regression under Heteroscedasticity of Unknown Form

ERIC Educational Resources Information Center

Cai, Li; Hayes, Andrew F.

2008-01-01

When the errors in an ordinary least squares (OLS) regression model are heteroscedastic, hypothesis tests involving the regression coefficients can have Type I error rates that are far from the nominal significance level. Asymptotically, this problem can be rectified with the use of a heteroscedasticity-consistent covariance matrix (HCCM)…

a Comparison Between Two Ols-Based Approaches to Estimating Urban Multifractal Parameters

NASA Astrophysics Data System (ADS)

Huang, Lin-Shan; Chen, Yan-Guang

Multifractal theory provides a new spatial analytical tool for urban studies, but many basic problems remain to be solved. Among various pending issues, the most significant one is how to obtain proper multifractal dimension spectrums. If an algorithm is improperly used, the parameter spectrums will be abnormal. This paper is devoted to investigating two ordinary least squares (OLS)-based approaches for estimating urban multifractal parameters. Using empirical study and comparative analysis, we demonstrate how to utilize the adequate linear regression to calculate multifractal parameters. The OLS regression analysis has two different approaches. One is that the intercept is fixed to zero, and the other is that the intercept is not limited. The results of comparative study show that the zero-intercept regression yields proper multifractal parameter spectrums within certain scale range of moment order, while the common regression method often leads to abnormal multifractal parameter values. A conclusion can be reached that fixing the intercept to zero is a more advisable regression method for multifractal parameters estimation, and the shapes of spectral curves and value ranges of fractal parameters can be employed to diagnose urban problems. This research is helpful for scientists to understand multifractal models and apply a more reasonable technique to multifractal parameter calculations.

Chemopreventive effects of 13alpha,14alpha-epoxy-3beta-methoxyserratan-21beta-ol (PJJ-34), a serratane-type triterpenoid, in a rat multi-organ carcinogenesis bioassay.

PubMed

Doi, Kenichiro; Sakai, Kuniyoshi; Tanaka, Reiko; Toma, Kaori; Yamaguchi, Takashi; Wei, Min; Fukushima, Shoji; Wanibuchi, Hideki

2010-03-28

A novel serratane-type triterpenoid, 13alpha,14alpha-epoxy-3beta-methoxyserratan-21beta-ol (PJJ-34) derived from cuticles of Picea jezoensis Carr. var. jezoensis, has proved to be highly effective at suppressing carcinogenesis both in vitro and in vivo. To investigate possible anti-carcinogenic efficacy at the whole-body level, male Fischer 344 rats were subjected to an established rat multi-organ carcinogenesis bioassay (DMBDD model). After initiation with five carcinogens, groups 1-3 (20 in each) were intragastrically (i.g.) administered PJJ-34 dissolved in 1 ml of 0.5% CMC (5 times/week) at doses of 0, 5 and 10mg/kg body weight (b.w.), respectively, until the end of week 30. PJJ-34 did not show apparent toxicity. Incidences of adenomas (100-->75%) and carcinomas (63-->30%) in the lung were significantly decreased in the 5mg/kg b.w. group, and multiplicity of alveolar hyperplasias and total lung tumors (adenomas+carcinomas) were significantly reduced by both 5 and 10mg/kg. The incidence of colorectal tumors was also significantly decreased in the 10mg/kg group (63-->28%) along with the multiplicity. Rat liver pre-neoplastic lesions, glutathione S-transferase placental form (GST-P) foci, and tumor development in the other organs were not affected. Immunohistochemical indices for proliferating cell nuclear antigen (PCNA) and cyclin D1 in normal alveolar epithelium of the lung were significantly suppressed at both doses. In conclusion, PJJ-34 is chemopreventive against lung and colon carcinogenesis without exerting apparent toxicity, and suppression of cell proliferation could play a key role in the underlying mechanisms. Copyright 2009 Elsevier Ireland Ltd. All rights reserved.

Thermodynamic and acoustical properties of mixtures p-anisaldehyde—alkanols (C1-C4)—2-methyl-1-propanol at 303.15 K

NASA Astrophysics Data System (ADS)

Saini, Balwinder; Kumar, Ashwani; Rani, Ruby; Bamezai, Rajinder K.

2016-07-01

The density, viscosity and speed of sound of pure p-anisaldehyde and some alkanols, for example, methanol, ethanol, propan-1-ol, propan-2-ol, butan-1-ol, butan-2-ol, 2-methylpropan-1-ol, and the binary mixtures of p-anisaldehyde with these alkanols were measured over the entire composition range at 303.15 K. From the experimental data, various thermodynamic parameters such as excess molar volume ( V E), excess Gibbs free energy of activation (Δ G*E), and deviation parameters like viscosity (Δη), speed of sound (Δ u), isentropic compressibility (Δκs), are calculated. The excess as well as deviation parameters are fitted to Redlich—Kister equation. Additionally, the viscosity data for the systems has been used to correlate the application of empirical relation given by Grunberg and Nissan, Katti and Chaudhari, and Hind et al. The results are discussed in terms of specific interactions present in the mixtures.

Structure–Activity Relationships for a Novel Series of Dopamine D2-like Receptor Ligands Based on N-Substituted 3-Aryl-8-azabicyclo[3.2.1]octan-3-ol

PubMed Central

Paul, Noel M.; Taylor, Michelle; Kumar, Rakesh; Deschamps, Jeffrey R.; Luedtke, Robert R.; Newman, Amy Hauck

2011-01-01

Discovering dopamine D2-like receptor subtype-selective ligands has been a focus of significant investigation. The D2R-selective antagonist 3-[4-(4-chlorophenyl)-4-hydroxypiperidinyl]methylindole (1, L741,626; Ki(D2R/D3R) = 11.2:163 nM) has previously provided a lead template for chemical modification. Herein, analogues have been synthesized where the piperidine was replaced by a tropane ring that reversed the selectivity seen in the parent compound, in human hD2LR- or hD3R-transfected HEK 293 cells (31, Ki(D2R/D3R) = 33.4: 15.5 nM). Further exploration of both N-substituted and aryl ring-substituted analogues resulted in the discovery of several high affinity D2R/D3R ligands with 3-benzofurylmethyl-substituents (e.g., 45, Ki(D2R/D3R) = 1.7:0.34 nM) that induced high affinity not achieved in similarly N-substituted piperidine analogues and significantly (470-fold) improved D3R binding affinity compared to the parent ligand 1. X-ray crystallographic data revealed a distinctive spatial arrangement of pharmacophoric elements in the piperidinol vs tropine analogues, providing clues for the diversity in SAR at the D2 and D3 receptor subtypes. PMID:18774793

Project CHECO Southeast Asia Report. Search and Rescue Operations in SEA, 1 January 1971 - 31 March 1972

DTIC Science & Technology

1972-10-17

minus four aircraft and approximately 100 personnel) had joined Det 4 of the 3ARRGp and was performing its 3- mission from Korat RTAFB, Thailand.-2 m...RTAFB, Thailand m Det 4 Korat RTAFB, Thailand Det 5 Udorn RTAFB, Thailand 3 Det 12 U-Tapao Royal Thai Naval Base (RTNB), Thailand m Det 14 Tan Son Nhut...1UPOR~ NAKHON PANOJM OL-B RCC 40ARRS Det 5, 3ARRG THAILAND KORAT * umm B NN O RU Det ANRG FOL, -0-AA S OL-A RCC ; SVN U U-APAOCAMBODIA Det RRG BIEN HOA

Word Criticality Analysis. MOS: 15E. Skill Level 1 and 2

DTIC Science & Technology

1981-09-01

3 LADOE 6102 3 LAI’VARtD 711 3 LLVLS .69P1 .... ................. . • 3 LFVrR 22+8 6#. 69,1 32#1 3 L lTI:G 22*2 5*1...3 SE 21! ENCE 12*1 60*1 1 SFa-c’zCEs 4*1 142P1 3SE4EUTIAL ---- 9ol 33,1 34.1 - SERVICES 46*2 34.1- 3 SETS 34*1 - -3 SNAFT--𔃻- 9* *a _ f 4__

Regio- and Enantioselective Sequential Dehalogenation of rac-1,3-Dibromobutane by Haloalkane Dehalogenase LinB.

PubMed

Gross, Johannes; Prokop, Zbyněk; Janssen, Dick; Faber, Kurt; Hall, Mélanie

2016-08-03

The hydrolytic dehalogenation of rac-1,3-dibromobutane catalyzed by the haloalkane dehalogenase LinB from Sphingobium japonicum UT26 proceeds in a sequential fashion: initial formation of intermediate haloalcohols followed by a second hydrolytic step to produce the final diol. Detailed investigation of the course of the reaction revealed favored nucleophilic displacement of the sec-halogen in the first hydrolytic event with pronounced R enantioselectivity. The second hydrolysis step proceeded with a regioselectivity switch at the primary position, with preference for the S enantiomer. Because of complex competition between all eight possible reactions, intermediate haloalcohols formed with moderate to good ee ((S)-4-bromobutan-2-ol: up to 87 %). Similarly, (S)-butane-1,3-diol was formed at a maximum ee of 35 % before full hydrolysis furnished the racemic diol product. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Two shikimate dehydrogenases, VvSDH3 and VvSDH4, are involved in gallic acid biosynthesis in grapevine

PubMed Central

Bontpart, Thibaut; Marlin, Thérèse; Vialet, Sandrine; Guiraud, Jean-Luc; Pinasseau, Lucie; Meudec, Emmanuelle; Sommerer, Nicolas; Cheynier, Véronique; Terrier, Nancy

2016-01-01

In plants, the shikimate pathway provides aromatic amino acids that are used to generate numerous secondary metabolites, including phenolic compounds. In this pathway, shikimate dehydrogenases (SDH) ‘classically’ catalyse the reversible dehydrogenation of 3-dehydroshikimate to shikimate. The capacity of SDH to produce gallic acid from shikimate pathway metabolites has not been studied in depth. In grapevine berries, gallic acid mainly accumulates as galloylated flavan-3-ols. The four grapevine SDH proteins have been produced in Escherichia coli. In vitro, VvSDH1 exhibited the highest ‘classical’ SDH activity. Two genes, VvSDH3 and VvSDH4, mainly expressed in immature berry tissues in which galloylated flavan-3-ols are accumulated, encoded enzymes with lower ‘classical’ activity but were able to produce gallic acid in vitro. The over-expression of VvSDH3 in hairy-roots increased the content of aromatic amino acids and hydroxycinnamates, but had little or no effect on molecules more distant from the shikimate pathway (stilbenoids and flavan-3-ols). In parallel, the contents of gallic acid, β-glucogallin, and galloylated flavan-3-ols were increased, attesting to the influence of this gene on gallic acid metabolism. Phylogenetic analysis from dicotyledon SDHs opens the way for the examination of genes from other plants which accumulate gallic acid-based metabolites. PMID:27241494

Two shikimate dehydrogenases, VvSDH3 and VvSDH4, are involved in gallic acid biosynthesis in grapevine.

PubMed

Bontpart, Thibaut; Marlin, Thérèse; Vialet, Sandrine; Guiraud, Jean-Luc; Pinasseau, Lucie; Meudec, Emmanuelle; Sommerer, Nicolas; Cheynier, Véronique; Terrier, Nancy

2016-05-01

In plants, the shikimate pathway provides aromatic amino acids that are used to generate numerous secondary metabolites, including phenolic compounds. In this pathway, shikimate dehydrogenases (SDH) 'classically' catalyse the reversible dehydrogenation of 3-dehydroshikimate to shikimate. The capacity of SDH to produce gallic acid from shikimate pathway metabolites has not been studied in depth. In grapevine berries, gallic acid mainly accumulates as galloylated flavan-3-ols. The four grapevine SDH proteins have been produced in Escherichia coli In vitro, VvSDH1 exhibited the highest 'classical' SDH activity. Two genes, VvSDH3 and VvSDH4, mainly expressed in immature berry tissues in which galloylated flavan-3-ols are accumulated, encoded enzymes with lower 'classical' activity but were able to produce gallic acid in vitro The over-expression of VvSDH3 in hairy-roots increased the content of aromatic amino acids and hydroxycinnamates, but had little or no effect on molecules more distant from the shikimate pathway (stilbenoids and flavan-3-ols). In parallel, the contents of gallic acid, β-glucogallin, and galloylated flavan-3-ols were increased, attesting to the influence of this gene on gallic acid metabolism. Phylogenetic analysis from dicotyledon SDHs opens the way for the examination of genes from other plants which accumulate gallic acid-based metabolites. © The Author 2016. Published by Oxford University Press on behalf of the Society for Experimental Biology.

[Studies on the chemical constituents of the volatiles of Clerodendron bungei].

PubMed

Yu, Ai-nong

2004-02-01

To analyse chemical constituents of the volatiles of Clerodendron bungei. The volatiles of C. bungei were extracted through steam distillation, and then the constituents were separated by GC and identified by MS. 33 Compounds were identified. The principal chemical constituents of the volatiles of C. bungei are ethanol, acetone, 1-penten-3-ol,2-pentanol, (Z)-2-penten-1-ol, 3-furaldehyde, 3-hexen-1-ol, 4-hexen-1-ol, 1-hexanol, 1-octen-3-ol, 3-octanol, benzenemethanol, linal-ool oxide, trans-Linalool oxide, linalool,2,5-dimethylcyclohexanol, phenylethyl alcohol, etc.

Identification and two-photon imaging of oligodendrocyte in CA1 region of hippocampal slices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou Wei; Ge Wooping; Zeng Shaoqun

2007-01-19

Oligodendrocyte (OL) plays a critical role in myelination and axon maintenance in central nervous system. Recent studies show that OL can also express NMDA receptors in development and pathological situations in white matter. There is still lack of studies about OL properties and function in gray matter of brain. Here we reported that some glial cells in CA1 region of rat hippocampal slices (P15-23) had distinct electrophysiological characteristics from the other glia cells in this region, while they displayed uniform properties with OL from white matter in previous report; therefore, they were considered as OL in hippocampus. By loading dyemore » in recording pipette and imaging with two-photon laser scanning microscopy, we acquired the high spatial resolution, three-dimension images of these special cells in live slices. The OL in hippocampus shows a complex process-bearing shape and the distribution of several processes is parallel to Schaffer fiber in CA1 region. When stimulating Schaffer fiber, OL displays a long duration depolarization mediated by inward rectifier potassium channel. This suggested that the OL in CA1 region could sense the neuronal activity and contribute to potassium clearance.« less

Remedial Investigation Report, Presidio Main Installation, Presidio of San Francisco. Volume 3: Figures Sections 1-5

DTIC Science & Technology

1997-01-01

0 REFCE02F01 -TDEPTH 0.0’ 0- 0 I° IE T.DEPTH 00 LITOLOGY MS UTHOLOGY MISC Beryllium ɘ.1 Beryllium Y0 A211I RF 5REFCF09 REFCF07 REFCFO4 REFCF01PT 7 T...LITHOLOGY FILL B`EID 1BE11D1Copper 18.300 7.290 f 29𔃼�a a DEPTH 0.2’ 2.2 5.9 * LITOLOGY BE/DU FILL BE/DU S!Copper 32.200 44.400T LF7SBO6 1 11-6 112...34IGATION RESULTS. LC7 Pa 2I 2 2.80 ,%as I.’. aa-2 RA .1" "co SKEET RANGE* 6s4 es2 DEPTH 4.3Ŗ’~iS • • ~ ~ LITOLOGY BEIDU OL At Lead ɟ.440 H A i DEPTH

Analysis of post-earthquake reconstruction for Wenchuan earthquake based on night-time light data from DMSP/OLS

NASA Astrophysics Data System (ADS)

Cao, Yang; Zhang, Jing; Yang, Mingxiang; Lei, Xiaohui

2017-07-01

At present, most of Defense Meteorological Satellite Program's Operational Linescan System (DMSP/OLS) night-time light data are applied to large-scale regional development assessment, while there are little for the study of earthquake and other disasters. This study has extracted night-time light information before and after earthquake within Wenchuan county with adoption of DMSP/OLS night-time light data. The analysis results show that the night-time light index and average intensity of Wenchuan county were decreased by about 76% and 50% respectively from the year of 2007 to 2008. From the year of 2008 to 2011, the two indicators were increased by about 200% and 556% respectively. These research results show that the night-time light data can be used to extract the information of earthquake and evaluate the occurrence of earthquakes and other disasters.

Melt Transport and Mantle Assimilation at Atlantis Massif (IODP Site U1309): Evidence from Chemical Profiles along Olivine Crystallographic Axes

NASA Astrophysics Data System (ADS)

Ferrando, C.; Godard, M.; Ildefonse, B.; Rampone, E.

2017-12-01

Olivine-rich troctolites (Ol > 70%, Ol T) indicate that extensive melt impregnation of preexisting Ol rich lithologies participate to the building of slow spread crust. To constrain their origin and their impact on the structure and geochemistry of oceanic crust, we realized a multi-scale petro-structural, geochemical, and numerical modelling study of Ol T drilled at IODP Hole U1309D (Atlantis Massif, Exp. 304/305). Ol T display deformed (high temperature imprint) corroded coarse grained to undeformed fine grained Ol embayed in poikilitic Cpx and Plg. Ol crystallographic preferred orientations show [001] cluster suggesting formation after impregnation and assimilation of a deformed Ol rich matrix at high melt/rock ratios. Ol have variable major and minor element compositions, but similar fractionated REE (DyN/YbN = 0.04 - 0.11). Chemical traverses along principal crystallographic axes of Ol are flat suggesting local equilibrium between Ol and neighboring phases. 3 types of Ol T were distinguished. Ol T 1 - 2 display sharp contacts. Ol T 1 has Ol <75% (single grains) and primitive compositions (Mg# = 85-86; Ni = 1870-2840 ppm, Mn = 1570-1950 ppm; Li = 1.2 - 2.7 ppm). Ol T 2 have high Ol ( > 75%, dominantly aggregates) yet more evolved composition (Mg# = 83-84, Ni = 1790 - 2510 ppm, Mn = 1760 - 1990 ppm, Li = 1.5 - 3.9 ppm) in contrast to modal and composition trends predicted by MORB crystallization. Ol T 3 has diffusive contacts with gabbroic veins, variable modal Ol with the most evolved compositions and record late stages of Ol-T formation. Ol T compositions are best modelled assuming percolation of primitive MORB melts into Hole U1309B harzburgite, triggering Opx dissolution, followed by Ol assimilation and Plg + Cpx crystallization. Modelling shows that Ol Ni variations at constant Mg# in Ol T are mantle inherited. Ol T 1 compositions were fitted assuming higher Ol assimilation (Ma = 0.06 - 0.13) in contrast to Ol T 2 -3 (Ma = 0.01 - 0.02). Ol T 3 was `buffered

Benefits of a silica-based fluoride toothpaste containing o-cymen-5-ol, zinc chloride and sodium fluoride.

PubMed

Newby, Craig S; Rowland, Joanna L; Lynch, Richard J M; Bradshaw, David J; Whitworth, Darren; Bosma, Mary Lynn

2011-08-01

Fluoride toothpastes in conjunction with tooth brushing are used to clean teeth, control plaque build-up and for anti-caries benefits. Toothpastes are designed with attractive flavours and appearances to encourage regular prolonged use to maximise these benefits. The incorporation of additional ingredients into toothpaste is a convenient way to provide supplementary protection that fits into people's everyday oral care routine. Such ingredients should not compromise the primary health benefits of toothpaste nor discourage its use. o-Cymen-5-ol and zinc chloride have been incorporated into a sodium fluoride (NaF)/silica toothpaste at 0.1%w/w and 0.6%w/w respectively to provide additional benefits. These include improved gingival health maintenance, in terms of the reduction of plaque, gingival index and bleeding, and an immediate and long lasting reduction in volatile sulfur compounds (VSCs) measured on breath. These benefits can be attributed to the antimicrobial and neutralisation actions of the toothpaste. The use of established fluoride models demonstrated no compromise in NaF bioavailability. The toothpaste was formulated without compromising product aesthetics. The combination of o-cymen-5-ol and zinc chloride in toothpaste gave superior maintenance of gingival health and reduction in malodour related VSCs without compromising the primary health benefits of the toothpaste or diminishing attributes preferred for the product's use. © 2011 FDI World Dental Federation.

sym-Trisubstituted 1,3,5-Triazine Derivatives as Promising Organic Corrosion Inhibitors for Steel in Acidic Solution.

PubMed

El-Faham, Ayman; Dahlous, Kholood A; Al Othman, Zeid A; Al-Lohedan, Hamad A; El-Mahdy, Gamal A

2016-03-31

Triazine derivatives, namely, 2,4,6-tris(quinolin-8-yloxy)-1,3,5-triazine (T3Q), N²,N⁴,N⁶-tris(pyridin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine (T3AMPy) and 2,2',2''-[(1,3,5-triazine-2,4,6-triyl)tris(azanediyl)] tris(ethan-1-ol) (T3EA) were synthesized and their inhibition of steel corrosion in hydrochloric acid solution was investigated using electrochemical techniques. The corrosion protection of the prepared compounds increased with increasing concentration and reached up to 98% at 250 ppm. The adsorption of T3Q, T3AMPy, and T3EA on the steel surface was in accordance with the Langmuir adsorption isotherm. The electrochemical results revealed that T3Q, T3AMPy and T3EA act as excellent organic inhibitors and can labeled as mixed type inhibitors. The efficiencies of the tested compounds were affected by the nature of the side chain present in the triazine ring, where T3EA gave the least inhibition while T3Q and T3AMPy gave higher and almost the same inhibition effects. The inhibition efficiencies obtained from the different electrochemical techniques were in good agreement.

An iodocyclization approach to substituted 3-iodothiophenes.

PubMed

Gabriele, Bartolo; Mancuso, Raffaella; Salerno, Giuseppe; Larock, Richard C

2012-09-07

A novel approach to 3-iodothiophenes by direct iodocyclization of alkynylthiol derivatives is presented. A variety of 1-mercapto-3-yn-2-ols 5 (readily available from alkynylation of the corresponding alpha-mercapto ketones or alpha-mercapto esters) were smoothly converted into the corresponding 3-iodothiophene derivatives 6 in good yields by reaction with molecular iodine in the presence of NaHCO(3) at room temperature in MeCN as the solvent.

(2R,3S,4R)-3,4-Isopropyl­idenedi­oxy-2-(phenyl­sulfonyl­meth­yl)pyrrolidin-1-ol

PubMed Central

Flores, Mari Fe; Garcia, Pilar; M. Garrido, Narciso; Sanz, Francisca; Diez, David

2012-01-01

The title compound, C14H19NO5S, was prepared by nucleophilic addition of the lithium derivative of methyl­phenyl­sulfone to (3S,4R)-3,4-isopropyl­idene­dioxy­pyrroline 1-oxide. There are four mol­ecules in the asymmetric unit. The crystal structure determination confirms the configuration of the chiral centres as 2R,3S,4R. In the crystal, pairs of O—H⋯N hydrogen bonds link the mol­ecules into dimers. PMID:22904989

Olive leaves (Olea europaea L.) versus α-tocopheryl acetate as dietary supplements for enhancing the oxidative stability of eggs enriched with very-long-chain n-3 fatty acids.

PubMed

Botsoglou, Evropi N; Govaris, Alexandros K; Ambrosiadis, Ioannis A; Fletouris, Dimitrios J

2013-06-01

Ninety-six brown Lohmann laying hens were equally assigned into four groups with six replicates. Hens within the control group were given a corn/soybean-based diet supplemented with 30 g kg(-1) fish oil. Two other groups were given the same diet further supplemented with olive leaves at 5 (OL5) and 10 (OL10) g kg(-1) respectively, while the diet of the fourth group was supplemented with α-tocopheryl acetate (TOC) at 200 mg kg(-1). Eggs were analysed for lipid hydroperoxide and malondialdehyde (MDA) contents, fatty acid profile, α-tocopherol content and susceptibility to iron-induced lipid oxidation. Neither OL nor TOC supplementation affected (P>0.05) the fatty acid composition. Dietary supplementation with OL10 or TOC reduced (P≤0.05) the lipid hydroperoxide content but exerted no (P>0.05) effect on the MDA content of fresh eggs compared with controls. Eggs submitted to iron-induced lipid oxidation from the OL5 group presented higher (P≤0.05) MDA levels than the control but lower (P≤0.05) than the OL10 group. Eggs from the TOC group presented lower (P≤0.05) MDA levels compared with all groups at all incubation time points. The results of this study suggested that dietary supplementation with both OL10 and TOC could protect n-3 fatty acids in eggs from deterioration. © 2012 Society of Chemical Industry.

Identification of S-3-(hexanal)-glutathione and its bisulfite adduct in grape juice from Vitis vinifera L. cv. Sauvignon blanc as new potential precursors of 3SH.

PubMed

Thibon, Cécile; Böcker, Caroline; Shinkaruk, Svitlana; Moine, Virginie; Darriet, Philippe; Dubourdieu, Denis

2016-05-15

Two main precursors (S-3-(hexan-1-ol)-l-cysteine and S-3-(hexan-1-ol)-l-glutathione) of 3-sulfanylhexanol (3SH, formerly named 3-mercaptohexanol) have been identified so far in grape juice but a correlation between precursor concentrations in grape juices and 3SH concentrations in wines is not always observed. This suggests that there may be other compounds associated with the aromatic potential. In this work, S-3-(hexanal)-glutathione (Glut-3SH-Al) and its bisulfite (Glut-3SH-SO3) adduct were identified in Sauvignon blanc grape juice by liquid chromatography coupled to Fourier transform mass spectrometry experiments. A partial purification of the compounds was carried out by Medium Pressure Liquid Chromatography (MPLC) on the reverse phase using 5L of grape juice. The addition of synthetized Glut-3SH-Al and Glut-3SH-SO3 in the synthetic medium induced a significant release of 3SH after fermentation. Moreover, we demonstrate that Glut-3SH-Al and its bisulfite adduct are present in grape juice and could be considered as new direct 3SH precursors with molar conversion yields close to 0.4%. Copyright © 2016. Published by Elsevier Ltd.

Day and Night Closed-Loop Control in Adults With Type 1 Diabetes

PubMed Central

Luijf, Yoeri M.; DeVries, J. Hans; Zwinderman, Koos; Leelarathna, Lalantha; Nodale, Marianna; Caldwell, Karen; Kumareswaran, Kavita; Elleri, Daniela; Allen, Janet M.; Wilinska, Malgorzata E.; Evans, Mark L.; Hovorka, Roman; Doll, Werner; Ellmerer, Martin; Mader, Julia K.; Renard, Eric; Place, Jerome; Farret, Anne; Cobelli, Claudio; Del Favero, Simone; Dalla Man, Chiara; Avogaro, Angelo; Bruttomesso, Daniela; Filippi, Alessio; Scotton, Rachele; Magni, Lalo; Lanzola, Giordano; Di Palma, Federico; Soru, Paola; Toffanin, Chiara; De Nicolao, Giuseppe; Arnolds, Sabine; Benesch, Carsten; Heinemann, Lutz

2013-01-01

OBJECTIVE To compare two validated closed-loop (CL) algorithms versus patient self-control with CSII in terms of glycemic control. RESEARCH DESIGN AND METHODS This study was a multicenter, randomized, three-way crossover, open-label trial in 48 patients with type 1 diabetes mellitus for at least 6 months, treated with continuous subcutaneous insulin infusion. Blood glucose was controlled for 23 h by the algorithm of the Universities of Pavia and Padova with a Safety Supervision Module developed at the Universities of Virginia and California at Santa Barbara (international artificial pancreas [iAP]), by the algorithm of University of Cambridge (CAM), or by patients themselves in open loop (OL) during three hospital admissions including meals and exercise. The main analysis was on an intention-to-treat basis. Main outcome measures included time spent in target (glucose levels between 3.9 and 8.0 mmol/L or between 3.9 and 10.0 mmol/L after meals). RESULTS Time spent in the target range was similar in CL and OL: 62.6% for OL, 59.2% for iAP, and 58.3% for CAM. While mean glucose level was significantly lower in OL (7.19, 8.15, and 8.26 mmol/L, respectively) (overall P = 0.001), percentage of time spent in hypoglycemia (<3.9 mmol/L) was almost threefold reduced during CL (6.4%, 2.1%, and 2.0%) (overall P = 0.001) with less time ≤2.8 mmol/L (overall P = 0.038). There were no significant differences in outcomes between algorithms. CONCLUSIONS Both CAM and iAP algorithms provide safe glycemic control. PMID:24170747

Cytotoxic constituents from the mangrove endophytic Pestalotiopsis sp. induce G0/G1 cell cycle arrest and apoptosis in human cancer cells.

PubMed

Zhou, Jing; Li, Gang; Deng, Qin; Zheng, Dongyao; Yang, Xiaobo; Xu, Jing

2017-10-31

Chemical examination of Chinese mangrove Rhizophora mucronata endophytic Pestalotiopsis sp., yielded  11 known metabolites with various structure types, including demethylincisterol A 3 (1), dankasterone B (2), (22E, 24R)-ergosta-7,9(11), 22-triene-3β, 5α, 6α-triol (3), ergosta-5,7,22-trien-3-ol (4), 5, 8-epidioxy-5, 8-ergosta-6, 22E-dien-3-ol (5), stigmastan-3-one (6), stigmast-4-en-3-one (7), stigmast-4-en-6 -ol-3-one (8), flufuran (9), (2-cis, 4-trans)-abscisic acid (10), similanpyrone B (11). Their structures were unambiguously elucidated on the basis of extensive NMR spectroscopic and mass spectrometric analyses. Compounds 1, 4, 6-9 showed significant in vitro cytotoxicity against the human cancer cell lines Hela, A549 and HepG, of which compound 1 was the most potential with IC 50 values reaching nM degree ranging from 0.17 to 14.16 nM. Flow cytometric investigation demonstrated that compound 1 mainly inhibited cell cycle at G 0 /G 1 phase in a dose-dependent manner with a significant induction of apoptosis on the three tested cell lines. The involvement of the mitochondria in compound 1 induced apoptosis was investigated using MMP. We suggested that R. mucronata endophytic Pestalotiopsis sp. contained a potential anticancer compound demethylincisterol A 3 .

The Gymnosperm Cytochrome P450 CYP750B1 Catalyzes Stereospecific Monoterpene Hydroxylation of (+)-Sabinene in Thujone Biosynthesis in Western Redcedar1[OPEN

PubMed Central

Blaukopf, Markus; Yuen, Macaire M.S.; Withers, Stephen G.; Mattsson, Jim; Russell, John H.; Bohlmann, Jörg

2015-01-01

Western redcedar (WRC; Thuja plicata) produces high amounts of oxygenated thujone monoterpenoids associated with resistance against herbivore feeding, particularly ungulate browsing. Thujones and other monoterpenoids accumulate in glandular structures in the foliage of WRC. Thujones are produced from (+)-sabinene by sabinol and sabinone. Using metabolite analysis, enzyme assays with WRC tissue extracts, cloning, and functional characterization of cytochrome P450 monooxygenases, we established that trans-sabin-3-ol but not cis-sabin-3-ol is the intermediate in thujone biosynthesis in WRC. Based on transcriptome analysis, full-length complementary DNA cloning, and characterization of expressed P450 proteins, we identified CYP750B1 and CYP76AA25 as the enzymes that catalyze the hydroxylation of (+)-sabinene to trans-sabin-3-ol. Gene-specific transcript analysis in contrasting WRC genotypes producing high and low amounts of monoterpenoids, including a glandless low-terpenoid clone, as well as assays for substrate specificity supported a biological role of CYP750B1 in α- and β-thujone biosynthesis. This P450 belongs to the apparently gymnosperm-specific CYP750 family and is, to our knowledge, the first member of this family to be functionally characterized. In contrast, CYP76AA25 has a broader substrate spectrum, also converting the sesquiterpene farnesene and the herbicide isoproturon, and its transcript profiles are not well correlated with thujone accumulation. PMID:25829465

Evaluation of NPP-VIIRS Nighttime Light Data for Mapping Global Fossil Fuel Combustion CO2 Emissions: A Comparison with DMSP-OLS Nighttime Light Data.

PubMed

Ou, Jinpei; Liu, Xiaoping; Li, Xia; Li, Meifang; Li, Wenkai

2015-01-01

Recently, the stable light products and radiance calibrated products from Defense Meteorological Satellite Program's (DMSP) Operational Linescan System (OLS) have been useful for mapping global fossil fuel carbon dioxide (CO2) emissions at fine spatial resolution. However, few studies on this subject were conducted with the new-generation nighttime light data from the Visible Infrared Imaging Radiometer Suite (VIIRS) sensor on the Suomi National Polar-orbiting Partnership (NPP) Satellite, which has a higher spatial resolution and a wider radiometric detection range than the traditional DMSP-OLS nighttime light data. Therefore, this study performed the first evaluation of the potential of NPP-VIIRS data in estimating the spatial distributions of global CO2 emissions (excluding power plant emissions). Through a disaggregating model, three global emission maps were then derived from population counts and three different types of nighttime lights data (NPP-VIIRS, the stable light data and radiance calibrated data of DMSP-OLS) for a comparative analysis. The results compared with the reference data of land cover in Beijing, Shanghai and Guangzhou show that the emission areas of map from NPP-VIIRS data have higher spatial consistency of the artificial surfaces and exhibit a more reasonable distribution of CO2 emission than those of other two maps from DMSP-OLS data. Besides, in contrast to two maps from DMSP-OLS data, the emission map from NPP-VIIRS data is closer to the Vulcan inventory and exhibits a better agreement with the actual statistical data of CO2 emissions at the level of sub-administrative units of the United States. This study demonstrates that the NPP-VIIRS data can be a powerful tool for studying the spatial distributions of CO2 emissions, as well as the socioeconomic indicators at multiple scales.

Evaluation of NPP-VIIRS Nighttime Light Data for Mapping Global Fossil Fuel Combustion CO2 Emissions: A Comparison with DMSP-OLS Nighttime Light Data

PubMed Central

Ou, Jinpei; Liu, Xiaoping; Li, Xia; Li, Meifang; Li, Wenkai

2015-01-01

Recently, the stable light products and radiance calibrated products from Defense Meteorological Satellite Program’s (DMSP) Operational Linescan System (OLS) have been useful for mapping global fossil fuel carbon dioxide (CO2) emissions at fine spatial resolution. However, few studies on this subject were conducted with the new-generation nighttime light data from the Visible Infrared Imaging Radiometer Suite (VIIRS) sensor on the Suomi National Polar-orbiting Partnership (NPP) Satellite, which has a higher spatial resolution and a wider radiometric detection range than the traditional DMSP-OLS nighttime light data. Therefore, this study performed the first evaluation of the potential of NPP-VIIRS data in estimating the spatial distributions of global CO2 emissions (excluding power plant emissions). Through a disaggregating model, three global emission maps were then derived from population counts and three different types of nighttime lights data (NPP-VIIRS, the stable light data and radiance calibrated data of DMSP-OLS) for a comparative analysis. The results compared with the reference data of land cover in Beijing, Shanghai and Guangzhou show that the emission areas of map from NPP-VIIRS data have higher spatial consistency of the artificial surfaces and exhibit a more reasonable distribution of CO2 emission than those of other two maps from DMSP-OLS data. Besides, in contrast to two maps from DMSP-OLS data, the emission map from NPP-VIIRS data is closer to the Vulcan inventory and exhibits a better agreement with the actual statistical data of CO2 emissions at the level of sub-administrative units of the United States. This study demonstrates that the NPP-VIIRS data can be a powerful tool for studying the spatial distributions of CO2 emissions, as well as the socioeconomic indicators at multiple scales. PMID:26390037

A laboratory evaluation of alcohols as attractants for the sandfly Lutzomyia longipalpis (Diptera:Psychodidae).

PubMed

Magalhães-Junior, Jairo Torres; Barrouin-Melo, Stella Maria; Corrêa, Arlene Gonçalves; da Rocha Silva, Flavia Benini; Machado, Vicente Estevam; Govone, José Silvio; Pinto, Mara Cristina

2014-02-06

The potential attraction from 1-octen-3-ol for sandflies has been documented; however, studies using other primary alcohols are limited. We used a wind tunnel to compare the activation and attractive behaviors in male and female Lutzomyia longipalpis using 1-octen-3-ol and three additional alcohols, 1-octanol, 1-heptanol and 1-nonanol at three different concentrations: neat (100%) and diluted in hexane (10% and 50%). The compounds 1-octen-3-ol and 1-nonanol induced a clear concentration-dependent activation and attraction response in females. In males, 1-octen-3-ol, 1-nonanol and 1-heptanol yielded the same results. L. longipalpis is attracted to 1-octen-3-ol, 1-nonanol and 1-heptanol, which are found in many plant volatiles.

Optical properties of Dy3+ doped YBO3 phosphor

NASA Astrophysics Data System (ADS)

Nair, Ramya G.; Nigam, Sandeep; Sudarsan, V.; Vatsa, R. K.

2018-04-01

Dysprosium doped YBO3 luminescent particleis synthesized via poly-ol method and by subsequent annealing at 800°C. The synthesized material has been characterized for structure properties using powder X-ray diffraction (XRD) and Fourier transform infrared (FTIR)spectroscopy. Photoluminescence properties of these samples are studiedby means of steady state measurements and decay curve. The phosphor shows characteristic transitions of Dy3+ in the excitation and emission spectra. Colour purity is determined in terms of yellow/blue ratio, which is found to be 1.8. The higher ratio of yellow/blue indicates that Dy3+ preferentially occupies the asymmetric site in host lattice. The average lifetime is found to be 1.1ms. The chromatic properties of the phosphor have been found to have chromaticity coordinates x = 0.245, y = 0.274.

Volatile constituents of Trichothecium roseum.

PubMed

Vanhaelen, M; Vanhaelen-Fastre, R; Geeraerts, J

1978-06-01

In the course of investigation of Trichothecium roseum (Fungi Imperfecti) for its attractancy against Tyrophagus putrescentiae (cheese mite), the twenty following volatile compounds produced at a very low concentration by the microfungus were identified by gc, gc/ms, gc/c.i.ms and tlc: 3-methyl-1-butanol, 3-octanone, 1-octen-3-one, 3-octanol, octa-1,5-dien-3 one, 1-octen-3-ol, 6-methyl-5-hepten-2-ol, octa-1,5-dien-3 ol, furfural, linalool, linalyl acetate, terpineol (alpha and beta) citronellyl acetate, nerol, citronellol, phenylacetaldehyde, benzyl alcohol geranyl acetate, 1-phenyl ethanol and nerolidol. Octa-1,5-dien-3-ol and octa-1,5-dien-3-one have not been previously isolated from fungi; octa-1,5-dien-3-ol is the most potent attractant amount the volatile compounds detected by gc.

A selected ion flow tube study of the reactions of H3O+, NO+ and O2+ with some oxygenated biogenic volatile organic compounds

NASA Astrophysics Data System (ADS)

Amelynck, C.; Schoon, N.; Kuppens, T.; Bultinck, P.; Arijs, E.

2005-12-01

The rate constants and product ion distributions of the reactions of H3O+, NO+ and O2+ with 2-methyl-3-buten-2-ol, cis-3-hexen-1-ol, cis-3-hexenyl acetate, 1,8-cineole, 6-methyl-5-hepten-2-one, camphor and linalool have been determined at 150 Pa and 297 K using a selected ion flow tube (SIFT). All reactions were found to proceed at a rate close to the collision rate, calculated with the Su and Chesnavich model, using the polarizability and electric dipole moment of the compounds derived from B3LYP/aug-cc-pVDZ quantum chemical calculations. Additionally the product ion distributions of the reactions of these three ions with the terpenoid alcohols nerol and geraniol have been obtained.

Stereospecific 1,4-addition to an alpha,beta-unsaturated steroidal epoxide: syntheses of new 15-oxygenated sterols.

PubMed

Parish, E J; Tsuda, M; Schroepfer, G J

1988-11-01

3 beta-Benzoyloxy-14 alpha,15 alpha-epoxy-5 alpha-cholest-7-ene (1) is a key intermediate in the synthesis of C-7 and C-15 oxygenated sterols. Treatment of 1 with benzoyl chloride resulted in the formation of 3 beta,15 alpha-bis-benzoyloxy-7 alpha-chloro-5 alpha-cholest-8(14)-ene (2). Reaction of 2 with LiAlH4 or LiAlD4 resulted in the formation of 5 alpha-cholest-7-ene-3 beta,15 alpha-diol (3a) or [14 alpha-2H]5 alpha-cholest-7-ene-3 beta,15 alpha-diol (3b). Diol 3b was selectively oxidized by Ag2CO3/celite to [14 alpha-2H]5 alpha-cholest-7-en-15 alpha-ol-3-one (4). Treatment of 1 with MeMgI/CuI gave 7 alpha-methyl-5 alpha-cholest-8(14)-ene-3 beta,15 alpha-diol (5). Selective oxidation of 5 with pyridinium chlorochromate (PCC)/pyridine or oxidation with PCC resulted in the formation of 7 alpha-methyl-5 alpha-cholest-8(14)-en-3 beta-ol-15-one (6) and 7 alpha-methyl-5 alpha-cholest-8(14)-ene-3,15-dione, respectively. Reduction of 6 with LiAlH4 yielded 5 and 7 alpha-methyl-5 alpha-cholest-8(14)-ene-3 beta,15 beta-diol (6). Reaction of 1 with benzoic acid/pyridine gave 3 beta,7 alpha-bis-benzoyloxy-5 alpha-cholest-8(14)-en-15 alpha-ol (9). Treatment of 9 with LiAlH4 or ethanolic KOH resulted in the formation of 5 alpha-cholest-8(14)-ene-3 beta,7 alpha,15 alpha-triol (10). Dibenzoate 9, upon brief treatment with mineral acid, gave 3 beta-benzoyloxy-5 alpha-cholest-8(14)-ene-15-one (11). Oxidation of 9 with PCC yielded 3 beta,7 alpha-bis-benzoyloxy-5 alpha-cholest-8(14)-ene-15-one (12). Ketone 12 was also prepared by the selective hydride reduction of 5 alpha-cholest-8(14)-en-7 alpha-ol-3,15-dione (13) to give 5 alpha-cholest-8(14)-ene-3 beta,7 alpha-diol-15-one (14), which was then treated with benzoyl chloride to produce 12.

1,2,4-Butanetriol: Analysis and Synthesis

DTIC Science & Technology

1982-12-08

also sought to lower the cost of 3-butene-l-ol by modification of the catalytic dehydration method commonly used to produce it from 1,3-butanediol. CH...monoepoxide of 1-methoxybutadiene, which on hydrolysis gives 3,4-dihydroxybutanal. This material can then be converted to BT by hydrogenation over Raney nickel...induce decomposition of reactive organics at elevated temperatures. The columns were usually heated in an oven from ’OQ0 to 300’% at 15%C per minute

Prescription Drug Abuse - Multiple Languages

MedlinePlus

... Spanish) PDF The basics - Opioids, part 1 - English MP3 The basics - Opioids, part 1 - español (Spanish) MP3 The basics - Opioids, part 1 - English MP4 The ... español (Spanish) PDF Pain - Opioids, part 2 - English MP3 Pain - Opioids, part 2 - español (Spanish) MP3 Pain - ...

TES/Aura L2 Water Vapor (H2O) Limb V6 (TL2H2OL)

Atmospheric Science Data Center

2018-03-01

TES/Aura L2 Water Vapor (H2O) Limb (TL2H2OL) News:  TES News ... Level:  L2 Platform:  TES/Aura L2 Water Vapor Spatial Coverage:  27 x 23 km Limb ... Access: OPeNDAP Parameters:  H2O Water Volume Mixing Radio Precision Vertical Resolution Order ...

The formation of 3 alpha- and 3 beta-acetoxytropanes by Datura stramonium transformed root cultures involves two acetyl-CoA-dependent acyltransferases.

PubMed

Robins, R J; Bachmann, P; Robinson, T; Rhodes, M J; Yamada, Y

1991-11-04

Tropine (tropan-3 alpha-ol) is an intermediate in the formation of hyoscyamine. An acyltransferase activity that can acetylate tropine using acetylcoenzyme A as cosubstrate has been found in transformed root cultures of Datura stramonium. A further acyltransferase activity that acetylates pseudotropine (tropan-3 beta-ol) with acetyl-coenzyme A is also present. These two activities can be partially resolved by anion-exchange chromatography, some fractions containing only the pseudotropine-utilizing activity. The basic properties of these two enzymes are reported and their roles in forming the observed alkaloid spectrum of D. stramonium roots discussed.

Your Baby's Growth: 3 Months

MedlinePlus

... Search English Español Your Baby's Growth: 3 Months KidsHealth / For Parents / Your Baby's Growth: 3 Months What's ... the Nemours Web site. Note: All information on KidsHealth® is for educational purposes only. For specific medical ...

Evaluation of Ordinary Least Square (OLS) and Geographically Weighted Regression (GWR) for Water Quality Monitoring: A Case Study for the Estimation of Salinity

NASA Astrophysics Data System (ADS)

Nazeer, Majid; Bilal, Muhammad

2018-04-01

Landsat-5 Thematic Mapper (TM) dataset have been used to estimate salinity in the coastal area of Hong Kong. Four adjacent Landsat TM images were used in this study, which was atmospherically corrected using the Second Simulation of the Satellite Signal in the Solar Spectrum (6S) radiative transfer code. The atmospherically corrected images were further used to develop models for salinity using Ordinary Least Square (OLS) regression and Geographically Weighted Regression (GWR) based on in situ data of October 2009. Results show that the coefficient of determination ( R 2) of 0.42 between the OLS estimated and in situ measured salinity is much lower than that of the GWR model, which is two times higher ( R 2 = 0.86). It indicates that the GWR model has more ability than the OLS regression model to predict salinity and show its spatial heterogeneity better. It was observed that the salinity was high in Deep Bay (north-western part of Hong Kong) which might be due to the industrial waste disposal, whereas the salinity was estimated to be constant (32 practical salinity units) towards the open sea.

TES/Aura L2 Water Vapor (H2O) Limb V6 (TL2H2OLS)

Atmospheric Science Data Center

2018-03-01

TES/Aura L2 Water Vapor (H2O) Limb (TL2H2OLS) News:  TES News ... Level:  L2 Platform:  TES/Aura L2 Water Vapor Spatial Coverage:  27 x 23 km Limb ... Access:  OPeNDAP Parameters:  H2O Water Volume Mixing Radio Precision Vertical Resolution Order ...

Generating the Nighttime Light of the Human Settlements by Identifying Periodic Components from DMSP/OLS Satellite Imagery.

PubMed

Letu, Husi; Hara, Masanao; Tana, Gegen; Bao, Yuhai; Nishio, Fumihiko

2015-09-01

Nighttime lights of the human settlements (hereafter, "stable lights") are seen as a valuable proxy of social economic activity and greenhouse gas emissions at the subnational level. In this study, we propose an improved method to generate the stable lights from Defense Meteorological Satellite Program/Operational Linescan System (DMSP/OLS) daily nighttime light data for 1999. The study area includes Japan, China, India, and other 10 countries in East Asia. A noise reduction filter (NRF) was employed to generate a stable light from DMSP/OLS time-series daily nighttime light data. It was found that noise from amplitude of the 1-year periodic component is included in the stable light. To remove the amplitude of the 1-year periodic component noise included in the stable light, the NRF method was improved to extract the periodic component. Then, new stable light was generated by removing the amplitude of the 1-year periodic component using the improved NRF method. The resulting stable light was evaluated by comparing it with the conventional nighttime stable light provided by the National Oceanic and Atmosphere Administration/National Geophysical Data Center (NOAA/NGDC). It is indicated that DNs of the NOAA stable light image are lower than those of the new stable light image. This might be attributable to the influence of attenuation effects from thin warm water clouds. However, due to overglow effect of the thin cloud, light area in new stable light is larger than NOAA stable light. Furthermore, the cumulative digital numbers (CDNs) and number of light area pixels (NLAP) of the generated stable light and NOAA/NGDC stable light were applied to estimate socioeconomic variables of population, electric power consumption, gross domestic product, and CO2 emissions from fossil fuel consumption. It is shown that the correlations of the population and CO2FF with new stable light data are higher than those in NOAA stable light data; correlations of the EPC and GDP with NOAA

Comparing the Cultural Dimensions and Learners' Perceived Effectiveness of Online Learning Systems (OLS) among American and Malaysian Learners

ERIC Educational Resources Information Center

Keng, Seng C.

2010-01-01

With the rapid and exponential growth of Internet use worldwide, online learning has become one of the most widely used learning paradigms in the education environment. Yet despite the rapidly increasing cultural diversity of online learners, few studies have investigated the effectiveness of cross-cultural Online Learning Systems (OLS) using a…

Synthesis and Mesomorphic Behavior of Poly((2S, 3S)-(+)-2-Chloro-3- Methylpentyl 4’-(Omega-Vinyloxyalkyloxy)biphenyl-4-Carboxylate)s with Ethyl and Propyl Alkyl Groups

DTIC Science & Technology

1994-06-30

1 . Synthesis of (2S, 3S)-(+)-2-chloro-3-methyl-pentyl 4’-(2-vinyloxyethyloxy) biphenyl-4-carboxylate (15-2...CH2)2-),7.65 (d, 3=8.3Hz, 2 ArH, m to -COO-), 8.11 (d, J=7.4Hz, 2 ArH, o to -COO-). 3-Chloroprop~yl- 1 -vinyl ether (13-3) The mixture of 3- chloropropan ...VA .% fo - " A’* *i f’. - % .oL.,ae- a * 1 nOl-6..io. Ocw. ’•.1ý’ ..a.. :l•t :...•.t ;,,31 -. 1 " 1 . 2 . 10 1 -- Of , • l 0’ i’*J.. e t *no suaqetg

Metabolic engineering for the high-yield production of isoprenoid-based C 5 alcohols in E. coli

DOE Office of Scientific and Technical Information (OSTI.GOV)

George, Kevin W.; Thompson, Mitchell G.; Kang, Aram

2015-06-08

Branched five carbon (C 5) alcohols are attractive targets for microbial production due to their desirable fuel properties and importance as platform chemicals. In this study, we engineered a heterologous isoprenoid pathway in E. coli for the high-yield production of 3-methyl-3-buten-1-ol, 3-methyl-2-buten-1-ol, and 3-methyl-1-butanol, three C 5 alcohols that serve as potential biofuels. We first constructed a pathway for 3-methyl-3-buten-1-ol, where metabolite profiling identified NudB, a promiscuous phosphatase, as a likely pathway bottleneck. We achieved a 60% increase in the yield of 3-methyl-3-buten-1-ol by engineering the Shine-Dalgarno sequence of nudB, which increased protein levels by 9-fold and reduced isopentenyl diphosphatemore » (IPP) accumulation by 4-fold. To further optimize the pathway, we adjusted mevalonate kinase (MK) expression and investigated MK enzymes from alternative microbes such as Methanosarcina mazei. Next, we expressed a fusion protein of IPP isomerase and the phosphatase (Idi1~NudB) along with a reductase (NemA) to diversify production to 3-methyl-2-buten-1-ol and 3-methyl-1-butanol. Lastly, we used an oleyl alcohol overlay to improve alcohol recovery, achieving final titers of 2.23 g/L of 3-methyl-3-buten-1-ol (~70% of pathway-dependent theoretical yield), 150 mg/L of 3-methyl-2-buten-1-ol, and 300 mg/L of 3-methyl-1-butanol.« less

Metabolic engineering for the high-yield production of isoprenoid-based C5 alcohols in E. coli

PubMed Central

George, Kevin W.; Thompson, Mitchell G.; Kang, Aram; Baidoo, Edward; Wang, George; Chan, Leanne Jade G.; Adams, Paul D.; Petzold, Christopher J.; Keasling, Jay D.; Soon Lee, Taek

2015-01-01

Branched five carbon (C5) alcohols are attractive targets for microbial production due to their desirable fuel properties and importance as platform chemicals. In this study, we engineered a heterologous isoprenoid pathway in E. coli for the high-yield production of 3-methyl-3-buten-1-ol, 3-methyl-2-buten-1-ol, and 3-methyl-1-butanol, three C5 alcohols that serve as potential biofuels. We first constructed a pathway for 3-methyl-3-buten-1-ol, where metabolite profiling identified NudB, a promiscuous phosphatase, as a likely pathway bottleneck. We achieved a 60% increase in the yield of 3-methyl-3-buten-1-ol by engineering the Shine-Dalgarno sequence of nudB, which increased protein levels by 9-fold and reduced isopentenyl diphosphate (IPP) accumulation by 4-fold. To further optimize the pathway, we adjusted mevalonate kinase (MK) expression and investigated MK enzymes from alternative microbes such as Methanosarcina mazei. Next, we expressed a fusion protein of IPP isomerase and the phosphatase (Idi1~NudB) along with a reductase (NemA) to diversify production to 3-methyl-2-buten-1-ol and 3-methyl-1-butanol. Finally, we used an oleyl alcohol overlay to improve alcohol recovery, achieving final titers of 2.23 g/L of 3-methyl-3-buten-1-ol (~70% of pathway-dependent theoretical yield), 150 mg/L of 3-methyl-2-buten-1-ol, and 300 mg/L of 3-methyl-1-butanol. PMID:26052683

Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity.

PubMed

Macías, Mario A; Acosta, Lina M; Sanabria, Carlos M; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H; Suescun, Leopoldo

2016-05-01

Tetrahydro-1-benzazepines have been described as potential antiparasitic drugs for the treatment of chagas disease and leishmaniasis, two of the most important so-called `forgotten tropical diseases' affecting South and Central America, caused by Trypanosoma cruzi and Leishmania chagasi parasites, respectively. Continuing our extensive work describing the structural characteristics of some related compounds with interesting biological properties, the crystallographic features of three epoxy-1-benzazepines, namely (2SR,4RS)-6,8-dimethyl-2-(naphthalen-1-yl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, (1), (2SR,4RS)-6,9-dimethyl-2-(naphthalen-1-yl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, (2), and (2SR,4RS)-8,9-dimethyl-2-(naphthalen-1-yl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine, (3), all C22H21NO, and two 1-benzazepin-4-ols, namely 7-fluoro-cis-2-[(E)-styryl]-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol, C18H18FNO, (4), and 7-fluoro-cis-2-[(E)-pent-1-enyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol, C15H20FNO, (5), are described. Some peculiarities in the crystallization behaviour were found, involving significant variations in the crystalline structures as a result of modest changes in the peripheral substituents in (1)-(3) and the occurrence of discrete disorder due to the molecular overlay of enantiomers with more than one conformation in (5). In particular, an interesting phase change on cooling was observed for compound (5), accompanied by an approximate fourfold increase of the unit-cell volume and a change of the Z' value from 1 to 4. This transition is a consequence of the partial ordering of the pentenyl chains in half of the molecules breaking half of the -3 symmetry axes observed in the room-temperature structure of (5). The structural assembly in all the title compounds is characterized by not only (N,O)-H...(O,N) hydrogen bonds, but also by unconventional C-H...O contacts, resulting in a wide diversity of packing.

The heterocyclic ring fission and dehydroxylation of catechins and related compounds by Eubacterium sp. strain SDG-2, a human intestinal bacterium.

PubMed

Wang, L Q; Meselhy, M R; Li, Y; Nakamura, N; Min, B S; Qin, G W; Hattori, M

2001-12-01

A human intestinal bacterium, Eubacterium (E.) sp. strain SDG-2, was tested for its ability to metabolize various (3R)- and (3S)-flavan-3-ols and their 3-O-gallates. This bacterium cleaved the C-ring of (3R)- and (3S)-flavan-3-ols to give 1,3-diphenylpropan-2-ol derivatives, but not their 3-O-gallates. Furthermore, E. sp. strain SDG-2 had the ability of p-dehydroxylation in the B-ring of (3R)-flavan-3-ols, such as (-)-catechin, (-)-epicatechin, (-)-gallocatechin and (-)-epigallocatechin, but not of (3S)-flavan-3-ols, such as (+)-catechin and (+)-epicatechin.

Combination of low-concentration of novel phytoestrogen (8,9)-furanyl-pterocarpan-3-ol from Pachyrhizus erosus attenuated tamoxifen-associated growth inhibition on breast cancer T47D cells

PubMed Central

Nurrochmad, Arief; Lukitaningsih, Endang; Monikawati, Ameilinda; Septhea, Dita Brenna; Meiyanto, Edy

2013-01-01

Objective To investigate the estrogenic effect of (8,9)-furanyl-pterocarpan-3-ol (FPC) on growth of human breast cancer T47D cells and the interactions between the FPC and tamoxifen (TAM), on the growth of estrogen receptor-dependent breast cancer T47D cells. Methods The proliferation effect of FPC were conducted on T47D cells in vitro by MTT test. T47D cells were treated with FPC alone (0.01-200 µmol/L) or in combination with TAM 20 nmol/L. Furthermore, the expression of ERα or c-Myc were also determined by immunohistochemistry. Results The results indicated that administration of an anti-estrogen TAM showed growth inhibitory effect on T47D cells, wheraes co-administered with low concentration (less than 1 µmol/L) of FPC attenuated to promote cell proliferation. In contrast, the combination of TAM with higher doses (more than 20 µmol/L) of FPC showed growth inhibitory. This result was supported by immunocytochemistry studies that the administration of 20 nmol/L TAM down-regulated ER-α and c-Myc, but the combination of 20 nmol/L TAM and 1 µmol/L FPC robustly up-regulated expression of ER-α. Thus, the reduced growth inhibition of TAM 20 nmol/L by FPC 1 µmol/L on T47D cells may act via the modulation of ER-α. Conclusions The findings indicate and suggest that FPC had estrogenic activity at low concentrations and anti-estrogenic effect that are likely to be regulated by c-Myc and estrogen receptors. We also confirm that low concentration of FPC attenuated the growth-inhibitory effects of TAM on mammary tumor prevention. Therefore, the present study suggests that caution is warranted regarding the consumption of dietary FPC by breast cancer patients while on TMA therapy.

Behavioral responses of the invasive Halyomorpha halys (Stal) to traps baited with stereoisomeric mixtures of 10,11-Epoxy-1-bisabolen-3-OL

USDA-ARS?s Scientific Manuscript database

The brown marmorated stink bug, Halyomorpha halys, is an invasive insect in the United States that is capable of inflicting significant yield losses for fruit, vegetable, and soybean growers. Recently, a male-produced aggregation pheromone of H. halys was identified as a 3.5:1 mixture of (3S,6S,7R,...

Suitability Measurement and Analysis for El Centro Naval Air Facility OLS. Opportune Landing Site Program

DTIC Science & Technology

2008-10-01

western corner and at a few other sample locations. For most of the RAS the surface layer CBR values are in the teens , with a few less than 10 and...from vandalism . Carl offered that we can tie in with weather station near the Range Control, Building 5000, and weather station in Target Area 103. We...to some degree. We noted that if we were to select this OLS, the instrumenta- tion may be destroyed or vandalized . This was a potential site and

Structural and functional comparison of two human liver dihydrodiol dehydrogenases associated with 3 alpha-hydroxysteroid dehydrogenase activity.

PubMed Central

Deyashiki, Y; Taniguchi, H; Amano, T; Nakayama, T; Hara, A; Sawada, H

1992-01-01

Two monomeric dihydrodiol dehydrogenases with pI values of 5.4 and 7.6 were co-purified with androsterone dehydrogenase activity to homogeneity from human liver. The two enzymes differed from each other on peptide mapping and in their heat-stabilities; with respect to the latter the dihydrodiol dehydrogenase and 3 alpha-hydroxysteroid dehydrogenase activities of the respective enzymes were similarly inactivated. The pI 5.4 enzyme was equally active towards trans- and cis-benzene dihydrodiols, and towards (S)- and (R)-forms of indan-1-ol and 1,2,3,4-tetrahydronaphth-1-ol and oxidized the 3 alpha-hydroxy group of C19-, C21- and C24-steroids, whereas the pI 7.6 enzyme showed high specificity for trans-benzene dihydrodiol, (S)-forms of the alicyclic alcohols and C19- and C21-steroids. Although the two enzymes reduced various xenobiotic carbonyl compounds and the 3-oxo group of C19- and C21-steroids, and were A-specific in the hydrogen transfer from NADPH, only the pI 5.4 enzyme showed reductase activity towards 7 alpha-hydroxy-5 beta-cholestan-3-one and dehydrolithocholic acid. The affinity of the two enzymes for the steroidal substrates was higher than that for the xenobiotic substrates. The two enzymes also showed different susceptibilities to the inhibition by anti-inflammatory drugs and bile acids. Whereas the pI-5.4 enzyme was highly sensitive to anti-inflammatory steroids, showing mixed-type inhibitions with respect to indan-1-ol and androsterone, the pI 7.6 enzyme was inhibited more potently by non-steroidal anti-inflammatory drugs and bile acids than by the steroidal drugs, and the inhibitions were all competitive. These structural and functional differences suggest that the two enzymes are 3 alpha-hydroxysteroid dehydrogenase isoenzymes. Images Fig. 2. PMID:1554355

Time-Resolved Laser Fluorescence Spectroscopy Study of the Coordination Chemistry of a Hydrophilic CHON [1,2,3-Triazol-4-yl]pyridine Ligand with Cm(III) and Eu(III).

PubMed

Wagner, Christoph; Mossini, Eros; Macerata, Elena; Mariani, Mario; Arduini, Arturo; Casnati, Alessandro; Geist, Andreas; Panak, Petra J

2017-02-20

The complexation of Cm(III) and Eu(III) with the novel i-SANEX complexing agent 2,6-bis[1-(propan-1-ol)-1,2,3-triazol-4-yl]pyridine (PTD) was studied by time-resolved laser fluorescence spectroscopy (TRLFS). The formation of 1:3, 1:2, and 1:1 metal/ligand complexes was identified upon increasing PTD concentration in 10 -3 mol/L HClO 4 and in 0.44 mol/L HNO 3 solutions. For all these complexes, stability constants were determined at different acid concentrations. Though under the extraction conditions proposed for an An/Ln separation process, that is, for 0.08 mol/L PTD in 0.44 mol/L HNO 3 , 1:3 complexes represent the major species, a significant fraction of 1:2 complexes was found. This is caused by ligand protonation, and results in lower Eu(III)/Am(III) separation factors compared to SO 3 -Ph-BTP, until now considered the i-SANEX reference ligand. Focused extraction studies performed at lower proton concentration, where the 1:3 complex is formed exclusively, confirm this assumption.

Solid State Research, 1981-1

DTIC Science & Technology

1981-02-15

Pine J. Mol. Spectrosc. 84, 132 v I + v 3 Combination Band of SO 2 M. Dang-Nhu* (1980) 5076 Formation of the XeBr Exciplex D. J. Ehrlich J. Chem. Phys...heteroepitaxial Ge film deposited on (I00>Si at Ts 550*C. III 0 5P.m 130- ol III --- SURFACEIGe,-,Si, ALLOY (b) * *I (b)) ,0, ++, p...:l: Fig. 111-8. (a) Bright...with the 32 input samples in the CCD ( ol wells. Center cross section: With the write voltage applied to the memory gate and the first transfer gate

The 2005 and 2006 eruptions of Ol Doinyo Lengai: assessing deep and shallow processes at an active carbonatite volcano using volatile chemistry and fluxes

NASA Astrophysics Data System (ADS)

Fischer, T.; Burnard, P.; Marty, B.; Palhol, F.; Mangasini, F.; Shaw, A. M.

2006-12-01

The African Rift valleys are sites of classical carbonatite volcano complexes. Ol Doinyo Lengai, the spectacular cone that rises to nearly 3000 m above Tanzania's Eastern Rift Valley, is the world's only active carbonatite volcano. High-alkali carbonatite lavas from this volcano were first recognized in the 1960's and the oldest natrocarbonatite tuffs have been dated to 1250 years B.P.. Earlier eruptions produced phonolitic and nephelinitc lavas [1]. Since the 1960's the volcano has erupted frequently producing carbonatite lava flows. Explosive eruptions are much less frequent but have occurred in 1966, 1983 [1] and 1993 [3] producing ash, cones and natrocarbonatite tephra. In July 2005, we launched an expedition to the crater to collect gas and rock samples. On July 4, the volcano began erupting low viscosity, low T (540C) high velocity (2 m/sec) lava flows at a rate of about 0.3 m3/sec. By afternoon, the lava was flowing over the eastern crater rim. During the eruption we sampled gases from nearby hornitos at 120 and 168C, yielding pristine magmatic gases characterized by 75 mol% H2O, 22% CO2, < 1% SO2, H2S, HCl and traces of H2, He, Ar, N2, CH4 and CO. CO2-CH4-CO gas equilibrium temperatures are 580C consistent with lava flow temperatures. N2-He-Ar abundances indicate an upper mantle origin of volatiles, confirmed by isotopes [4]. SO2 flux measured by mini DOAS was low (10 t/day). CO2 fluxes calculated using CO2/SO2 are 3000 to 4000 t/day. Volatiles measured in the carbonatite lavas by SIMS show low H2O (< 0.7 wt%), high S (0.2 to 1 wt%) and Cl (0.6 to 1.4 wt%) and variable F (0.06 to 0.7 wt%). CO2 contents are 30 wt% with major and trace elements typical of natrocarbonatite lavas previously reported in [1]. The release of all CO2 (30 wt% or 20 t/day) from eruption lavas would only produce a small fraction of the measured CO2. In March 2006 eyewitnesses [3] reported the occurrence of an explosive eruption and some of us returned to the volcano on May 12. The

Isolation, characterization and antimicrobial evaluation of a novel compound N-octacosan 7β ol, from Fumaria parviflora Lam.

PubMed

Jameel, Mohammad; Islamuddin, Mohammad; Ali, Abuzer; Afrin, Farhat; Ali, Mohammed

2014-03-12

Fumaria parviflora Lam. (Fumaraceae) is widely used in traditional as well as folkloric system of medicine from ancient. It is commonly known as 'Pitpapra' or 'Shahtrah' in Indian traditional system of medicine and used for treating numerous ailments like diarrhea, fever, influenza, blood purifier and other complications. The object of the present study was to evaluate the Antileishmanial, antibacterial, antifungal and cytotoxic potential of isolated compound. Methanolic extract of whole plant of Fumaria parviflora was dried under reduced pressure to obtain a dark brown residue which was adsorbed on silica gel column grade (60-120 mesh) to obtain a slurry and chromatographed over silica gel loaded column in petroleum ether-chloroform (3:1, 1:1 and 1:3 v/v). The in vitro antileishmanial evaluation of isolated compound against Leishmania donovani promastigotes was investigated by growth kinetics assay, reversibility assay, analysis of cellular morphology, adverse toxicity and determination of 50% growth inhibitory concentration (GI50). Disc diffusion and broth micro dilution methods were used to study the antibacterial (Gram + Staphylococcus epidermidis and Bacillus subtilis; Gram - Escherichia coli and Salmonella typhimurium) and antifungal (Candida albicans and Aspergillus niger) potential in vitro. Structure elucidation by spectral data analysis revealed a novel compound, n-octacosan-7β-ol (OC), yield (0.471%), having significant antimicrobial activity against Leishmania donovani promastigotes, Staphylococcus epidermidis, Escherichia coli, Candida albicans and Aspergillus niger in vitro with GI50 = 5.35, MIC 250, MIC 250 and MFC 500 and MIC 250 μg ml(-1) respectively. The isolated compound did not show adverse effect against mammalian macrophages. The available evidence of compound suggested that it may be used as antimicrobial agent in future and may provide new platform for drug discovery programmes for leishmaniasis.

2-Ferrocenyl-6-methyl­pyridin-3-ol

PubMed Central

Wang, Zhi-Qiang; Xu, Chen; Cen, Fei-Fei; Li, Ying-Fei; Ji, Bao-Ming

2008-01-01

In the title compound, [Fe(C5H5)(C11H10NO)], the dihedral angle between the pyridyl and substituted cyclo­penta­dienyl rings is 20.4 (3)°. The H atoms of the methyl group are disordered over two positions; their site-occupation factors were fixed at 0.5. The crystal structure is stabilized by well defined inter­molecular O—H⋯N and C—H⋯O hydrogen bonds, leading to the formation of a two-dimensional network parallel to (101). PMID:21581222

A different role of angiotensin II type 1a receptor in the development and hypertrophy of plantaris muscle in mice.

PubMed

Zempo, Hirofumi; Suzuki, Jun-Ichi; Ogawa, Masahito; Watanabe, Ryo; Isobe, Mitsuaki

2016-02-01

The role of angiotensin II type 1 (AT1) receptors in muscle development and hypertrophy remains unclear. This study was designed to reveal the effects that a loss of AT1 receptors has on skeletal muscle development and hypertrophy in mice. Eight-week-old male AT1a receptor knockout (AT1a(-/-)) mice were used for this experiment. The plantaris muscle to body weight ratio, muscle fiber cross-sectional area, and number of muscle fibers of AT1a(-/-) mice was significantly greater than wild type (WT) mice in the non-intervention condition. Next, the functional overload (OL) model was used to induce plantaris muscle hypertrophy by surgically removing the two triceps muscles consisting of the calf, soleus, and gastrocnemius muscles in mice. After 14 days of OL intervention, the plantaris muscle weight, the amount of fiber, and the fiber area increased. However, the magnitude of the increment of plantaris weight was not different between the two strains. Agtr1a mRNA expression did not change after OL in WT muscle. Actually, the Agt mRNA expression level of WT-OL was lower than WT-Control (C) muscle. An atrophy-related gene, atrogin-1 mRNA expression levels of AT1a(-/-)-C, WT-OL, and AT1a(-/-)-OL muscle were lower than that of WT-C muscle. Our findings suggest that AT1 receptor contributes to plantaris muscle development via atrogin-1 in mice.

What is the Impact of Students' Ability to Choose across and within Course Modality (OL or FTF) on Course Completions?

ERIC Educational Resources Information Center

DeCosta, James

2013-01-01

The participants were college students who attended an accredited private college offering associate, baccalaureate, and graduate degrees in the western United States. The research variables included student choice of modality (either OL or FTF), the covariate was students' GPA. Data were collected from institutional records and analyzed through…

(E)-2′-[(3,5-Di-tert-butyl-2-hy­droxy­benzyl­idene)amino]-1,1′-binaphthalen-2-ol methanol monosolvate

PubMed Central

He, Dian; Li, Chong; Wang, Xiaohong

2011-01-01

The title compound, C35H35NO2·CH4O, was obtained by the reaction of rac-2-amino-2-hy­droxy-1,1-binaphthyl and 3,5-di-tert-butyl-2-hy­droxy­benzaldehyde in absolute methanol. In the Schiff base mol­ecule, the two naphthyl bicycles are twisted by 71.15 (5)°. One hy­droxy group is involved in intra­molecular O—H⋯N hydrogen bond, while the methanol solvent mol­ecule is linked to another hy­droxy group via an inter­molecular O—H⋯O hydrogen bond. PMID:22219946

Overexpression of a tea flavanone 3-hydroxylase gene confers tolerance to salt stress and Alternaria solani in transgenic tobacco.

PubMed

Mahajan, Monika; Yadav, Sudesh Kumar

2014-08-01

Flavan-3-ols are the major flavonoids present in tea (Camellia sinensis) leaves. These are known to have antioxidant and free radical scavenging properties in vitro. Flavanone 3-hydroxylase is considered to be an important enzyme of flavonoid pathway leading to accumulation of flavan-3-ols in tea. Expression analysis revealed the upregulation in transcript levels of C. sinensis flavanone 3-hydroxylase (CsF3H) encoding gene under salt stress. In this study, the biotechnological potential of CsF3H was evaluated by gene overexpression in tobacco (Nicotiana tabacum cv. Xanthi). Overexpression of CsF3H cDNA increased the content of flavan-3-ols in tobacco and conferred tolerance to salt stress and fungus Alternaria solani infection. Transgenic tobaccos were observed for increase in primary root length, number of lateral roots, chlorophyll content, antioxidant enzyme expression and their activities. Also, they showed lesser malondialdehyde content and electrolyte leakage compared to control tobacco plants. Further, transgenic plants produced higher degree of pectin methyl esterification via decreasing pectin methyl esterase (PME) activity in roots and leaves under unstressed and salt stressed conditions. The effect of flavan-3-ols on pectin methyl esterification under salt stressed conditions was further validated through in vitro experiments in which non-transgenic (wild) tobacco seedlings were exposed to salt stress in presence of flavan-3-ols, epicatechin and epigallocatechin. The in vitro exposed seedlings showed similar trend of increase in pectin methyl esterification through decreasing PME activity as observed in CsF3H transgenic lines. Taken together, overexpression of CsF3H provided tolerance to salt stress and fungus A. solani infection to transgenic tobacco through improved antioxidant system and enhanced pectin methyl esterification.

Marketing Remote Sensing Data for North Pacific Fisheries Development and Management

NASA Technical Reports Server (NTRS)

1995-01-01

Fish poaching, drug trafficking, ocean dumping, and other illegal activities are important problems on the high seas and in national economic zones. The primary thrust of the EOCAP II project, "Marketing Remote Sensing Data for North Pacific Fisheries Development and Management", was to use space-based sensors to improve the effectiveness of marine monitoring, control, and surveillance (MCS). Our initial objectives were to concentrate on the development of MCS tools using Advanced Very High Resolution Radiometry (AVHRR) and Synthetic Aperture Radar (SAR) data. Although we have successfully completed development of an initial version of our SAR-based monitoring tool (OmniVision), project activity has resulted in a much broader application of space-based assets to marine applications. Based in part on work commenced within EOCAP II, a new company, Ocean and Coastal Environmental Sensing, Inc. (OCENS), has been launched and the development of several new software products outside of the MCS arena initiated. One of those products, SeaStation, is near completion with a Fall, 1995 release date. Equity investment in OCENS now totals $70,000-with an additional amount being sought in the first round of financing. One of the pre-eminent objectives of EOCAP II is to make contributions to the US economy and job growth through the expansion of commercial uses of remotely sensed data. OCENS and the software products it is introducing into marine and coastal zone markets responds to this primary object*e. EOCAP II funding leveraged the market and technical know-how of OCENS founders into smart products that benefit marine and coastal zone users. Although technical difficulties and geopolitical shifts damaged the commercial feasibility of initial project objectives, the flexibility of the EOCAP II program now permits long-term business success. This in no small part stems from the fact that the EOCAP program recognizes the realities of small and start-up businesses and does not

Synthesis and characterisation of new Schiff base monomers containing N-(alkyl and phenyl) pyrrole moieties

NASA Astrophysics Data System (ADS)

Amer, Ahcene Ait; Ilikti, Hocine; Maschke, Ulrich

2017-11-01

This article deals with the synthesis and characterisation of seven new functional Schiff base monomers, such as: M1: 1-(3-Pyrrole-1-yl-propylimino-methyl)-naphtalen-2-ol; M2: 2-(3-Pyrrole-1-yl-phenylimino-methyl)-phenol; M3: 1-(3-Pyrrole-1-yl-phenylimino-methyl)-naphtalen-2-ol; M4: N-(pyridin-2-yl-methylene)-2-(pyrrol-1-yl)-benzenamine; M5: N-(pyridin-2-yl-methylene)-3-(pyrrol-1-yl)-propan-1-amine; M6: 2-(3-pyrrol-1-yl-propylimino-methyl)-quinolin-8-ol; M7: 2-(3-pyrrol-1-yl-phenylimino-methyl)-quinolin-8-ol. Two series of compounds emerged from this study, N-propyl pyrrole derivatives (M1, M5, M6) and N-phenyl pyrrole compounds (M2, M3, M4, M7). All monomers were elaborated by condensation reactions between appropriate amines and aldehydes, and their molecular structures were confirmed by spectroscopic analysis methods like FT-IR, 1H NMR, 13C NMR, and GC-MS.

U.S. EPA, Pesticide Product Label, 7.5% SEVIN 1.8% METHYL PARATHION, 12/11/1969

EPA Pesticide Factsheets

2011-04-14

... sa!}. :\\f.\\S'fElt BH\\'" J)u"t mOl) h., apillit'd aft"r hllils op.'n .. \\lIow i da'- hl'l""·'' 1.1,·1 ;'i):>ii(.,~i'l!l .wJ j.('ol/.in~ 1,·" .. 1('0 ti.·ids or hanl'sli'!K crill' ft',,:duI' fur u ...

Ionotropic glutamate receptor GluR2/3-immunoreactive neurons in the cat, rabbit, and hamster superficial superior colliculus.

PubMed

Park, Won-Mee; Kim, Min-Jeong; Jeon, Chang-Jin

2004-06-01

Ionotropic glutamate receptor (GluR) subtypes occur in various types of cells in the central nervous system. We studied the distribution of AMPA glutamate receptor subtype GluR2/3 in the superficial layers of cat, rabbit, and hamster superior colliculus (SC) with antibody immunocytochemistry and the effect of enucleation on this distribution. Furthermore, we compared this labeling to that of calbindin D28K and parvalbumin. Anti-GluR2/3-immunoreactive (IR) cells formed a dense band of labeled cells within the lower superficial gray layer (SGL) and upper optic layer (OL) in the cat SC. By contrast, GluR2/3-IR cells formed a dense band within the upper OL in the rabbit and within the OL in the hamster SC. Calbindin D28K-IR cells are located in three layers in the SC: one within the zonal layer (ZL) and the upper SGL in all three animals, a second within the lower OL and upper IGL in the cat, within the IGL in the rabbit and within the OL in the hamster, and a third within the deep gray layer (DGL) in all three animals. Many parvalbumin-IR neurons were found within the lower SGL and upper OL. Thus, the GluR2/3-IR band was sandwiched between the first and second layers of calbindin D28K-IR cells in the cat and rabbit SC while the distribution of GluR2/3-IR cells in the hamster matches the second layer of calbindin D28K-IR cells. The patterned distribution of GluR2/3-IR cells overlapped the tier of parvalbumin-IR neurons in cat, but only partially overlapped in hamster and rabbit. Two-color immunofluorescence revealed that more than half (55.1%) of the GluR2/3-IR cells in the hamster SC expressed calbindin D28K. By contrast, only 9.9% of GluR2/3-IR cells expressed calbindin D28K in the cat. Double-labeled cells were not found in the rabbit SC. Some (4.8%) GluR2/3-IR cells in the cat SC also expressed parvalbumin, while no GluR2/3-IR cells in rabbit and hamster SC expressed parvalbumin. In this dense band of GluR2/3, the majority of labeled cells were small to medium

Synthesis and structural and conformational study of some esters derived from 8-β-hydroxy-3-phenethyl-3- azabicyclico [3.2.11] octan-8-α-carboxylic acid

NASA Astrophysics Data System (ADS)

Diez, M.; Izquierdo, M. L.; Arias, M. S.; Galvez, E.; Matesanz, E.; Martinez-Ripoll, M.

1991-09-01

A series of 8-β-hydroxy-8-α-alkoxycarbonyl- N-phenethyl-3-azabicyclo [3.2.1.]octane derivatives have been synthesized and studied by IR, 1H and 13C NMR spectroscopy, and the crystal structure of ethyl-8-β-hydroxy-3-phenethyl-3-azabicyclo [3.2.1] octan-8-α-carboxylate ( Va) has been determined by X-ray diffraction. In deuterochloroform and deuterobenzene the cyclopentane and piperidine rings of the title compounds show an envelope conformation flattened at C8 and a distorted chair conformation puckered at C8 and flattened at N3, respectively, with the N-substituent in an equatorial position. These results are in close agreement with that found for compound Va in the crystalline state. By comparing the NMR and X-ray parameters of the title compounds with those of the corresponding 8-α-hydroxy-8β-alkoxycarbonyl- N-phenethyl-3- azabicyclo [3.2.1] octane epimers and 3-phenethyl-3-azabicyclo [3.2.1] octan-8-α-(andβ)ol, several stereoelectronic effects have been deduced.

Mechanism of enhanced conversion of 1,2,3-trichloropropane by mutant haloalkane dehalogenase revealed by molecular modeling

NASA Astrophysics Data System (ADS)

Banáš, Pavel; Otyepka, Michal; Jeřábek, Petr; Petřek, Martin; Damborský, Jiří

2006-06-01

1,2,3-Trichloropropane (TCP) is a highly toxic, recalcitrant byproduct of epichlorohydrin manufacture. Haloalkane dehalogenase (DhaA) from Rhodococcus sp. hydrolyses the carbon-halogen bond in various halogenated compounds including TCP, but with low efficiency ( k cat/ K m = 36 s-1 M-1). A Cys176Tyr-DhaA mutant with a threefold higher catalytic efficiency for TCP dehalogenation has been previously obtained by error-prone PCR. We have used molecular simulations and quantum mechanical calculations to elucidate the molecular mechanisms involved in the improved catalysis of the mutant, and enantioselectivity of DhaA toward TCP. The Cys176Tyr mutation modifies the protein access and export routes. Substitution of the Cys residue by the bulkier Tyr narrows the upper tunnel, making the second tunnel "slot" the preferred route. TCP can adopt two major orientations in the DhaA enzyme, in one of which the halide-stabilizing residue Asn41 forms a hydrogen bond with the terminal halogen atom of the TCP molecule, while in the other it bonds with the central halogen atom. The differences in these binding patterns explain the preferential formation of the ( R)- over the ( S)-enantiomer of 2,3-dichloropropane-1-ol in the reaction catalyzed by the enzyme.

Simultaneous Analysis of 3-MCPD and 1,3-DCP in Asian Style Sauces Using QuEChERS Extraction and Gas Chromatography-Triple Quadrupole Mass Spectrometry.

PubMed

Genualdi, Susan; Nyman, Patricia; DeJager, Lowri

2017-02-01

Acid hydrolyzed vegetable protein (aHVP) is used for flavoring a wide variety of foods and also in the production of nonfermented soy sauce. During the production of aHVP, chloropropanols including 3-monochloropropane-1,2-diol (3-MCPD) and 1,3 dichloropropane-2-ol (1,3-DCP) can be formed through the reaction of the hydrochloric acid catalyst and residual fat and the reaction of 3-MCPD with acetic acid, respectively. 3-MCPD is a carcinogen, and 1,3-DCP has been classified as a genotoxic carcinogen. The European Union (EU) has set a maximum concentration of 0.02 mg/kg of 3-MCPD in aHVP, and the Food and Drug Administration (FDA) set a guidance limit of 1 mg/kg of 3-MCPD in aHVP. 1,3-DCP is not an approved food additive, and the Joint FAO/WHO Expert Committee on Food Additives (JEFCA) has set a limit at 0.005 mg/kg, which is close to the estimated method detection limit. Currently there are few analytical methods for the simultaneous determination of 3-MCPD and 1,3-DCP without derivatization due to differences in their physical chemical properties and reactivity. A new method was developed using QuEChERS (quick, easy, cheap, effective, rugged, and safe) with direct analysis of the extract without derivatization using gas chromatography-triple quadrupole mass spectrometry (GC-QQQ). Additionally, a market sampling of 60 soy sauce samples was performed in 2015 to determine if concentrations have changed since the FDA limit was set in 2008. The sampling results were compared between the new QuEChERS method and a method using phenylboronic acid (PBA) as a derivatizing agent for 3-MCPD analysis. The concentrations of 3-MCPD detected in soy sauce samples collected in 2015 (3-MCPD below current regulatory limits.

Simultaneous Analysis of 3-MCPD and 1,3-DCP in Asian Style Sauces Using QuEChERS Extraction and Gas Chromatography–Triple Quadrupole Mass Spectrometry

PubMed Central

Genualdi, Susan; Nyman, Patricia; DeJager, Lowri

2017-01-01

Acid hydrolyzed vegetable protein (aHVP) is used for flavoring a wide variety of foods and also in the production of nonfermented soy sauce. During the production of aHVP, chloropropanols including 3-monochloropropane-1,2-diol (3-MCPD) and 1,3 dichloropropane-2-ol (1,3-DCP) can be formed through the reaction of the hydrochloric acid catalyst and residual fat and the reaction of 3-MCPD with acetic acid, respectively. 3-MCPD is a carcinogen, and 1,3-DCP has been classified as a genotoxic carcinogen. The European Union (EU) has set a maximum concentration of 0.02 mg/kg of 3-MCPD in aHVP, and the Food and Drug Administration (FDA) set a guidance limit of 1 mg/kg of 3-MCPD in aHVP. 1,3-DCP is not an approved food additive, and the Joint FAO/WHO Expert Committee on Food Additives (JEFCA) has set a limit at 0.005 mg/kg, which is close to the estimated method detection limit. Currently there are few analytical methods for the simultaneous determination of 3-MCPD and 1,3-DCP without derivatization due to differences in their physical chemical properties and reactivity. A new method was developed using QuEChERS (quick, easy, cheap, effective, rugged, and safe) with direct analysis of the extract without derivatization using gas chromatography–triple quadrupole mass spectrometry (GC-QQQ). Additionally, a market sampling of 60 soy sauce samples was performed in 2015 to determine if concentrations have changed since the FDA limit was set in 2008. The sampling results were compared between the new QuEChERS method and a method using phenylboronic acid (PBA) as a derivatizing agent for 3-MCPD analysis. The concentrations of 3-MCPD detected in soy sauce samples collected in 2015 (3-MCPD below current regulatory limits PMID:28064506

On the Controls of Leaf-Water Oxygen Isotope Ratios in the Atmospheric Crassulacean Acid Metabolism Epiphyte Tillandsia usneoides1[W][OA

PubMed Central

Helliker, Brent R.

2011-01-01

Previous theoretical work showed that leaf-water isotope ratio (δ18OL) of Crassulacean acid metabolism epiphytes was controlled by the δ18O of atmospheric water vapor (δ18Oa), and observed δ18OL could be explained by both a non-steady-state model and a “maximum enrichment” steady-state model (δ18OL-M), the latter requiring only δ18Oa and relative humidity (h) as inputs. δ18OL, therefore, should contain an extractable record of δ18Oa. Previous empirical work supported this hypothesis but raised many questions. How does changing δ18Oa and h affect δ18OL? Do hygroscopic trichomes affect observed δ18OL? Are observations of changes in water content required for the prediction of δ18OL? Does the leaf need to be at full isotopic steady state for observed δ18OL to equal δ18OL-M? These questions were examined with a climate-controlled experimental system capable of holding δ18Oa constant for several weeks. Water adsorbed to trichomes required a correction ranging from 0.5‰ to 1‰. δ18OL could be predicted using constant values of water content and even total conductance. Tissue rehydration caused a transitory change in δ18OL, but the consequent increase in total conductance led to a tighter coupling with δ18Oa. The non-steady-state leaf water models explained observed δ18OL (y = 0.93*x − 0.07; r2 = 0.98) over a wide range of δ18Oa and h. Predictions of δ18OL-M agreed with observations of δ18OL (y = 0.87*x − 0.99; r2 = 0.92), and when h > 0.9, the leaf did not need to be at isotopic steady state for the δ18OL-M model to predict δ18OL in the Crassulacean acid metabolism epiphyte Tillandsia usneoides. PMID:21300917

Synthesis, spectroscopic and DNA binding ability of CoII, NiII, CuII and ZnII complexes of Schiff base ligand (E)-1-(((1H-benzo[d]imidazol-2-yl)methylimino)methyl)naphthalen-2-ol. X-ray crystal structure determination of cobalt (II) complex.

PubMed

Yarkandi, Naeema H; El-Ghamry, Hoda A; Gaber, Mohamed

2017-06-01

A novel Schiff base ligand, (E)-1-(((1H-benzo[d]imidazol-2-yl)methylimino)methyl)naphthalen-2-ol (HL), has been designed and synthesized in addition to its metal chelates [Co(L) 2 ]·l2H 2 O, [Ni(L)Cl·(H 2 O) 2 ].5H 2 O, [Cu(L)Cl] and [Zn(L)(CH 3 COO)]. The structures of the isolated compounds have been confirmed and identified by means of different spectral and physicochemical techniques including CHN analysis, 1 H & 13 C NMR, mass spectral analysis, molar conductivity measurement, UV-Vis, infrared, magnetic moment in addition to TGA technique. The infrared spectral results ascertained that the ligand acts as monobasic tridentate binding to the metal centers via deprotonated hydroxyl oxygen, azomethine and imidazole nitrogen atoms. The UV-Vis, magnetic susceptibility and molar conductivity data implied octahedral geometry for Co(II) & Ni(II) complexes, tetrahedral for Zn(II) complex and square planar for Cu(II) complex. X-ray structural analysis of Co(II) complex 1 has been reported and discussed. Moreover, the type of interaction between the ligand & its complexes towards salmon sperm DNA (SS-DNA) has been examined by the measurement of absorption spectra and viscosity which confirmed that the ligand and its complexes interact with DNA via intercalation interaction as concluded from the values of binding constants (K b ). Copyright © 2017 Elsevier B.V. All rights reserved.

N-substituted 8-aminopentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]undecanes as σ receptor ligands with potential neuroprotective effects.

PubMed

Banister, Samuel D; Manoli, Miral; Barron, Melissa L; Werry, Eryn L; Kassiou, Michael

2013-10-01

Several libraries of similarly N-substituted 8-aminopentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]undecanes (9), N-methyl-8-aminopentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]undecanes (14), and N-methyl-11-aminopentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]undecan-8-ones (13) were synthesised and screened against a panel of CNS targets in order to develop structure-affinity relationships for cage-modified trishomocubane σ receptor ligands based on the N-substituted 4-azahexacyclo[5.4.1.0(2,6).0(3,10).0(5,9).0(8,11)]dodecan-3-ol (8) scaffold. In general, compared to the corresponding 4-azahexacyclo[5.4.1.0(2,6).0(3,10).0(5,9).0(8,11)]dodecan-3-ols, compounds of type 9 were potent σ receptor ligands with low levels of subtype selectivity, while the corresponding N-methyl-8-aminopentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]undecanes showed reduced affinity but greater selectivity for σ2 receptors. The N-methyl-11-aminopentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]undecan-8-ones demonstrated the poorest σ receptor affinities, suggesting that 4-azahexacyclo[5.4.1.0(2,6).0(3,10).0(5,9).0(8,11)]dodecan-3-ols interact with σ receptors in the bridged hemiaminal form rather than as the non-transannular, aminoketone tautomers. Several compounds of type 8, 9, and 14 were assessed for their ability to inhibit nitric oxide release in vitro, and demonstrated comparable or greater efficacy than 4-phenyl-1-(4-phenylbutyl)piperidine (PPBP), an established neuroprotective σ ligand with NOS inhibitory activity. Copyright © 2013 Elsevier Ltd. All rights reserved.

Cold Sores (HSV-1)

MedlinePlus

... Cold Sores Diagnosed and Treated? Print en español Herpes labial Neal knew something weird was going on. ... or around a person's lips, are caused by herpes simplex virus-1 (HSV-1) . But they don' ...

Mapping and Evaluating the Urbanization Process in Northeast China Using DMSP/OLS Nighttime Light Data

PubMed Central

Yi, Kunpeng; Tani, Hiroshi; Li, Qiang; Zhang, Jiquan; Guo, Meng; Bao, Yulong; Wang, Xiufeng; Li, Jing

2014-01-01

In this paper, an Urban Light Index (ULI) is constructed to facilitate analysis and quantitative evaluation of the process of urbanization and expansion rate by using DMSP/OLS Nighttime Light Data during the years from 1992 to 2010. A unit circle urbanization evaluation model is established to perform a comprehensive analysis of the urbanization process of 34 prefecture-level cities in Northeast China. Furthermore, the concept of urban light space is put forward. In this study, urban light space is divided into four types: the core urban area, the transition zone between urban and suburban areas, suburban area and fluorescent space. Proceeding from the temporal and spatial variation of the four types of light space, the pattern of morphologic change and space-time evolution of the four principal cities in Northeast China (Harbin, Changchun, Shenyang, Dalian) is analyzed and given particular attention. Through a correlation analysis between ULI and the traditional urbanization indexes (urban population, proportion of the secondary and tertiary industries in the regional GDP and the built-up area), the advantages and disadvantages as well as the feasibility of using the ULI in the study of urbanization are evaluated. The research results show that ULI has a strong correlation with urban built-up area (R2 = 0.8277). The morphologic change and history of the evolving urban light space can truly reflect the characteristics of urban sprawl. The results also indicate that DMSP/OLS Nighttime Light Data is applicable for extracting urban space information and has strong potential to urbanization research. PMID:24553086

Limnological Investigations: Lake Koocanusa, Montana. Part 1. Pre-Impoundment Study, 1967-1972.

DTIC Science & Technology

1982-10-01

iacuc ol In suspended sediment and turbidity which suppressed khe aquatic Insect popua tion in the river downstream. Abnormally high backgrbund...vwL#3’~F1 fII .b~ ’* CC’ro6* 1942 Il’ sporweaa 1*66 40C TL .441 JAitk ntscř’M’ 1041tT.6 LINh c I1r.W,- T? 41 1 LIAO n39Co蔒 1&ATION t.c 1 AAI

Bio-electrochemical remediation of real field petroleum sludge as an electron donor with simultaneous power generation facilitates biotransformation of PAH: effect of substrate concentration.

PubMed

Chandrasekhar, K; Venkata Mohan, S

2012-04-01

Remediation of real-field petroleum sludge was studied under self-induced electrogenic microenvironment with the function of variable organic loads (OLs) in bio-electrochemical treatment (BET) systems. Operation under various OLs documented marked influence on both electrogenic activity and remediation efficiency. Both total petroleum hydrocarbons (TPH) and its aromatic fraction documented higher removal with OL4 operation followed by OL3, OL2, OL1 and control. Self-induced biopotential and associated multiple bio-electrocatalytic reactions during BET operation facilitated biotransformation of higher ring aromatics (5-6) to lower ring aromatic (2-3) compounds. Asphaltenes and NSO fractions showed negligible removal during BET operation. Higher electrogenic activity was recorded at OL1 (343mV; 53.11mW/m(2), 100Ω) compared to other three OLs operation. Bioaugmentation to anodic microflora with anaerobic culture documented enhanced electrogenic activity at OL4 operation. Voltammetric profiles, Tafel analysis and VFA generation were in agreement with the observed power generation and degradation efficiency. Copyright © 2012 Elsevier Ltd. All rights reserved.

Comparison of the biotransformation of the 14C-labelled insecticide carbaryl by non-transformed and human CYP1A1-, CYP1A2-, and CYP3A4-transgenic cell cultures of Nicotiana tabacum.

PubMed

Schmidt, Burkhard; Faymonville, Tanja; Gembé, Eva; Joussen, Nicole; Schuphan, Ingolf

2006-08-01

Transgenic tobacco-cell-suspension cultures expressing separately the human cytochrome P450 monooxygenases CYP1A1, CYP1A2, and CYP3A4 were utilized to study the biotransformation of the 14C-labelled insecticide carbaryl (=naphthalen-1-yl methylcarbamate). The resulting data were compared to similar data from the corresponding non-transformed (NT) tobacco-cell culture and commercially available membrane preparations (Bactosomes) of genetically modified bacteria separately containing the same human P450s. A rapid conversion rate of carbaryl was observed with the CYP1A1 and CYP1A2 cells, where only 49.7 and 0.2% of applied carbaryl (1 mg/l), respectively, remained after 24 h, as compared to 77.7% in the non-transformed culture. Unexpectedly, the corresponding results obtained from the CYP3A4 cultures were not definite. With 25 mg/l of carbaryl and 96 h of incubation, it was proven that the insecticide is also substrate of CYP3A4. This finding was supported by GC/EI-MS analysis of the primary metabolite pattern produced by the isozyme. This consisted of naphthalene-1-ol, N-(hydroxymethyl)carbaryl, 4-hydroxycarbaryl, and 5-hydroxycarbaryl, whereas the main product in non-transformed cells was N-(hydroxymethyl)carbaryl. Data obtained from the CYP1A1, CYP1A2, or CYP3A4 Bactosomes agreed with those of the P450-transgenic tobacco cells. Problems with GC/EI-MS analysis of carbaryl and its metabolites are discussed.

Oleuropein inhibits the IL-1β-induced expression of inflammatory mediators by suppressing the activation of NF-κB and MAPKs in human osteoarthritis chondrocytes.

PubMed

Feng, Zhenhua; Li, Xiaobin; Lin, Jian; Zheng, Wenhao; Hu, Zhichao; Xuan, Jiangwei; Ni, Wenfei; Pan, Xiaoyun

2017-10-18

Osteoarthritis (OA) is the most common form of joint disease and is widespread in the elderly population and is characterized by erosion of articular cartilage, subchondral bone sclerosis and synovitis. Oleuropein (OL), a secoiridoid, is considered as the most prevalent phenolic component in olive leaves and seeds, pulp and peel of unripe olives and has been shown to have potent anti-inflammatory effects. However, its effects on OA have not been clearly elucidated. This study aimed to assess the effect of OL on human OA chondrocytes. Human OA chondrocytes were pretreated with OL (10, 50 and 100 μM) for 2 h and subsequently stimulated with IL-1β for 24 h. The production of NO, PGE2, MMP-1, MMP-13, and ADAMTS-5 was evaluated by the Griess reaction and ELISA assays. The messenger RNA (mRNA) expression of COX-2, iNOS, MMP-1, MMP13, ADAMTS-5, aggrecan, and collagen-II was measured by using real-time PCR. The protein expressions of COX-2, iNOS, p65, IκB-α, JNK, p-JNK, ERK, p-ERK, p38, and p-p38 were tested by using western blot. We found that OL significantly inhibited the IL-1β-induced production of NO and PGE2; expression of COX-2, iNOS, MMP-1, MMP-13, and ADAMTS-5; and degradation of aggrecan and collagen-II. Furthermore, OL dramatically suppressed IL-1β-stimulated NF-κB and MAPK activation. Immunofluorescence staining demonstrated that OL could suppress IL-1β-induced phosphorylation of p65 nuclear translocation. These results indicate that the therapeutic effect of OL on OA is accomplished through the inhibition of both NF-κB and MAPK signaling pathways. Altogether, our findings provide the evidence to develop OL as a potential therapeutic agent for patients with OA.

Comparison between DMSP-OLS and S-NPP Day-Night Band in Correlating with Regional Socio-economic Variables

NASA Astrophysics Data System (ADS)

Jing, X.; Shao, X.; Cao, C.; Fu, X.

2013-12-01

Night-time light imagery offers a unique view of the Earth's surface. In the past, the nighttime light data collected by the DMSP-OLS sensors have been used as efficient means to correlate with the global socio-economic activities. With the launch of Suomi National Polar-orbiting Partnership (S-NPP) satellite in October 2011, the Day Night Band (DNB) of the Visible Infrared Imaging Radiometer Suite (VIIRS) onboard S-NPP represents a major advancement in night time imaging capabilities because it surpassed its predecessor DMSP-OLS in radiometric accuracy, spatial resolution, and geometric quality. In this paper, we compared the performance of DNB image and DMSP image in correlating regional socio-economic activities and analyzed the leading causes for the differences. The correlation coefficients between the socio-economic variables such as population, regional GDP etc. and the characteristic variables derived from the night time light images of DNB and DMSP at provincial level in China were computed as performance metrics for comparison. In general, the correlation between DNB data and socio-economic data is better than that of DMSP data. To explain the difference in the correlation, we further analyzed the effects of several factors such as radiometric saturation and quantization of DMSP data, low spatial resolution, different data acquisition times between DNB and DMSP images, and difference in the transformation used in converting digital number (DN) value to radiance.

Sex-pairing pheromone of Ancistrotermes dimorphus (Isoptera: Macrotermitinae).

PubMed

Wen, Ping; Mo, Jianchu; Lu, Chunwen; Tan, Ken; Šobotník, Jan; Sillam-Dussès, David

2015-12-01

Ancistrotermes dimorphus is a common Macrotermitinae representative, facultative inquiline by its life-style, occurring in South-East China. Sex pheromone is used for couple formation and maintenance, and it is produced by and released from the female sternal gland and is highly attractive to males. Based on our combined behavioral, chemical and electrophysiological analyses, we identified (3Z,6Z)-dodeca-3,6-dien-1-ol as the female sex pheromone of A. dimorphus as it evoked the tandem behavior at short distance, and the active quantities ranged from 0.01ng to 10ng. Interestingly, GC-MS analyses of SPME extracts showed another compound specific to the female sternal gland, (3Z)-dodec-3-en-1-ol, which showed a clear GC-EAD response. However, this compound has no behavioral function in natural concentrations (0.1ng), while higher amounts (1ng) inhibit the attraction achieved by (3Z,6Z)-dodeca-3,6-dien-1-ol. The function of (3Z)-dodec-3-en-1-ol is not fully understood, but might be linked to recognition from sympatric species using the same major compound, enhancing the long-distance attraction, or informing about presence of other colonies using the compound as a trail-following pheromone. The sternal gland secretion of Ancistrotermes females contains additional candidate compounds, namely (3E,6Z)-dodeca-3,6-dien-1-ol and (6Z)-dodec-6-en-1-ol, which are not perceived by males' antennae in biologically relevant amounts. Copyright © 2015 Elsevier Ltd. All rights reserved.

Olfactory Impact of Higher Alcohols on Red Wine Fruity Ester Aroma Expression in Model Solution.

PubMed

Cameleyre, Margaux; Lytra, Georgia; Tempere, Sophie; Barbe, Jean-Christophe

2015-11-11

This study focused on the impact of five higher alcohols on the perception of fruity aroma in red wines. Various aromatic reconstitutions were prepared, consisting of 13 ethyl esters and acetates and 5 higher alcohols, all at the average concentrations found in red wine. These aromatic reconstitutions were prepared in several matrices. Sensory analysis revealed the interesting behavior of certain compounds among the five higher alcohols following their individual addition or omission. The "olfactory threshold" of the fruity pool was evaluated in several matrices: dilute alcohol solution, dilute alcohol solution containing 3-methylbutan-1-ol or butan-1-ol individually, and dilute alcohol solution containing the mixture of five higher alcohols, blended together at various concentrations. The presence of 3-methylbutan-1-ol or butan-1-ol alone led to a significant decrease in the "olfactory threshold" of the fruity reconstitution, whereas the mixture of alcohols raised the olfactory threshold. Sensory profiles highlighted changes in the perception of fruity nuances in the presence of the mixture of higher alcohols, with specific perceptive interactions, including a relevant masking effect on fresh- and jammy-fruit notes of the fruity mixture in both dilute alcohol solution and dearomatized red wine matrices. When either 3-methylbutan-1-ol or butan-1-ol was added to the fruity reconstitution in dilute alcohol solution, an enhancement of butyric notes was reported with 3-methylbutan-1-ol and fresh- and jammy-fruit with butan-1-ol. This study, the first to focus on the impact of higher alcohols on fruity aromatic expression, revealed that these compounds participate, both quantitatively and qualitatively, in masking fruity aroma perception in a model fruity wine mixture.

40 CFR 721.7160 - 2-Oxepanone, polymer with 4,4′-(1-methylethylidene)bisphenol and 2,2-[(1-methylethylidene)bis(4,1...

Code of Federal Regulations, 2011 CFR

2011-07-01

... new uses subject to reporting. (1) The chemical substance 2-oxepanone, polymer with 4,4′(1-meth-yl-eth-yli-dene)bi-sphen-ol and 2,2-[(1-meth-yl-eth-yli-dene) bis(4,1-phen-yl-ene-oxy-meth-ylene)]bi-soxi...

40 CFR 721.7160 - 2-Oxepanone, polymer with 4,4′-(1-methylethylidene)bisphenol and 2,2-[(1-methylethylidene)bis(4,1...

Code of Federal Regulations, 2013 CFR

2013-07-01

... new uses subject to reporting. (1) The chemical substance 2-oxepanone, polymer with 4,4′(1-meth-yl-eth-yli-dene)bi-sphen-ol and 2,2-[(1-meth-yl-eth-yli-dene) bis(4,1-phen-yl-ene-oxy-meth-ylene)]bi-soxi...

40 CFR 721.7160 - 2-Oxepanone, polymer with 4,4′-(1-methylethylidene)bisphenol and 2,2-[(1-methylethylidene)bis(4,1...

Code of Federal Regulations, 2014 CFR

2014-07-01

... new uses subject to reporting. (1) The chemical substance 2-oxepanone, polymer with 4,4′(1-meth-yl-eth-yli-dene)bi-sphen-ol and 2,2-[(1-meth-yl-eth-yli-dene) bis(4,1-phen-yl-ene-oxy-meth-ylene)]bi-soxi...

40 CFR 721.7160 - 2-Oxepanone, polymer with 4,4′-(1-methylethylidene)bisphenol and 2,2-[(1-methylethylidene)bis(4,1...

Code of Federal Regulations, 2012 CFR

2012-07-01

... new uses subject to reporting. (1) The chemical substance 2-oxepanone, polymer with 4,4′(1-meth-yl-eth-yli-dene)bi-sphen-ol and 2,2-[(1-meth-yl-eth-yli-dene) bis(4,1-phen-yl-ene-oxy-meth-ylene)]bi-soxi...

Profiling of ornithine lipids in bacterial extracts of Rhodobacter sphaeroides by reversed-phase liquid chromatography with electrospray ionization and multistage mass spectrometry (RPLC-ESI-MS(n)).

PubMed

Granafei, Sara; Losito, Ilario; Trotta, Massimo; Italiano, Francesca; de Leo, Vincenzo; Agostiano, Angela; Palmisano, Francesco; Cataldi, Tommaso R I

2016-01-15

Ornithine lipids (OLs), a sub-group of the large (and of emerging interest) family of lipoamino acids of bacterial origin, contain a 3-hydroxy fatty acyl chain linked via an amide bond to the α-amino group of ornithine and via an ester bond to a second fatty acyl chain. OLs in extracts of Rhodobacter sphaeroides (R. sphaeroides) were investigated by high-performance reversed phase liquid chromatography (RPLC) with electrospray ionization mass spectrometry (ESI-MS) in negative ion mode using a linear ion trap (LIT). The presence of OLs bearing both saturated (i.e, 16:0, 17:0, 18:0, 19:0 and 20:0) and unsaturated chains (i.e., 18:1, 19:1, 19:2 and 20:1) was ascertained and their identification, even for isomeric, low abundance and partially co-eluting species, was achieved by low-energy collision induced dissociation (CID) multistage mass spectrometry (MS(n), n = 2-4). OLs signatures found in two R. sphaeroides strains, i.e., wild type 2.4.1 and mutant R26, were examined and up to 16 and 17 different OL species were successfully identified, respectively. OLs in both bacterial strains were characterized by several combinations of fatty chains on ester-linked and amide-linked 3-OH fatty acids. Multistage MS spectra of monoenoic amide-linked 3-OH acyl chains, allowed the identification of positional isomer of OL containing 18:1 (i.e. 9-octadecenoic) and 20:1 (i.e. 11-eicosenoic) fatty acids. The most abundant OL ([M-H](-) at m/z 717.5) in R. sphaeroides R26 was identified as OL 3-OH 20:1/19:1 (i.e., 3-OH-eicosenoic acid amide-linked to ornithine and esterified to a nonadecenoic chain containing a cyclopropane ring). An unusual OL (m/z 689.5 for the [M-H](-) ion), most likely containing a cyclopropene ester-linked acyl chain (i.e., OL 3-OH 18:0/19:2), was retrieved only in the carotenoidless mutant strain R26. Based on the biosynthetic pathways already known for cyclopropa(e)ne ring-including acyl chains, a plausible explanation was invoked for the enzymatic

Model-Based Closed-Loop Glucose Control in Type 1 Diabetes: The DiaCon Experience

PubMed Central

Schmidt, Signe; Boiroux, Dimitri; Duun-Henriksen, Anne Katrine; Frøssing, Laurits; Skyggebjerg, Ole; Jørgensen, John Bagterp; Poulsen, Niels Kjølstad; Madsen, Henrik; Madsbad, Sten; Nørgaard, Kirsten

2013-01-01

Background To improve type 1 diabetes mellitus (T1DM) management, we developed a model predictive control (MPC) algorithm for closed-loop (CL) glucose control based on a linear second-order deterministic-stochastic model. The deterministic part of the model is specified by three patient-specific parameters: insulin sensitivity factor, insulin action time, and basal insulin infusion rate. The stochastic part is identical for all patients but identified from data from a single patient. Results of the first clinical feasibility test of the algorithm are presented. Methods We conducted two randomized crossover studies. Study 1 compared CL with open-loop (OL) control. Study 2 compared glucose control after CL initiation in the euglycemic (CL-Eu) and hyperglycemic (CL-Hyper) ranges, respectively. Patients were studied from 22:00–07:00 on two separate nights. Results Each study included six T1DM patients (hemoglobin A1c 7.2% ± 0.4%). In study 1, hypoglycemic events (plasma glucose < 54 mg/dl) occurred on two OL and one CL nights. Average glucose from 22:00–07:00 was 90 mg/dl [74–146 mg/dl; median (interquartile range)] during OL and 108 mg/dl (101–128 mg/dl) during CL (determined by continuous glucose monitoring). However, median time spent in the range 70–144 mg/dl was 67.9% (3.0–73.3%) during OL and 80.8% (70.5–89.7%) during CL. In study 2, there was one episode of hypoglycemia with plasma glucose <54 mg/dl in a CL-Eu night. Mean glucose from 22:00–07:00 and time spent in the range 70–144 mg/dl were 121 mg/dl (117–133 mg/dl) and 69.0% (30.7–77.9%) in CL-Eu and 149 mg/dl (140–193 mg/dl) and 48.2% (34.9–72.5%) in CL-Hyper, respectively. Conclusions This study suggests that our novel MPC algorithm can safely and effectively control glucose overnight, also when CL control is initiated during hyperglycemia. PMID:24124952

Volatile profiles of members of the USDA Geneva Malus Core Collection: utility in evaluation of a hypothesized biosynthetic pathway for esters derived from 2-methylbutanoate and 2-methylbutan-1-ol.

PubMed

Sugimoto, Nobuko; Forsline, Philip; Beaudry, Randolph

2015-02-25

The volatile ester and alcohol profiles of ripening apple fruit from 184 germplasm lines in the USDA Malus Germplasm Repository at the New York Agricultural Experiment Station in Geneva, NY, USA, were evaluated. Cluster analysis suggested biochemical relationships exist between several ester classes. A strong linkage was revealed between 2-methylbutanoate, propanoate, and butanoate esters, suggesting the influence of the recently proposed "citramalic acid pathway" in apple fruit. Those lines with a high content of esters formed from 2-methylbutan-1-ol and 2-methylbutanoate (2MB) relative to straight-chain (SC) esters (high 2MB/SC ratio) exhibited a marked increase in isoleucine and citramalic acid during ripening, but those lines with a low content did not. Thus, the data were consistent with the existence of the hypothesized citramalic acid pathway and suggest that the Geneva Malus Germplasm Repository, appropriately used, could be helpful in expanding our understanding of mechanisms for fruit volatile synthesis and other aspects of secondary metabolism.

Generation of the Starting Plane Flowfield for Supersonic Flow over a Spherically Capped Body

DTIC Science & Technology

1985-05-09

1.26419b 1.142020 1.418790 1.49bbb9 1.5723211 AKC LENGTH HMS Of SHOCK SHfKn= -U.040ti3T 0.040n37 U.12223b 0.202H24 0.2a?liS6...0 00*32lM/.*0 0 00*3BB»/*0 0 Ofl*3F*l/*0 0 00*4///9*0 0 00*396F9*0 II 00*3666>;*0 0 00*3969^*0 0 00*3/ Hm *0 0 00*3FH/*°0 n 00*3I6F**0 𔃺 00...0.10B9k.Ol 25 0.1344F.01 0.i;󈧦F...l «. HM .^, .00 «.W..lt-ol ...l.M.JF.nl •’•^^’’’ *" ^^q^^::o oiibBE.oS 0 s’.UE.Ol O.bOJbE.Ol

Cinnamyl Alcohol, the Bioactive Component of Chestnut Flower Absolute, Inhibits Adipocyte Differentiation in 3T3-L1 Cells by Downregulating Adipogenic Transcription Factors.

PubMed

Hwang, Dae Il; Won, Kyung-Jong; Kim, Do-Yoon; Kim, Bokyung; Lee, Hwan Myung

2017-01-01

The extract of chestnut (Castanea crenata var. dulcis) flower (CCDF) has antioxidant and antimelanogenic properties, but its anti-obesity properties have not been previously examined. In this study, we tested the effect of CCDF absolute on adipocyte differentiation by using 3T3-L1 cells and determining the bioactive component of CCDF absolute in 3T3-L1 cell differentiation. CCDF absolute (0.1-100[Formula: see text][Formula: see text]g/mL) did not change 3T3-L1 cell viability. At 50[Formula: see text][Formula: see text]g/mL and 100[Formula: see text][Formula: see text]g/mL, the absolute significantly reduced the accumulation of lipid droplets in 3T3-L1 cells that were induced by culture in medium containing 3-isobutyl-1-methylxanthine/dexamethasone/insulin (MDI). GC/MS analysis showed that CCDF absolute contains 10 compounds. Among these compounds, cinnamyl alcohol (3-phenyl-2-propene-1-ol) dose-dependently inhibited the increased accumulation of lipid droplets in MDI-contained medium-cultured 3T3-L1 cells at a concentration range of 0.1[Formula: see text][Formula: see text]g/mL to 10[Formula: see text][Formula: see text]g/mL that did not cause cytotoxicity in 3T3-L1 cells. The inhibitory effect was significant at 5[Formula: see text][Formula: see text]g/mL ([Formula: see text] of response in MDI alone-treated state, [Formula: see text]) and 10[Formula: see text][Formula: see text]g/mL ([Formula: see text] of response in MDI alone-treated state, [Formula: see text]). Moreover, the enhanced expression of obesity-related proteins (PPAR[Formula: see text], C/EBP[Formula: see text], SREBP-1c, and FAS) in MDI medium-cultivated 3T3-L1 cells was significantly attenuated by the addition of cinnamyl alcohol at 5[Formula: see text][Formula: see text]g/mL and 10[Formula: see text][Formula: see text]g/mL. These findings demonstrate that cinnamyl alcohol suppresses 3T3-L1 cell differentiation by inhibiting anti-adipogenesis-related proteins, and it may be a main bioactive

Metabolism of the insecticidally active GABA sub A receptor antagonist 4-sec-(3,4- sup 3 H sub 2 )butyl-1-(4-cyanophenyl)-2,6,7-trioxabicyclo(2. 2. 2)octane

DOE Office of Scientific and Technical Information (OSTI.GOV)

Deng, Yanli; Palmer, C.J.; Toia, R.F.

1990-03-01

4-sec-(3,4-{sup 3}H{sub 2})Butyl-1-(4-cyanophenyl)-2,6,7-trioxabicyclo(2.2.2)octane (referred to as ({sup 3}H)COB) was examined as an example of a new class of insecticidally active compounds that block the {gamma}-aminobutyric acid gated chloride channel. Metabolites were identified by thin-layer cochromatography with standards from synthesis and by consideration of their hydrolytic and oxidative degradation products formed in situ on two-dimensional silica gel chromatoplates. Metabolism of ({sup 3}H)COB by mouse liver and housefly abdomen microsomes is dependent on fortification with NADPH. The O-methylene and sec-butyl sites are sensitive to oxidation. Each carbon of the sec-butyl group is individually functionalized with strong preference for the methylene site inmore » the mouse but not the housefly microsomal system. O-Methylene hydroxylation initiates spontaneous cage opening to form an aldehyde that undergoes metabolic reduction, ultimately yielding the same cyanobenzoate ester of 2,2-bis-(hydroxymethyl)-3-methylpentan-1-ol formed by direct hydrolysis. Houseflies injected with ({sup 3}H)COB form many if not all of the same metabolites, with major products being the aforementioned cyanobenzoate, the orthoester oxidized at the sec-butyl methylene site, and polar conjugates.« less

Summary of AH-1G flight vibration data for validation of coupled rotor-fuselage analyses

NASA Technical Reports Server (NTRS)

Dompka, R. V.; Cronkhite, J. D.

1986-01-01

Under a NASA research program designated DAMVIBS (Design Analysis Methods for VIBrationS), four U. S. helicopter industry participants (Bell Helicopter, Boeing Vertol, McDonnell Douglas Helicopter, and Sikorsky Aircraft) are to apply existing analytical methods for calculating coupled rotor-fuselage vibrations of the AH-1G helicopter for correlation with flight test data from an AH-1G Operational Load Survey (OLS) test program. Bell Helicopter, as the manufacturer of the AH-1G, was asked to provide pertinent rotor data and to collect the OLS flight vibration data needed to perform the correlations. The analytical representation of the fuselage structure is based on a NASTRAN finite element model (FEM) developed by Bell which has been extensively documented and correlated with ground vibration tests.The AH-1G FEM was provided to each of the participants for use in their coupled rotor-fuselage analyses. This report describes the AH-1G OLS flight test program and provides the flight conditions and measured vibration data to be used by each participant in their correlation effort. In addition, the mechanical, structural, inertial and aerodynamic data for the AH-1G two-bladed teetering main rotor system are presented. Furthermore, modifications to the NASTRAN FEM of the fuselage structure that are necessary to make it compatible with the OLS test article are described. The AH-1G OLS flight test data was found to be well documented and provide a sound basis for evaluating currently existing analysis methods used for calculation of coupled rotor-fuselage vibrations.

Heroin - Multiple Languages

MedlinePlus

... Spanish) PDF The basics - Opioids, part 1 - English MP3 The basics - Opioids, part 1 - español (Spanish) MP3 The basics - Opioids, part 1 - English MP4 The ... Spanish) PDF Heroin - Opioid addiction, part 7 - English MP3 Heroin - Opioid addiction, part 7 - español (Spanish) MP3 ...

Catalytic dehydrofluorination of 1,1,1,3,3-pentafluoropropane to 1,3,3,3-tetrafluoropropene over fluorinated NiO/Cr2O3 catalysts

NASA Astrophysics Data System (ADS)

Luo, Jian-Wei; Song, Jian-Dong; Jia, Wen-Zhi; Pu, Zhi-Ying; Lu, Ji-Qing; Luo, Meng-Fei

2018-03-01

Catalytic dehydrofluorination of 1,1,1,3,3-pentafluoropropane to 1,3,3,3-tetrafluoropropene was performed on a series of fluorinated NiO/Cr2O3 catalysts. The NiO/Cr2O3 catalysts were more active than the Cr2O3 because the new acid sites provided by NiF2 had higher turnover frequencies (9.43 × 10-3 - 12.08 × 10-3 s-1) than those on the Cr2O3 (4.55 × 10-3 s-1). Also, the NiO/Cr2O3 was more stable than the Cr2O3 due to its lower density of surface acid sites, which alleviated the coke deposition on the catalyst as evidenced by the Raman spectroscopic results. The kinetic results revealed that the15NiO/Cr2O3 had much lower activation energy (63.6 ± 4.5 kJ mol-1) than the Cr2O3 (127.6 ± 3.8 kJ mol-1). Accordingly, different reaction pathways on the two catalysts were proposed, which involved the cleavage of the Csbnd F and Csbnd H bonds on the surface acid and base sites, respectively.

2,2',3,3',6,6'-Hexachlorobiphenyl (PCB 136) is Enantioselectively Oxidized to Hydroxylated Metabolites by Rat Liver Microsomes

PubMed Central

Wu, Xianai; Pramanik, Ananya; Duffel, Michael W.; Hrycay, Eugene G.; Bandiera, Stelvio M.; Lehmler, Hans-Joachim; Kania-Korwel, Izabela

2011-01-01

Developmental exposure to multiple-ortho substituted polychlorinated biphenyls (PCBs) causes adverse neurodevelopmental outcomes in laboratory animals and humans by mechanisms involving the sensitization of Ryanodine receptors (RyRs). In the case of PCB 136, the sensitization of RyR is enantiospecific, with only (-)-PCB 136 being active. However, the role of enantioselective metabolism in the developmental neurotoxicity of PCB 136 is poorly understood. The present study employed hepatic microsomes from phenobarbital (PB-), dexamethasone (DEX-) and corn oil (VEH-)treated male Sprague-Dawley rats to investigate the hypothesis that PCB 136 atropisomers are enantioselectively metabolized by P450 enzymes to potentially neurotoxic, hydroxylated PCB 136 metabolites. The results demonstrated the time- and isoform-dependent formation of three metabolites, with 5-OH-PCB 136 (2,2',3,3',6,6'-hexachlorobiphenyl-5-ol) being the major metabolite. The formation of 5-OH-PCB 136 increased with the activity of P450 2B enzymes in the microsomal preparation, which is consistent with PCB 136 metabolism by rat P450 2B1. The minor metabolite 4-OH-PCB 136 (2,2',3,3',6,6'-hexachlorobiphenyl-4-ol) was produced by a currently unidentified P450 enzymes. An enantiomeric enrichment of (-)-PCB 136 was observed in microsomal incubations due to the preferential metabolism of (+)-PCB 136 to the corresponding 5-OH-PCB 136 (2,2',3,3',6,6'-hexachlorobiphenyl-5-ol) atropisomer. 4-OH-PCB 136 displayed an enrichment of the atropisomer formed from (-)-PCB 136; however, the enrichment of this metabolite atropisomer didn't affect the enantiomeric enrichment of the parent PCB because 4-OH-PCB 136 is only a minor metabolite. Although the formation of 5- and 4-OH-PCB 136 atropisomers increased with time, the enantioselective formation of the OH-PCB metabolites resulted in constant enantiomeric enrichment, especially at later incubation times. These observations not only demonstrate that the chiral signatures of

Rapid purification of the over-expressed membrane 3 β-hydroxysteroid dehydrogenase in the presence of detergents

NASA Astrophysics Data System (ADS)

Zhou, Ming; Breton, Rock; Azzi, Arezki; Lin, Sheng-Xiang

1996-10-01

Three-beta hydroxysteroid dehydrogenase / Δ 5-Δ 4 isomerase catalyses a key step in the transformation of all 5-prognen-3β-ol and 5-androsten-3β-ol steroids into the corresponding Δ 4-3-keto-steroids. Human type I 3β-HSD can be found in the subcellular fractions of mitochondria and microsome. A 1.5 kbp cDNA encoding human type I 3β-HSD was inserted into the transfer vector pBlueBac to form plasmid pBB / 3β-HSD. The recombinant baculovirus was obtained by co-transfection of wild type AcNPV genomic DNA and PBB / 3β-HSD in Sf9 cells, then used to infect Sf9 cells to over-express human 3β-HSD protein. The 3β-HSD sample was purified to homogeneity by a rapid procedure, consisting of an anion-exchange and an adsorbance chromatographies, based on FPLC and some detergents application. The whole process was successful with a purification rate of 90 fold and a high recovery (70%). The kinetic study showed a Vmax of 500 nmol/min · mg and a Km of 2.8 μM, being much more active than those reported.

Identification of the Predominant Volatile Compounds Produced by Aspergillus flavus

PubMed Central

Kaminśki, E.; Libbey, L. M.; Stawicki, S.; Wasowicz, E.

1972-01-01

A culture of Aspergillus flavus grown on moistened wheat meal was homogenized with a blendor, and the resulting slurry was vacuum-distilled at 5 mm of Hg and 35 C. The aqueous distillate was collected in traps cooled to -10 to -80 C. The culture volatiles were extracted from the distillate with CH2Cl2, and, after removal of the bulk of the solvent, the concentrated volatiles were examined by packed-column gas chromatography. Nineteen peaks were observed, and coupled gas chromatography-mass spectrometry was employed to identify the larger components. The compounds identified were: 3-methyl-butanol, 3-octanone, 3-octanol, 1-octen-3-ol, 1-octanol, and cis-2-octen-1-ol. The two octenols were the predominant compounds, and sufficient sample was trapped from the gas chromatograph for infrared analyses; this confirmed the mass spectral identifications and permitted the assignment of the cis designation to 2-octen-1-ol. Both oct-1-en-3-ol and cis-2-octen-1-ol are thought to be responsible for the characteristic musty-fungal odor of certain fungi; the latter compound may be a useful chemical index of fungal growth. PMID:4629700

Identification of the predominant volatile compounds produced by Aspergillus flavus.

PubMed

Kamiński, E; Libbey, L M; Stawicki, S; Wasowicz, E

1972-11-01

A culture of Aspergillus flavus grown on moistened wheat meal was homogenized with a blendor, and the resulting slurry was vacuum-distilled at 5 mm of Hg and 35 C. The aqueous distillate was collected in traps cooled to -10 to -80 C. The culture volatiles were extracted from the distillate with CH(2)Cl(2), and, after removal of the bulk of the solvent, the concentrated volatiles were examined by packed-column gas chromatography. Nineteen peaks were observed, and coupled gas chromatography-mass spectrometry was employed to identify the larger components. The compounds identified were: 3-methyl-butanol, 3-octanone, 3-octanol, 1-octen-3-ol, 1-octanol, and cis-2-octen-1-ol. The two octenols were the predominant compounds, and sufficient sample was trapped from the gas chromatograph for infrared analyses; this confirmed the mass spectral identifications and permitted the assignment of the cis designation to 2-octen-1-ol. Both oct-1-en-3-ol and cis-2-octen-1-ol are thought to be responsible for the characteristic musty-fungal odor of certain fungi; the latter compound may be a useful chemical index of fungal growth.

Offpost Operable Unit Remedial Investigation and Chemical Specific Applicable or Relevant and Appropriate Requirements, Version 3.1. Volume 2

DTIC Science & Technology

1988-12-01

Protective Casing 5 Depth to Water AA It. cm. Materials Used Water Level Determined By 444 Plain PVC .S,/ 1 𔃾l,/e (64𔃻/9 " / V.’ ) >.ength Plain PVC...F 7I1. •lIi•,Z,,/. . DateooimelPersonnel Casing Painted oL e 0 /f tES OatIelTimne/Personnel Numbers Painted Tv’L/ .if h114 eaV Materials U~e 13 bq...8217 -L..L Borehole Completed as Monitoring Well? 1J0I Date/Time Griouting Completed ZI " ? "i6S" Depth of Tremmie Pipe 1 I Gallons of Grout __ Materials

Improved synthesis of (3E,6Z,9Z)-1,3,6,9-nonadecatetraene, attraction inhibitor of bruce spanworm, Operophtera bruceata, to pheromone traps for monitoring winter moth, Operophtera brumata.

PubMed

Khrimian, Ashot; Lance, David R; Mastro, Victor C; Elkinton, Joseph S

2010-02-10

The winter moth, Operophtera brumata (Lepidoptera: Geometridae), is an early-season defoliator that attacks a wide variety of hardwoods and, in some cases, conifers. The insect is native to Europe but has become established in at least three areas of North America including southeastern New England. The female-produced sex attractant pheromone of the winter moth was identified as (3Z,6Z,9Z)-1,3,6,9-nonadecatetraene (1), which also attracts a native congener, the Bruce spanworm, Operophtera bruceata . Dissection, or (for certainty) DNA molecular testing, is required to differentiate between males of the two species. Thus, a trapping method that is selective for winter moth would be desirable. A geometric isomer of the pheromone, (3E,6Z,9Z)-1,3,6,9-nonadecatetraene (2), can reportedly inhibit attraction of Bruce spanworm to traps without affecting winter moth catch, but use of the pheromone and inhibitor together has not been optimized, nor has the synthesis of the inhibitor. This paper presents two new syntheses of the inhibitor (3E,6Z,9Z)-1,3,6,9-nonadecatetraene based on the intermediate (3Z,6Z)-3,6-hexadecadien-1-ol (4), which has also been utilized in the synthesis of the pheromone. The syntheses combine traditional acetylenic chemistry and Wittig olefination reactions. In one approach, 2 was synthesized in 80% purity (20% being pheromone 1), and in the second, tetraene 2 of 96% purity (and free of 1) was produced in 25% overall yield from dienol 4. The last method benefitted from a refined TEMPO-mediated PhI(OAc)(2) oxidation of 4 and a two-carbon homologation of the corresponding aldehyde 7.

Evidence for intramolecular OH⋯π hydrogen bonding in unsaturated alcohols from UV photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Kowski, Klaus; Lüttke, Wolfgang; Rademacher, Paul

2001-06-01

The gas phase He(I) photoelectron (PE) spectra of several unsaturated alcohols (1-11) have been measured and analysed with respect to intramolecular OH⋯π hydrogen bonding. Evidence for such a hydrogen bond has been detected in the spectra of 2-allylphenol (1) and 2-phenylethan-1-ol (3). 1 exists as a conformational mixture of a hydrogen bonded form 1a and an open form 1b in a composition of roughly 2:1. A strong ionization band (IPv=10.01 eV; where IPv is the vertical ionization potential) is assigned to the ethylenic Cdbnd C double bond in the major conformer (1a) and a weak band (IPv=9.72 eV) to that of the minor conformer (1b). The latter IP coincides with the corresponding ionization of allylbenzene. In the series of ω-phenylalkan-1-ols, compound 3 exhibits an unusually low nπ(O) ionization indicating hydrogen bonding between the OH group and the π electron system of the phenyl ring. The higher homologs 4 and 5 prefer 'open' conformations without such interaction. The PE spectra of alkenols such as but-3-en-1-ol (7) and pent-4-en-1-ol (8) as well as of alkynols such as but-3-yn-1-ol (10) and pent-4-yn-1-ol (11) are consistent with OH⋯π hydrogen bonded conformers. The methanol/ethylene hetero-dimer has a T-shaped structure, as indicated by B3LYP/6-311++G(d) calculations, with a binding energy of 5.65 kJ mol-1.

Trapping in water - an important prerequisite for complex reactivity in astrophysical ices: the case of acetone (CH3)2C = O and ammonia NH3

NASA Astrophysics Data System (ADS)

Fresneau, Aurélien; Danger, Grégoire; Rimola, Albert; Theule, Patrice; Duvernay, Fabrice; Chiavassa, Thierry

2014-10-01

Water is the most abundant compound in interstellar and cometary ices. Laboratory experiments on ice analogues have shown that water has a great influence on the chemical activity of these ices. In this study, we investigated the reactivity of acetone-ammonia ices, showing that water is an essential component in chemical reactions with high activation energies. In a water-free binary ice, acetone and ammonia do not react due to high activation energy, as the reactants desorb before reacting (at 120 and 140 K, respectively). By contrast, our study shows that under experimental conditions of ˜150 K, this reaction does occur in the presence of water. Here, water traps reactants in the solid phase above their desorption temperatures, allowing them to gather thermal energy as the reaction proceeds. Using infrared spectroscopy and mass spectrometry associated with isotopic labelling, as well as quantum chemical calculations, 2-aminopropan-2-ol (2HN-C(CH3)2-OH) was identified as the acetone-ammonia reaction product. The formation of this product may represent the first step towards formation of 2-aminoisobutyric acid (AIB) in the Strecker synthesis. The activation energy for the formation of 2-aminopropan-2-ol was measured to be 42 ± 3 kJ mol-1, while its desorption energy equalled 61.3 ± 0.1 kJ mol-1. Our work demonstrates that astrophysical water, rather than being a non-thermally reactive species, is crucial for the evolution of complex chemistry occurring in the Universe.

Constraining the Timescales of Rehydration in Nominally Anhydrous Minerals Using 3D Numerical Diffusion Models

NASA Astrophysics Data System (ADS)

Lynn, K. J.; Warren, J. M.

2017-12-01

Nominally anhydrous minerals (NAMs) are important for characterizing deep-Earth water reservoirs, but the water contents of olivine (ol), orthopyroxene (opx), and clinopyroxene (cpx) in peridotites generally do not reflect mantle equilibrium conditions. Ol is typically "dry" and decoupled from H in cpx and opx, which is inconsistent with models of partial melting and/or diffusive loss of H during upwelling beneath mid-ocean ridges. The rehydration of mantle pyroxenes via late-stage re-fertilization has been invoked to explain their relatively high water contents. Here, we use sophisticated 3D diffusion models (after Shea et al., 2015, Am Min) of H in ol, opx, and cpx to investigate the timescales of rehydration across a range of conditions relevant for melt-rock interaction and serpentinization of peridotites. Numerical crystals with 1 mm c-axis lengths and realistic crystal morphologies are modeled using recent H diffusivities that account for compositional variation and diffusion anisotropy. Models were run over timescales of minutes to millions of years and temperatures from 300 to 1200°C. Our 3D models show that, at the high-T end of the range, H concentrations in the cores of NAMs are partially re-equilibrated in as little as a few minutes, and completely re-equilibrated within hours to weeks. At low-T (300°C), serpentinization can induce considerable diffusion in cpx and opx. H contents are 30% re-equilibrated after continuous exposure to hydrothermal fluids for 102 and 105 years, respectively, which is inconsistent with previous interpretations that there is no effect on H in opx under similar conditions. Ol is unaffected after 1 Myr due to the slower diffusivity of the proton-vacancy mechanism at 300°C (2-4 log units lower than for opx). In the middle of the T range (700-1000°C), rehydration of opx and cpx occurs over hours to days, while ol is somewhat slower to respond (days to weeks), potentially allowing the decoupling observed in natural samples to

Proteomics reveal energy metabolism and mitogen-activated protein kinase signal transduction perturbation in human Borna disease virus Hu-H1-infected oligodendroglial cells.

PubMed

Liu, X; Yang, Y; Zhao, M; Bode, L; Zhang, L; Pan, J; Lv, L; Zhan, Y; Liu, S; Zhang, L; Wang, X; Huang, R; Zhou, J; Xie, P

2014-05-30

Borna disease virus (BDV) is a neurotropic, non-cytolytic RNA virus which replicates in the cell nucleus targeting mainly hippocampal neurons, but also astroglial and oligodendroglial cells in the brain. BDV is associated with a large spectrum of neuropsychiatric pathologies in animals. Its relationship to human neuropsychiatric illness still remains controversial. We could recently demonstrate that human BDV strain Hu-H1 promoted apoptosis and inhibited cell proliferation in a human oligodendroglial cell line (OL cells) whereas laboratory BDV strain V acted contrariwise. Here, differential protein expression between BDV Hu-H1-infected OL cells and non-infected OL cells was assessed through a proteomics approach, using two-dimensional electrophoresis followed by matrix-assisted laser desorption ionization-time of flight tandem mass spectrometry. A total of 63 differential host proteins were identified in BDV Hu-H1-infected OL cells compared to non-infected OL cells. We found that most changes referred to alterations related to the pentose phosphate pathway, glyoxylate and dicarboxylate metabolism, the tricarboxylic acid (TCA) cycle, and glycolysis /gluconeogenesis. By manual querying, two differential proteins were found to be associated with mitogen-activated protein kinase (MAPK) signal transduction. Five key signaling proteins of this pathway (i.e., p-Raf, p-MEK, p-ERK1/2, p-RSK, and p-MSK) were selected for Western blotting validation. p-ERK1/2 and p-RSK were found to be significantly up-regulated, and p-MSK was found to be significantly down-regulated in BDV Hu-H1-infected OL cells compared to non-infected OL cell. Although BDV Hu-H1 constitutively activated the ERK-RSK pathway, host cell proliferation and nuclear translocation of activated pERK in BDV Hu-H1-infected OL cells were impaired. These findings indicate that BDV Hu-H1 infection of human oligodendroglial cells significantly perturbs host energy metabolism, activates the downstream ERK-RSK complex of

A prospective population-based study of maternal, fetal, and neonatal outcomes in the setting of prolonged labor, obstructed labor and failure to progress in low- and middle-income countries.

PubMed

Harrison, Margo S; Ali, Sumera; Pasha, Omrana; Saleem, Sarah; Althabe, Fernando; Berrueta, Mabel; Mazzoni, Agustina; Chomba, Elwyn; Carlo, Waldemar A; Garces, Ana; Krebs, Nancy F; Hambidge, K; Goudar, Shivaprasad S; Dhaded, S M; Kodkany, Bhala; Derman, Richard J; Patel, Archana; Hibberd, Patricia L; Esamai, Fabian; Liechty, Edward A; Moore, Janet L; Koso-Thomas, Marion; McClure, Elizabeth M; Goldenberg, Robert L

2015-01-01

This population-based study sought to quantify maternal, fetal, and neonatal morbidity and mortality in low- and middle-income countries associated with obstructed labor, prolonged labor and failure to progress (OL/PL/FTP). A prospective, population-based observational study of pregnancy outcomes was performed at seven sites in Argentina, Guatemala, India (2 sites, Belgaum and Nagpur), Kenya, Pakistan and Zambia. Women were enrolled in pregnancy and delivery and 6-week follow-up obtained to evaluate rates of OL/PL/FTP and outcomes resulting from OL/PL/FTP, including: maternal and delivery characteristics, maternal and neonatal morbidity and mortality and stillbirth. Between 2010 and 2013, 266,723 of 267,270 records (99.8%) included data on OL/PL/FTP with an overall rate of 110.4/1000 deliveries that ranged from 41.6 in Zambia to 200.1 in Pakistan. OL/PL/FTP was more common in women aged <20, nulliparous women, more educated women, women with infants >3500g, and women with a BMI >25 (RR 1.4, 95% CI 1.3 - 1.5), with the suggestion of OL/PL/FTP being less common in preterm deliveries. Protective characteristics included parity of ≥3, having an infant <1500g, and having a BMI <18. Women with OL/PL/FTP were more likely to die within 42 days (RR 1.9, 95% CI 1.4 - 2.4), be infected (RR 1.8, 95% CI 1.5 - 2.2), and have hemorrhage antepartum (RR 2.8, 95% CI 2.1 - 3.7) or postpartum (RR 2.4, 95% CI 1.8 - 3.3). They were also more likely to have a stillbirth (RR 1.6, 95% CI 1.3 - 1.9), a neonatal demise at < 28 days (RR 1.9, 95% CI 1.6 - 2.1), or a neonatal infection (RR 1.2, 95% CI 1.1 - 1.3). As compared to operative vaginal delivery and cesarean section (CS), women experiencing OL/PL/FTP who gave birth vaginally were more likely to become infected, to have an infected neonate, to hemorrhage in the antepartum and postpartum period, and to die, have a stillbirth, or have a neonatal demise. Women with OL/PL/FTP were far more likely to deliver in a facility and be attended

Response of Tabanidae (Diptera) to natural and synthetic olfactory attractants.

PubMed

Krcmar, Stjepan; Hribar, Lawrence J; Kopi, Marija

2005-06-01

The attraction of female tabanids to Malaise traps and canopy traps baited with aged horse urine, 1-octen-3-ol, or a combination of aged horse urine and acetone was studied in the Kopacki rit Nature Park in Eastern Croatia. Malaise traps captured very few tabanids relative to canopy traps. The number of females of Tabanus tergestinus and Haematopotapluvialis collected from 1-octen-3-ol baited canopy traps differed significantly from traps baited with aged horse urine. However, the number of females of Tabanus bromius, Atylotus loewianus, and Tabanus maculicornis collected from canopy traps baited with 1-octen-3-ol and aged horse urine did not differ significantly. Canopy traps baited with aged horse urine collected significantly more Tabanus sudeticus than did traps baited with 1-octen-3-ol. Canopy traps baited with 1-octen-3-ol collected eight times more tabanids than unbaited traps, whereas canopy traps baited with aged horse urine and a combination of aged horse urine and acetone collected seven and four times as many tabanids, respectively, as did unbaited traps. It appears that 1-octen-3-oland aged horse urine are very effective attractants for tabanids in this part of Europe. Tabanus bromius was the most abundant species with 53.14% in the sample collected by canopy traps.

Studies on the structure of the plant wax nonacosan-10-ol, the main component of epicuticular wax conifers.

PubMed

Matas, Antonio J; Sanz, María José; Heredia, Antonio

2003-11-01

The main component presents in the epicuticular waxes of needles of Pinus halepensis and the most of conifers, the secondary alcohol nonacosan-10-ol, has been investigated by X-ray diffraction and differential scanning calorimetry. The results obtained from these physical techniques permitted to establish a definitive structural model of the molecular arrangement of this wax, basically in good agreement with the model formulated by other authors from theoretical formulations. Biological implications of the proposed structure have been also formulated.

Preparation of 1,1'-dinitro-3,3'-azo-1,2,4-triazole. [1,1'-dinitro-3,3'-azo-1,2,4-triazole

DOEpatents

Lee, K.Y.

1985-03-05

A new high density composition of matter, 1,1'-dinitro-3,3'-azo-1,2,4-triazole, has been synthesized using inexpensive, commonly available compounds. This compound has been found to be an explosive, and its use as a propellant is anticipated. 1 fig., 1 tab.

Identification of volatile sex pheromone components released by the southern armyworm,Spodoptera eridania (Cramer).

PubMed

Teal, P E; Mitchell, E R; Tumlinson, J H; Heath, R R; Sugie, H

1985-06-01

Analysis of sex pheromone gland extracts and volatile pheromone components collected from the calling female southern armyworm,Spodoptera eridania (Cramer), by high-resolution capillary gas chromatography and mass spectroscopy indicated that a number of 14-carbon mono- and diunsaturated acetates and a monounsaturated 16-carbon acetate were produced. Gland extracts also indicated the presence of (Z)-9-tetradecen-1-ol. However, this compound was not found in collections of volatiles. Field trapping studies indicated that the volatile blend composed of (Z)-9-tetradecen-1-ol acetate (60%), (Z)-9-(E)-12-tetradecadien-1-ol acetate (17%), (Z)-9-(Z)-12-tetradecadien-1-ol acetate (15%), (Z)-9-(E)-11-tetradecadien-1-ol acetate (5%), and (Z)-11-hexadecen-1-ol acetate (3 %) was an effective trap bait for males of this species. The addition of (Z)-9-tetradecen-1-ol to the acetate blends tested resulted in the capture of beet armyworm,S. exigua (Hubner), males which provides further evidence that the alcohol is a pheromone component of this species.

Characterization and synthesis of volatile compounds from the defensive secretions of some "daddy longlets" (Arachnida: Opiliones: Leiobunum spp.).

PubMed

Jones, T H; Meinwald, J; Hicks, K; Eisner, T

1977-02-01

Analyses of the chief volatile constituents of the defensive secretions of three oplionids were carried out. Leiobunum nigripalpi produces three closely related C7 compounds: E-4-methyl-4-hexen-3-one(I), 4-methylhexan-3-one(II), and 4-methylhexan-3-ol(III), along with E-4-methyl-4-hepten-3-one(IV), E,E-2,4-dimethylhexa-2,4-dienal(IX), and a minor, unidentified component. L. leiopenis secretion contains E-4-methyl-4-hepten-3-one(IV), 4-methylheptan-3-one(V), E,E-2,4-dimethylhexa-2,4-dien-1-ol(VII), and E,E-2,4-dimethylhepta-2,4-dien-1-ol(VIII). L. calcar yields chiefly E-4,6-dimethyl-6-octen-3-one(VI) and E,E-2,4-dimethylhexa-2,4-dien-1-ol(VII). Six of these compounds are new natural products. The structures of these compounds, which can be regarded either as polyketide-derived or as modified isoprenoids, raise interesting biosynthetic questions.

Characterization and synthesis of volatile compounds from the defensive secretions of some "daddy longlets" (Arachnida: Opiliones: Leiobunum spp.).

PubMed Central

Jones, T H; Meinwald, J; Hicks, K; Eisner, T

1977-01-01

Analyses of the chief volatile constituents of the defensive secretions of three oplionids were carried out. Leiobunum nigripalpi produces three closely related C7 compounds: E-4-methyl-4-hexen-3-one(I), 4-methylhexan-3-one(II), and 4-methylhexan-3-ol(III), along with E-4-methyl-4-hepten-3-one(IV), E,E-2,4-dimethylhexa-2,4-dienal(IX), and a minor, unidentified component. L. leiopenis secretion contains E-4-methyl-4-hepten-3-one(IV), 4-methylheptan-3-one(V), E,E-2,4-dimethylhexa-2,4-dien-1-ol(VII), and E,E-2,4-dimethylhepta-2,4-dien-1-ol(VIII). L. calcar yields chiefly E-4,6-dimethyl-6-octen-3-one(VI) and E,E-2,4-dimethylhexa-2,4-dien-1-ol(VII). Six of these compounds are new natural products. The structures of these compounds, which can be regarded either as polyketide-derived or as modified isoprenoids, raise interesting biosynthetic questions. PMID:265514

Determination of the stereochemistry of the aggregation pheromone of harlequin bug, Murgantia histrionica

USDA-ARS?s Scientific Manuscript database

Preparation of a complete stereoisomeric library of 1,10-bisaboladien-3-ols and selected 10,11-epoxy-1-bisabolen-3-ols was earlier pivotal for the identification of the aggregation pheromone of the brown marmorated stink bug, Halyomorpha halys. Herein, we describe syntheses of remaining10,11-epoxy-1...

Measuring Early Spanish Literacy: Factor Structure and Measurement Invariance of the "Phonological Awareness Literacy Screening for Kindergarteners" in Spanish ("PALS español K")

ERIC Educational Resources Information Center

Huang, Francis L.; Ford, Karen L.; Invernizzi, Marcia; Fan, Xitao

2013-01-01

We investigated the latent factor structure of the "Phonological Awareness Literacy Screening for Kindergarteners" in Spanish ("PALS español K"). Participants included 590 Spanish-speaking, public-school kindergarteners from five states. Three theoretically-guided factor structures were measured and tested with one half of our…

Dehydrogenation of indanol by rabbit liver 3-hydroxyhexobarbital dehydrogenase.

PubMed

Takenoshita, R; Toki, S

1977-06-01

1. Among the several enzyme activities in rabbit liver cytosol able to dehydrogenate 1-indanol, only the main activity was not separable from 3-hydroxyhexobarbital dehydrogenase during purification including polyacrylamide gel disc electrophoresis. 2. Results of mixed substrate method indicated that the same enzyme catalyses the dehydrogenation of 1-indanol and 3-hydroxyhexobarbital. The ratio between the two dehydrogenation activities was almost constant as the enzyme underwent thermal inactivation. The Ki values of p-chloromercuribenzoate, the Km values for NAD+, and the Km values for NADP+ were very similar for the two dehydrogenations. These results lead to the conclusion that the same enzyme catalyses the dehydrogenation of 3-hydroxyhexobarbital and 1-indanol. 3. 1-Tetralol, 1-acenaphthenol, 9-fluorenol, thiochroman-4-ol and 4-chromanol also served as substrate of the enzyme, but 2-indanol, 2-tetralol, and trans- and cis-indan-1,2-diol were not oxidized. 4. Reversibility of the reaction was also confirmed using 1-indanone as substrate.

Determination of volatile compounds in wine by gas chromatography-flame ionization detection: comparison between the U.S. Environmental Protection Agency 3sigma approach and Hubaux-Vos calculation of detection limits using ordinary and bivariate least squares.

PubMed

Caruso, Rosario; Scordino, Monica; Traulo, Pasqualino; Gagliano, Giacomo

2012-01-01

A capillary GC-flame ionization detection (FID) method to determine volatile compounds (ethyl acetate, 1,1-diethoxyethane, methyl alcohol, 1-propanol, 2-methyl-1-propanol, 2-methyl-1-butanol, 3-methyl-1-butanol, 1-butanol, and 2-butanol) in wine was investigated in terms of calculation of detection limits and calibration method. The main objectives were: (1) calculation of regression coefficient parameters by ordinary least-squares (OLS) and bivariate least-squares (BLS) regression models, taking into account errors in both axes; (2) estimation of linear dynamic range (LDR) according to International Conference on Harmonization recommendations; (3) performance evaluation of a method by using three different internal standards (ISs) such as acetonitrile, acetone, and 1-pentanol; (4) evaluation of LODs according to the U.S. Environmental Protection Agency (EPA) 3sigma approach and the Hubaux-Vos (H-V) method; (5) application of H-V theory to a gas chromatographic analytical method and to a food matrix; and (6) accuracy assessment of the method relative to methyl alcohol content through a Unione Italiana Vini (UIV) interlaboratory proficiency test. Calibration curves calculated via BLS and OLS show similar slopes, while intercepts are closer to zero in the first case, independent of the chosen IS. The studied ISs show a substantially equivalent behavior, even though the IS closer to the analyte retention time seems to be more appropriate in terms of LDR and LOD. Results indicate an underestimation of LODs using the EPA 3sigma approach instead of the more realistic H-V method, both with OLS and BLS regression models. Methanol contents compared with UIV average values indicate recovery between 90 and 110%.

A prospective population-based study of maternal, fetal, and neonatal outcomes in the setting of prolonged labor, obstructed labor and failure to progress in low- and middle-income countries

PubMed Central

2015-01-01

Background This population-based study sought to quantify maternal, fetal, and neonatal morbidity and mortality in low- and middle-income countries associated with obstructed labor, prolonged labor and failure to progress (OL/PL/FTP). Methods A prospective, population-based observational study of pregnancy outcomes was performed at seven sites in Argentina, Guatemala, India (2 sites, Belgaum and Nagpur), Kenya, Pakistan and Zambia. Women were enrolled in pregnancy and delivery and 6-week follow-up obtained to evaluate rates of OL/PL/FTP and outcomes resulting from OL/PL/FTP, including: maternal and delivery characteristics, maternal and neonatal morbidity and mortality and stillbirth. Results Between 2010 and 2013, 266,723 of 267,270 records (99.8%) included data on OL/PL/FTP with an overall rate of 110.4/1000 deliveries that ranged from 41.6 in Zambia to 200.1 in Pakistan. OL/PL/FTP was more common in women aged <20, nulliparous women, more educated women, women with infants >3500g, and women with a BMI >25 (RR 1.4, 95% CI 1.3 – 1.5), with the suggestion of OL/PL/FTP being less common in preterm deliveries. Protective characteristics included parity of ≥3, having an infant <1500g, and having a BMI <18. Women with OL/PL/FTP were more likely to die within 42 days (RR 1.9, 95% CI 1.4 – 2.4), be infected (RR 1.8, 95% CI 1.5 – 2.2), and have hemorrhage antepartum (RR 2.8, 95% CI 2.1 – 3.7) or postpartum (RR 2.4, 95% CI 1.8 – 3.3). They were also more likely to have a stillbirth (RR 1.6, 95% CI 1.3 – 1.9), a neonatal demise at < 28 days (RR 1.9, 95% CI 1.6 – 2.1), or a neonatal infection (RR 1.2, 95% CI 1.1 – 1.3). As compared to operative vaginal delivery and cesarean section (CS), women experiencing OL/PL/FTP who gave birth vaginally were more likely to become infected, to have an infected neonate, to hemorrhage in the antepartum and postpartum period, and to die, have a stillbirth, or have a neonatal demise. Women with OL/PL/FTP were far more likely

Sirt1 regulates glial progenitor proliferation and regeneration in white matter after neonatal brain injury

PubMed Central

Jablonska, Beata; Gierdalski, Marcin; Chew, Li-Jin; Hawley, Teresa; Catron, Mackenzie; Lichauco, Arturo; Cabrera-Luque, Juan; Yuen, Tracy; Rowitch, David; Gallo, Vittorio

2016-01-01

Regenerative processes in brain pathologies require the production of distinct neural cell populations from endogenous progenitor cells. We have previously demonstrated that oligodendrocyte progenitor cell (OPC) proliferation is crucial for oligodendrocyte (OL) regeneration in a mouse model of neonatal hypoxia (HX) that reproduces diffuse white matter injury (DWMI) of premature infants. Here we identify the histone deacetylase Sirt1 as a Cdk2 regulator in OPC proliferation and response to HX. HX enhances Sirt1 and Sirt1/Cdk2 complex formation through HIF1α activation. Sirt1 deacetylates retinoblastoma (Rb) in the Rb/E2F1 complex, leading to dissociation of E2F1 and enhanced OPC proliferation. Sirt1 knockdown in culture and its targeted ablation in vivo suppresses basal and HX-induced OPC proliferation. Inhibition of Sirt1 also promotes OPC differentiation after HX. Our results indicate that Sirt1 is an essential regulator of OPC proliferation and OL regeneration after neonatal brain injury. Therefore, enhancing Sirt1 activity may promote OL recovery after DWMI. PMID:27991597

Heterospin systems constructed from [Cu2Ln]3+ and [Ni(mnt)2]1-,2- Tectons: First 3p-3d-4f complexes (mnt = maleonitriledithiolato).

PubMed

Madalan, Augustin M; Avarvari, Narcis; Fourmigué, Marc; Clérac, Rodolphe; Chibotaru, Liviu F; Clima, Sergiu; Andruh, Marius

2008-02-04

New heterospin complexes have been obtained by combining the binuclear complexes [{Cu(H(2)O)L(1)}Ln(O(2)NO)(3)] or [{CuL(2)}Ln(O(2)NO)(3)] (L(1) = N,N'-propylene-di(3-methoxysalicylideneiminato); L(2) = N,N'-ethylene-di(3-methoxysalicylideneiminato); Ln = Gd(3+), Sm(3+), Tb(3+)), with the mononuclear [CuL(1)(2)] and the nickel dithiolene complexes [Ni(mnt)(2)](q)- (q = 1, 2; mnt = maleonitriledithiolate), as follows: (1)infinity[{CuL(1)}(2)Ln(O(2)NO){Ni(mnt)(2)}].Solv.CH(3)CN (Ln = Gd(3+), Solv = CH(3)OH (1), Ln = Sm(3+), Solv = CH(3)CN (2)) and [{(CH(3)OH)CuL(2)}(2)Sm(O(2)NO)][Ni(mnt)(2)] (3) with [Ni(mnt)2]2-, [{(CH(3)CN)CuL(1)}(2)Ln(H(2)O)][Ni(mnt)(2)]3.2CH(3)CN (Ln = Gd(3+) (4), Sm(3+) (5), Tb(3+) (6)), and [{(CH(3)OH)CuL(2)}{CuL(2)}Gd(O(2)NO){Ni(mnt)(2)}][Ni(mnt)(2)].CH(2)Cl(2) (7) with [Ni(mnt))(2]*-. Trinuclear, almost linear, [CuLnCu] motifs are found in all the compounds. In the isostructural 1 and 2, two trans cyano groups from a [Ni(mnt)2]2- unit bridge two trimetallic nodes through axial coordination to the Cu centers, thus leading to the establishment of infinite chains. 3 is an ionic compound, containing discrete [{(CH(3)OH)CuL(2)}(2)Sm(O(2)NO)](2+) cations and [Ni(mnt)(2)](2-) anions. Within the series 4-6, layers of discrete [CuLnCu](3+) motifs alternate with stacks of interacting [Ni(mnt)(2)](*-) radical anions, for which two overlap modes, providing two different types of stacks, can be disclosed. The strength of the intermolecular interactions between the open-shell species is estimated through extended Hückel calculations. In compound 7, [Ni(mnt)(2)](*-) radical anions coordinate group one of the Cu centers of a trinuclear [Cu(2)Gd] motif through a CN, while discrete [Ni(mnt)(2)](*-) units are also present, overlapping in between, but also with the coordinated ones. Furthermore, the [Cu(2)Gd] moieties dimerize each other upon linkage by two nitrato groups, both acting as chelate toward the gadolinium ion from one unit and monodentate toward a