Use of cement-fly ash-based stabilization techniques for the treatment of waste containing aromatic contaminants

NASA Astrophysics Data System (ADS)

Banaszkiewicz, Kamil; Marcinkowski, Tadeusz

2017-11-01

Research on evaluation of evaporation rate of volatile organic compounds from soil beds during processing is presented. For the experiment, soil samples were prepared with the same amounts of benzene and stabilized using a mixture of CEMI 42.5R cement and fly ash from pit-coal combustion. Solidification of soils contaminated with BTEX hydrocarbons using hydraulic binders involves a risk of releasing vapours of these compounds during homogenization of waste with stabilizing mixture introduced and its dilution with water. The primary purposes of the research were: analysis of benzene volume emitted from soil during stabilization/solidification process and characterization of factors that may negatively affect the quality of measurements/the course of stabilization process. Analysis of benzene emission intensity during the process was based on concentration (C6H6) values, recorded with flame-ionization detector above the surface of reacting mixture. At the same time, gaseous contaminants emitted during waste stabilization were passed through pipes filled with activated carbon (SCK, Anasorb CSC). Benzene vapours adsorbed on activated carbon were subjected to analysis using gas chromatograph Varian 450-GC. Evaporation characteristics of benzene during processing contaminated soils revealed the stages creating the highest danger to workers' health, as well as a need for actions connected with modification of technological line.

Fate of annatto tocotrienols during frying and effect on quality and stability of tortilla chips

USDA-ARS?s Scientific Manuscript database

Tocotrienols are antioxidant compounds that are increasingly valued for their health benefits. Annatto is a rich source of delta tocotrienol. Annatto extract containing tocotrienols was added to mid-oleic sunflower oil, and tortilla chips were fried in the oil over three-day frying experiments. The ...

ω-3 in meat products: benefits and effects on lipid oxidative stability.

PubMed

Bernardi, Daniela Miotto; Bertol, Teresinha Marisa; Pflanzer, Sérgio Bertelli; Sgarbieri, Valdemiro Carlos; Pollonio, Marise Aparecida Rodrigues

2016-06-01

Although ω-3 intake has been associated with numerous health benefits, its addition to certain food matrices, and in particular meat products, may involve various technological barriers influencing the final quality of the products. Lipid oxidation must be highlighted due to the modification of both the sensory characteristics and the shelf-life of meat products. In order to reduce the impact of chemical changes and promote oxidative stability, the use of natural antioxidants has gained ground owing to the health and safety advantages linked to its effectiveness at reducing lipid oxidation. Many natural compounds have also been successfully tested in animal feed, in order to protect the raw meat materials and reduce the risk of lipid oxidation in processed products. This review aims to address the challenges and advantages of the incorporation of ω-3 fatty acids in raw meat materials and processed meat products, and to describe the use of different compounds to enhance lipid oxidative stability. © 2015 Society of Chemical Industry. © 2015 Society of Chemical Industry.

Development of a standardized Intranet database of formulation records for nonsterile compounding, Part 2.

PubMed

Haile, Michael; Anderson, Kim; Evans, Alex; Crawford, Angela

2012-01-01

In part 1 of this series, we outlined the rationale behind the development of a centralized electronic database used to maintain nonsterile compounding formulation records in the Mission Health System, which is a union of several independent hospitals and satellite and regional pharmacies that form the cornerstone of advanced medical care in several areas of western North Carolina. Hospital providers in many healthcare systems require compounded formulations to meet the needs of their patients (in particular, pediatric patients). Before a centralized electronic compounding database was implemented in the Mission Health System, each satellite or regional pharmacy affiliated with that system had a specific set of formulation records, but no standardized format for those records existed. In this article, we describe the quality control, database platform selection, description, implementation, and execution of our intranet database system, which is designed to maintain, manage, and disseminate nonsterile compounding formulation records in the hospitals and affiliated pharmacies of the Mission Health System. The objectives of that project were to standardize nonsterile compounding formulation records, create a centralized computerized database that would increase healthcare staff members' access to formulation records, establish beyond-use dates based on published stability studies, improve quality control, reduce the potential for medication errors related to compounding medications, and (ultimately) improve patient safety.

Two generators to produce SI-traceable reference gas mixtures for reactive compounds at atmospheric levels

NASA Astrophysics Data System (ADS)

Pascale, C.; Guillevic, M.; Ackermann, A.; Leuenberger, D.; Niederhauser, B.

2017-12-01

To answer the needs of air quality and climate monitoring networks, two new gas generators were developed and manufactured at METAS in order to dynamically generate SI-traceable reference gas mixtures for reactive compounds at atmospheric concentrations. The technical features of the transportable generators allow for the realization of such gas standards for reactive compounds (e.g. NO2, volatile organic compounds) in the nmol · mol-1 range (ReGaS2), and fluorinated gases in the pmol ṡ mol-1 range (ReGaS3). The generation method is based on permeation and dynamic dilution. The transportable generators have multiple individual permeation chambers allowing for the generation of mixtures containing up to five different compounds. This mixture is then diluted using mass flow controllers, thus making the production process adaptable to generate the required amount of substance fraction. All parts of ReGaS2 in contact with the gas mixture are coated to reduce adsorption/desorption processes. Each input parameter required to calculate the generated amount of substance fraction is calibrated with SI-primary standards. The stability and reproducibility of the generated amount of substance fractions were tested with NO2 for ReGaS2 and HFC-125 for ReGaS3. They demonstrate stability over 1-4 d better than 0.4% and 0.8%, respectively, and reproducibility better than 0.7% and 1%, respectively. Finally, the relative expanded uncertainty of the generated amount of substance fraction is smaller than 3% with the major contributions coming from the uncertainty of the permeation rate and/or of the purity of the matrix gas. These relative expanded uncertainties meet then the needs of the data quality objectives fixed by the World Meteorological Organization.

Development and Provision of Functional Foods to Promote Health on Long-Duration Space Missions

NASA Technical Reports Server (NTRS)

Bermudez-Aguirre, D.; Cooper, M. R.; Douglas, G.; Smith, S.

2016-01-01

During long-duration NASA space missions, such as proposed missions to Mars, astronauts may experience negative physiological effects such as bone loss. Functional foods such as high-lycopene, high-flavonoids and high-omega-3 products and fruits and vegetables may mitigate the negative effects of spaceflight on physiological factors including the bone health of crewmembers. Previous studies showed that current ISS provisions provide high-lycopene and high-omega-3 food items but the variety is limited, which could promote menu fatigue. Bioactive compounds can degrade like other chemical compounds and lose functionality. The native concentrations and stability of bioactive compounds have never been determined in spaceflight foods, and adequate information is not available for commercial products for the storage durations required for space exploration (5 years). The purpose of this task is to develop new spaceflight foods that are high in omega-3 fatty acids, lycopene, or flavonoids, identify commercial products with these bioactive compounds that meet spaceflight requirements, and define the stability of these nutrients in storage to enable purposeful functional food incorporation into the space food system. The impact of storage temperature on the stability of lutein, lycopene, beta-carotene, omega-3 fatty acids, phenolics, anthocyanins and sterols is being studied in 12 ISS menu items stored at three different temperatures (4, 21, 35 degree C) over 2 years. Additionally, nutrient and quality stability are being assessed on a larger food set stored at 21 degree C over 2 years that contains twelve newly developed foods, 10 commercial products repackaged to spaceflight requirements, and another 5 current ISS menu items expected to be good sources of omega-3 fatty acids, lycopene, or flavonoids. All items were shipped overnight to the Linus Pauling Institute at Oregon State University (Corvalis, OR) after processing and 1-year of storage and analyzed for bioactive compound concentrations. Sensory evaluation was conducted on the newly developed functional foods and commercial products with untrained panelists (n is greater than or equal to 25) using a 9-point Hedonic scale to test sensory attributes and overall acceptability after processing and 1-year of storage (21 degree C). Repeat nutritional and sensory analyses will be conducted in the same foods after the 2-year storage period is completed. The stability of bioactive compounds in the selected foods was dependent on storage temperature and food matrix. Omega-3 showed excellent stability in the analyzed products after 1-year of storage, regardless of the storage temperature; phenolic compounds also showed good stability. Lycopene was more stable in oil-based products rather than water-based products because of the protection that lipids offer to lycopene molecules. Also, lycopene was more stable in freeze-dried products than in high moisture foods. The 12 newly developed functional foods showed good overall acceptability in sensory attributes after processing (average score 7.2 out of 9.0) and maintained sensory quality through 1-year (21 degree C); the overall acceptability was on average 7.1 after storage. Similar behavior was observed for the 10 commercial products after 1 year. The developed products are good sources of omega-3 (both plant and marine), vegetables (7 vegetable-based products), and good sources of carotenoids, such as the Curry Pumpkin Soup and the Sweet and Savory Kale. Nine of the new products, such as Mango Salad, Pickled Beets, and Braised Red Cabbage, are rich in phenolic compounds. Stability of most of the studied nutrients seems to be adequate after 1-year of storage in most of the tested foods. However, storage temperature of the food must be considered during long-duration space missions to achieve stability of all nutrients. Likewise, more information is needed regarding nutrient retention after 2-years of storage to identify nutritional gaps that may be expected over the 5-year shelf life required for a Mars mission. New developed products will be filling a gap in the current space food system to minimize menu fatigue, provide specific nutrients to reduce the negative effects of long-duration space missions and maintain crew members' health. Information about bioactive compounds in developed products after 1-year and 2-year of storage will provide the knowledge base for further product development.

Preservative-free triamcinolone acetonide suspension developed for intravitreal injection.

PubMed

Bitter, Christoph; Suter, Katja; Figueiredo, Verena; Pruente, Christian; Hatz, Katja; Surber, Christian

2008-02-01

All commercially available triamcinolone acetonide (TACA) suspensions, used for intravitreal treatment, contain retinal toxic vehicles (e.g., benzyl alcohol, solubilizer). Our aim was to find a convenient and reproducible method to compound a completely preservative-free TACA suspension, adapted to the intraocular physiology, with consistent quality (i.e., proven sterility and stability, constant content and dose uniformity, defined particle size, and 1 year shelf life). We evaluated two published (Membrane-filter, Centrifugation) and a newly developed method (Direct Suspending) to compound TACA suspensions for intravitreal injection. Parameters as TACA content (HPLC), particle size (microscopy and laser spectrometry), sterility, and bacterial endotoxins were assessed. Stability testing (at room temperature and 40 degrees C) was performed: color and homogeneity (visually), particle size (microscopically), TACA content and dose uniformity (HPLC) were analyzed according to International Conference on Harmonisation guidelines. Contrary to the known methods, the direct suspending method is convenient, provides a TACA suspension, which fulfills all compendial requirements, and has a 2-year shelf life. We developed a simple, reproducible method to compound stable, completely preservative-free TACA suspensions with a reasonable shelf-life, which enables to study the effect of intravitreal TACA--not biased by varying doses and toxic compounds or their residues.

Characterization of virgin olive oils produced with autochthonous Galician varieties.

PubMed

Reboredo-Rodríguez, Patricia; González-Barreiro, Carmen; Cancho-Grande, Beatriz; Valli, Enrico; Bendini, Alessandra; Gallina Toschi, Tullia; Simal-Gandara, Jesus

2016-12-01

The interest of Galician oil producers (NW Spain) in recovering the ancient autochthonous olive varieties Brava and Mansa has increased substantially in recent years. Virgin olive oils produced by co-crushing both varieties in two different proportions, reflecting the usual and most common practice adopted in this region, have gradually emerged for the production of virgin olive oils. Herein, the sensory and chemical characteristics of such oils were characterized by quality and genuineness-related parameters. The results of chemical analysis are discussed in terms of their effective contribution to the sensory profile, which suggests useful recommendations for olive oil producers to improve the quality of oils. Antioxidant compounds, together with aromas and coloured pigments were determined, and their contribution in determining the functional value and the sensory properties of oils was investigated. In general, given the high levels of phenolic compounds (ranging between 254 and 375mg/kg oil), tocopherols (about 165mg/kg oil) and carotenoids (10-12mg/kg oil); these are oils with long stability, especially under dark storage conditions, because stability is reinforced with the contribution of chlorophylls (15-22mg/kg oil). A major content of phenolic compounds, as well as a predominance of trans-2-hexen-1-al within odor-active compounds (from 897 to 1645μg/kg oil), responsible for bitter sensory notes. This characterization allows to developing new antioxidant-rich and flavour-rich VOOs, when co-crushing with a higher proportion of Brava olives, satisfying the consumers' demand in having access to more healthy dishes and peculiar sensory attributes. Copyright © 2016 Elsevier Ltd. All rights reserved.

Natural phenolics greatly increase flax (Linum usitatissimum) oil stability.

PubMed

Hasiewicz-Derkacz, Karolina; Kulma, Anna; Czuj, Tadeusz; Prescha, Anna; Żuk, Magdalena; Grajzer, Magdalena; Łukaszewicz, Marcin; Szopa, Jan

2015-06-30

Flaxseed oil is characterized by high content of essential polyunsaturated fatty acids (PUFA) promoted as a human dietary supplement protecting against atherosclerosis. The disadvantage of the high PUFA content in flax oil is high susceptibility to oxidation, which can result in carcinogenic compound formation. Linola flax cultivar is characterized by high linoleic acid content in comparison to traditional flax cultivars rich in linolenic acid. The changes in fatty acid proportions increase oxidative stability of Linola oil and broaden its use as an edible oil for cooking. However one of investigated transgenic lines has high ALA content making it suitable as omega-3 source. Protection of PUFA oxidation is a critical factor in oil quality. The aim of this study was to investigate the impact of phenylpropanoid contents on the oil properties important during the whole technological process from seed storage to grinding and oil pressing, which may influence health benefits as well as shelf-life, and to establish guidelines for the selection of new cultivars. The composition of oils was determined by chromatographic (GS-FID and LC-PDA-MS) methods. Antioxidant properties of secondary metabolites were analyzed by DPPH method. The stability of oils was investigated: a) during regular storage by measuring acid value peroxide value p-anisidine value malondialdehyde, conjugated dienes and trienes; b) by using accelerated rancidity tests by TBARS reaction; c) by thermoanalytical - differential scanning calorimetry (DSC). In one approach, in order to increase oil stability, exogenous substances added are mainly lipid soluble antioxidants from the isoprenoid pathway, such as tocopherol and carotene. The other approach is based on transgenic plant generation that accumulates water soluble compounds. Increased accumulation of phenolic compounds in flax seeds was achieved by three different strategies that modify genes coding for enzymes from the phenylpropanoid pathway. The three types of transgenic flax had different phenylpropanoid profiles detected in oil, highly increasing its stability. We found that hydrophilic phenylpropanoids more than lipophilic isoprenoid compounds determine oil stability however they can work synergistically. Among phenolics the caffeic acid was most effective in increasing oil stability.

Stability studies of saponins in Bacopa monnieri dried ethanolic extracts.

PubMed

Phrompittayarat, Watoo; Wittaya-areekul, Sakchai; Jetiyanon, Kanchalee; Putalun, Waraporn; Tanaka, Hiroyuki; Ingkaninan, Kornkanok

2008-11-01

Bacopa monnieri (L.) Wettst. (Brahmi) is currently used as a drug and food supplement for memory improvement. However, studies on the physical and chemical stability of the extract components, especially on the lead compound important for pre-formulation, have not yet been reported. In this study, the stabilities of the crude extract and the diluted crude extract were investigated at various temperatures using saponin glycosides, bacopaside I and bacoside A3 as markers for quantitative analysis. The stability testing of bacopaside I and bacoside A3 standard solution was performed at various temperatures and pH values. The quantity of both compounds under all conditions was analyzed using HPLC techniques. The moisture adsorption of the crude extract was determined at 5, 40, 60 and 80 degrees C at 75 % relative humidity using gravimetric methods. The results revealed that the crude extract quickly adsorbed moisture up to 54 % w/w at both 40 and 80 degrees C, while it only slowly adsorbed moisture at 5 degrees C. The amounts of intact bacopaside I and bacoside A3 in the crude extract decreased drastically at 80 degrees C, slowly at 40 and 60 degrees C, and remained unchanged at 5 degrees C during the period of investigation. Moreover, the amount of both compounds in the standard solution dropped sharply at a pH of 1.2 but slowly at pH 6.8 and 9.0, respectively. The pre-formulation data could be further used for improvement of the final product quality.

An integrated bioanalytical method development and validation approach: case studies.

PubMed

Xue, Y-J; Melo, Brian; Vallejo, Martha; Zhao, Yuwen; Tang, Lina; Chen, Yuan-Shek; Keller, Karin M

2012-10-01

We proposed an integrated bioanalytical method development and validation approach: (1) method screening based on analyte's physicochemical properties and metabolism information to determine the most appropriate extraction/analysis conditions; (2) preliminary stability evaluation using both quality control and incurred samples to establish sample collection, storage and processing conditions; (3) mock validation to examine method accuracy and precision and incurred sample reproducibility; and (4) method validation to confirm the results obtained during method development. This integrated approach was applied to the determination of compound I in rat plasma and compound II in rat and dog plasma. The effectiveness of the approach was demonstrated by the superior quality of three method validations: (1) a zero run failure rate; (2) >93% of quality control results within 10% of nominal values; and (3) 99% incurred sample within 9.2% of the original values. In addition, rat and dog plasma methods for compound II were successfully applied to analyze more than 900 plasma samples obtained from Investigational New Drug (IND) toxicology studies in rats and dogs with near perfect results: (1) a zero run failure rate; (2) excellent accuracy and precision for standards and quality controls; and (3) 98% incurred samples within 15% of the original values. Copyright © 2011 John Wiley & Sons, Ltd.

[Pharmaceutical research progress of rhynchophylla based on chemical stability].

PubMed

Hao, Bo; Yang, Xiu-Juan; Feng, Yi; Hong, Yan-Long

2014-12-01

Rhynchophylla is a Chinese herb commonly used in clinical practice. It's also the primary herb of some famous Chinese herbal compound such as Tianma Gouteng decoction, and Lingyang Gouteng decoction. According the record from many previous materia medica literatures, rhynchophylla should be added later during decoction. Pharmaceutical research showed that rhynchophylla alkaloids were not stable. Which has resulted in many problems in the research and its application. For example, there was not a quantitative determination method in "Chinese Pharmacopoeia" of past and present versions, which seriously impacted its quality control and product application. Firstly, records from previous materia medica literatures and "Chinese Pharmacopoeia" were systematically sorted based on the chemical stability of rhynchophylla. Secondly, pharmaceutical research including chemical compositions and their stability, pharmacological effects, extraction process and quality analysis, was reviewed after reference of literatures published at home and abroad in recent decades. Positive reference and evidence for further research and development of rhynchophylla will be provided in the article.

A Review of Nanoliposomal Delivery System for Stabilization of Bioactive Omega-3 Fatty Acids

PubMed Central

Hadian, Zahra

2016-01-01

Currently, bioactive compounds are required in the design and production of functional foods, with the aim of improving the health status of consumers all around the world. Various epidemiological and clinical studies have demonstrated the salutary role of eicosapentaenoic acid (EPA, 22:6 n−3) and docosahexaenoic acid (DHA, 22:5 n−3) in preventing diseases and reducing mortality from cardiovascular diseases. The unsaturated nature of bioactive lipids leads to susceptibility to oxidation under environmental conditions. Oxidative deterioration of omega-3 fatty acids can cause the reduction in their nutritional quality and sensory properties. Encapsulation of these fatty acids could create a barrier against reaction with harmful environmental factors. Currently, fortification of foods containing bioactive omega-3 fatty acids has found great application in the food industries of different countries. Previous studies have suggested that nano-encapsulation has significant effects on the stability of physical and chemical properties of bioactive compounds. Considering the functional role of omega-3 fatty acids, this study has provided a literature review on applications of nanoliposomal delivery systems for encapsulation of these bioactive compounds. PMID:26955449

Perspective of surface active agents in baking industry: an overview.

PubMed

Ahmad, Asif; Arshad, Nazish; Ahmed, Zaheer; Bhatti, Muhammad Shahbaz; Zahoor, Tahir; Anjum, Nomana; Ahmad, Hajra; Afreen, Asma

2014-01-01

Different researchers have previously used surfactants for improving bread qualities and revealed that these compounds result in improving the quality of dough and bread by influencing dough strength, tolerance, uniform crumb cell size, and improve slicing characteristics and gas retention. The objective of this review is to highlight the areas where surfactants are most widely used particularly in the bread industries, their role and mechanism of interaction and their contribution to the quality characteristics of the dough and bread. This review reveals some aspects of surface-active agents regarding its role physiochemical properties of dough that in turn affect the bread characteristics by improving its sensory quality and storage stability.

Compounding of vitamin A, D3, E and K3 supplements for cystic fibrosis patients: formulation and stability study.

PubMed

Huyghebaert, N; De Beer, J; Vervaet, C; Remon, J P

2007-10-01

Cystic fibrosis (CF) patients suffer from malabsorption of fat-soluble vitamins (A, D, E and K). These vitamins are available as water-dispersible (A, D(3) and E) or water-soluble grades (K(3)), which is favoured in CF patients as they fail to absorb oil-based products. The objective of this study was to determine stability of these raw materials after opening the original package and to develop a compounded formulation of acceptable quality, stability and taste, allowing flexible dose adaptation and being appropriate for administration to children and elderly people. The raw materials were stored after opening their original package for 8 months at 8 degrees C and room temperature (RT). Stability was assessed using a validated HPLC method after extraction of the vitamin from the cold water-soluble matrix (vitamin A acetate, D(3) and E) or using a spectrophotometrical method (vitamin K(3)). These materials were mixed with an appropriate lactose grade (lactose 80 m for vitamins A and D(3); lactose 90 m for vitamin E, lactose very fine powder for vitamin K(3)) and filled in hard gelatin capsules. Mass and content uniformity were determined and stability of the vitamins in the capsules was assessed after 2 months storage at 8 degrees C and RT. All raw materials showed good stability during storage in the opened original package for 8 months storage at 8 degrees C as well as RT (>95% of the initial content). The compounded formulations complied with the requirements of the European Pharmacopoeia for mass and content uniformity and can be stored for 2 months at 8 degrees C or RT while maintaining the vitamin content between 90% and 110%. As these fat-soluble vitamins are not commercially available on the Belgian market, compounded formulations are a valuable alternative for prophylactic administration of these vitamins to CF patients, i.e. a stable formulation, having an acceptable taste, allowing flexible dose adaptation and being appropriate for administration to children and elderly people.

Thirty-three years of 2-acetyl-1-pyrroline, a principal basmati aroma compound in scented rice (Oryza sativa L.): a status review.

PubMed

Wakte, Kantilal; Zanan, Rahul; Hinge, Vidya; Khandagale, Kiran; Nadaf, Altafhusain; Henry, Robert

2017-01-01

Rice is the staple food of around 3 billion people, most of them in Asia which accounts for 90% of global rice consumption. Aromatic rices have been preferred over non-aromatic rice for hundreds of years. They have a premium value in national as well as international market owing to their unique aroma and quality. Many researchers were involved in identifying the compound responsible for the pleasant aroma in aromatic rice in the 20th century. However, due to its unstable nature, 2-acetyl-1-pyrroline (2AP) was discovered very late, in 1982. Buttery and co-workers found 2AP to be the principal compound imparting the pleasant aroma to basmati and other scented rice varieties. Since then, 2AP has been identified in all fragrant rice (Oryza sativa L.) varieties and a wide range of plants, animals, fungi, bacteria and various food products. The present article reviews in detail biochemical and genetic aspects of 2AP in living systems. The site of synthesis, site of storage and stability in plant systems in vivo is of interest. This compound requires more research on stability to facilitate use as a food additive. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

Biopolyester-based systems containing naturally occurring compounds with enhanced thermo-oxidative stability.

PubMed

Arrigo, Rossella; Morici, Elisabetta; Dintcheva, Nadka Tzankova

2016-11-02

This work presents a sustainable approach for the stabilization of polylactic acid (PLA) against thermo-oxidative aging. Naturally occurring phenolic and polyphenolic compounds, such as ferulic acid (FerAc), vanillic acid (VanAc), quercetin (Querc) and vitamin E (VitE), were introduced into PLA. The preliminary characterization of the systems formulated containing different amounts of natural stabilizers showed that all compounds used acted as plasticizers, leading to a decrease in rheological functions with respect to neat PLA, without significantly modifying the crystallinity of the raw material. The study of the thermo-oxidative behavior of neat PLA and PLA/natural compound systems, performed by spectrometric and thermal analyses, indicated that all stabilizers considered were able to exert a remarkable antioxidant action against thermo-oxidative phenomena. All natural compounds considered are thus proposed as ecofriendly stabilizers, to get fully bio-based polymer systems with enhanced thermo-oxidative stability, suitable for biomedical applications.

Quality Characteristics, Nutraceutical Profile, and Storage Stability of Aloe Gel-Papaya Functional Beverage Blend

PubMed Central

Ramachandran, Pushkala; Nagarajan, Srividya

2014-01-01

Aloe vera gel, well known for its nutraceutical potential, is being explored as a functional ingredient in a wide array of health foods and drinks. Processing of exotic fruits and herbal botanicals into functional beverage is an emerging sector in food industry. The present study was undertaken to develop a spiced functional RTS beverage blend using Aloe gel (AG) and papaya. Aloe gel (30%), papaya pulp (15%), spice extract (5%), and citric acid (0.1%) were mixed in given proportion to prepare the blend with TSS of 15 °Brix. The product was bottled, pasteurized, and stored at room temperature. The quality characteristics and storage stability of the spiced beverage blend (SAGPB) were compared with spiced papaya RTS beverage (SPB). Periodic analysis was carried out up to five months for various physicochemical parameters, sugar profile, bioactive compounds, microbial quality, instrumental color, and sensory acceptability. The SAGPB exhibited superior quality characteristics compared to SPB both in fresh and in stored samples. The SPB was acceptable up to four months and SAGPB for five months. The results indicate that nutraceutical rich AG could be successfully utilized to develop functional fruit beverages with improved quality and shelf life. PMID:26904652

Development of Sorbents for Extraction and Stabilization of Nucleic Acids

DTIC Science & Technology

2016-09-13

traditional stabilization compounds. The materials were further shown to provide capture and subsequent stabilization of targets from a complex ...22 CAPTURE FROM COMPLEX SOLUTIONS...stabilization compounds (sugars and BSA). The materials were further shown to provide capture and subsequent stabilization of targets from a complex

Volatile changes in cv. Verdeal Transmontana olive oil: From the drupe to the table, including storage.

PubMed

Malheiro, Ricardo; Casal, Susana; Rodrigues, Nuno; Renard, Catherine M G C; Pereira, José Alberto

2018-04-01

This study focused on the volatile changes in cv. Verdeal Transmontana throughout the entire olive oil processing chain, from the drupe to olive oil storage up to 12 months, while correlating it with quality parameters and sensory quality. During crushing and malaxation, the volatiles formed were mainly "green-leaf volatiles" (GLVs), namely (E)-2-hexenal, hexanal, and 1-hexanol. Centrifugation and clarification steps increased the total volatile amounts to 130 mg kg -1 . However, clarification also increased nonanal and (E)-2-decenal contents, two markers of oxidation, with a noticeable loss of phenolic compounds and oxidative stability. During storage, the total volatile amounts reduced drastically (94% at 12 months after extraction), together with the positive sensory attributes fruity, green, bitter, and pungent. Despite being classified as extra-virgin after one year of storage, peroxides and conjugated dienes were significantly higher while there was a reduction in antioxidant capacity as well as in phenolic compounds (less 50%) and oxidative stability (57%). The present work allowed concluding that the extraction process modulates the volatile composition of olive oil, with a concentration of volatiles at the clarification step. During storage, volatiles are lost, mainly eight months after extraction, leading to the loss of important sensory attributes. Copyright © 2018 Elsevier Ltd. All rights reserved.

Wine Resveratrol: From the Ground Up

PubMed Central

Bavaresco, Luigi; Lucini, Luigi; Busconi, Matteo; Flamini, Riccardo; De Rosso, Mirko

2016-01-01

The ability of the grapevine to activate defense mechanisms against some pathogens has been shown to be linked to the synthesis of resveratrol and other stilbenes by the plant (inducible viniferins). Metabolized viniferins may also be produced or modified by extracellular enzymes released by the pathogen in an attempt to eliminate undesirable toxic compounds. Because of the important properties of resveratrol, there is increasing interest in producing wines with higher contents of this compound and a higher nutritional value. Many biotic and abiotic elicitors can trigger the resveratrol synthesis in the berries, and some examples are reported. Under the same elicitation pressure, viticultural and enological factors can substantially affect the resveratrol concentration in the wine. The production of high resveratrol-containing grapes and wines relies on quality-oriented viticulture (suitable terroirs and sustainable cultural practices) and winemaking technologies that avoid degradation of the compound. In general, the oenological practices commonly used to stabilize wine after fermentation do not affect resveratrol concentration, which shows considerable stability. Finally the paper reports on two sirtuin genes (SIRT) expressed in grapevine leaves and berries and the role of resveratrol on the deacetylation activity of the encoded enzymes. PMID:27089363

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

Moran, James J.; Kreuzer, Helen W.; Carman, April J.

Acid scavengers are frequently used as stabilizer compounds in a variety of applications. When used to stabilize volatile compounds such as nerve agents, the lower volatility and higher stability of acid scavengers make them more persistent in a post-event forensic setting. We are employing compound-specific stable isotope analysis of the carbon, nitrogen, and hydrogen components of three acid scavenging compounds (N,N-diethylaniline, tributylamine, and triethylamine) as a tool for distinguishing between different samples of the stabilizers. Combined analysis of three stable isotopes in these samples improves the technique’s resolving potential, enhancing sample matching capabilities. The compound specific methods developed here canmore » be applied to instances where these compounds are not pure, such as when mixed with an agent or when found as a residue at an event site. Effective sample matching can be crucial for linking compounds at multiple event sites or linking a supply inventory to an event.« less

Studies of obtaining and stability in aqueous medium of new complex compounds of Ti(IV) and Zr(IV) used in ecological leather tanning

NASA Astrophysics Data System (ADS)

Crudu, Marian; Sibiescu, Doina; Rosca, Ioan; Sutiman, Daniel; Vizitiu, Mihaela

2009-01-01

In this paper, the study of obtaining new coordination compounds of Ti(IV) and Zr(IV) using as ligand: D,L-β-iso-butyric acid, is presented. Also, the stability of these compounds in aqueous medium is studied. The studies of obtaining and of stability of the new compounds were accomplished in aqueous solutions using methods characteristic for coordination compounds: conductance and pH measurements. The combination ratios and the stability were determined with methods characteristic for studies in solutions. From experimental data resulted that the combination ratio of central metallic atoms with the ligand derived from D,L-β-iso-butyric acid was 1:2. From experimental data resulted that in strong acid and strong basic mediums, the coordination compounds could not be obtained. The optimal stability of the studied compounds is limited between 3-6, pH - values. This fact is in accordance with the conditions of using these compounds in ecological leather tanning. Of great importance is that these compounds were used with very good results in tanning processes of different types of leather. This fact evidenced that the ecological alternative of tanning is better than non-ecological tanning using chrome compounds. The importance of this paper consists in obtaining new coordination compounds that can be used in ecological leather tanning.

Multivariate approaches for stability control of the olive oil reference materials for sensory analysis - part II: applications.

PubMed

Valverde-Som, Lucia; Ruiz-Samblás, Cristina; Rodríguez-García, Francisco P; Cuadros-Rodríguez, Luis

2018-02-09

The organoleptic quality of virgin olive oil depends on positive and negative sensory attributes. These attributes are related to volatile organic compounds and phenolic compounds that represent the aroma and taste (flavour) of the virgin olive oil. The flavour is the characteristic that can be measured by a taster panel. However, as for any analytical measuring device, the tasters, individually, and the panel, as a whole, should be harmonized and validated and proper olive oil standards are needed. In the present study, multivariate approaches are put into practice in addition to the rules to build a multivariate control chart from chromatographic volatile fingerprinting and chemometrics. Fingerprinting techniques provide analytical information without identify and quantify the analytes. This methodology is used to monitor the stability of sensory reference materials. The similarity indices have been calculated to build multivariate control chart with two olive oils certified reference materials that have been used as examples to monitor their stabilities. This methodology with chromatographic data could be applied in parallel with the 'panel test' sensory method to reduce the work of sensory analysis. © 2018 Society of Chemical Industry. © 2018 Society of Chemical Industry.

Effects of ultrasound treatment in purple cactus pear (Opuntia ficus-indica) juice.

PubMed

Zafra-Rojas, Quinatzin Yadira; Cruz-Cansino, Nelly; Ramírez-Moreno, Esther; Delgado-Olivares, Luis; Villanueva-Sánchez, Javier; Alanís-García, Ernesto

2013-09-01

Cactus pear (Opuntia ficus-indica) fruit is a berry with a tasty pulp full of seeds that constitutes about 10-15% of the edible pulp. In Mexico, cactus pear is mainly consumed fresh, but also has the potential to be processed in other products such as juice. The objective of this study was to evaluate the effect of different ultrasound conditions at amplitude levels ranging (40% and 60% for 10, 15, 25 min; 80% for 3, 5, 8, 10, 15 and 25 min) on the characteristics of purple cactus pear juice. The evaluated parameters were related with the quality (stability, °Brix, pH), microbial growth, total phenolic compounds, ascorbic acid and antioxidant activity (ABTS, DPPH and % chelating activity) of purple cactus pear juices. The ultrasound treatment for time period of 15 and 25 min significantly reduced the microbial count in 15 and 25 min, without affecting the juice quality and its antioxidant properties. Juice treated at 80% of amplitude level showed an increased of antioxidant compounds. Our results demonstrated that sonication is a suitable technique for cactus pear processing. This technology allows the achievement of juice safety and quality standards without compromising the retention of antioxidant compounds. Copyright © 2013 Elsevier B.V. All rights reserved.

Alkaline earth metal complexes of a phosphine-borane-stabilized carbanion: synthesis, structures, and stabilities.

PubMed

Izod, Keith; Wills, Corinne; Clegg, William; Harrington, Ross W

2007-05-14

The reaction between either MgI2 or CaI2 and 2 equiv of [(Me3Si)2{Me2(H3B)P}C]K (2) in toluene gives the corresponding organo-alkaline earth metal compounds [(Me3Si)2{Me2(H3B)P}C]2M in moderate to good yields [M = Mg (3), Ca (4)]. Compound 3 crystallizes solvent-free, whereas X-ray quality crystals of 4 could not be obtained in the absence of coordinating solvents; crystallization of 4 from cold methylcyclohexane/THF gives the solvate [(Me3Si)2{Me2(H3B)P}C]2Ca(THF)4 (4a). The corresponding heavier alkaline earth metal complexes [(Me3Si)2{Me2(H3B)P}C]2M(THF)5 [M = Sr (7), Ba (8)] are obtained from the reaction between MI2 and 2 equiv of 2 in THF, followed by recrystallization from cold methylcyclohexane/THF. Compound 3 degrades over a period of several weeks at room-temperature both in the solid state and in toluene solution to give the free phosphine-borane (Me3Si)2{Me2(H3B)P}CH (5) as the sole phosphorus-containing product. In addition, compounds 3, 4, and 4a react rapidly with THF in toluene solution, yielding 5 as the sole phosphorus-containing product; in contrast, compounds 7 and 8 are stable toward this solvent.

Influence of processing parameters on morphology of polymethoxyflavone in emulsions.

PubMed

Ting, Yuwen; Li, Colin C; Wang, Yin; Ho, Chi-Tang; Huang, Qingrong

2015-01-21

Polymethoxyflavones (PMFs) are groups of compounds isolated from citrus peels that have been documented with wide arrays of health-promoting bioactivities. Because of their hydrophobic structure and high melting point, crystallized PMFs usually have poor systemic bioavailability when consumed orally. To improve the oral efficiency of PMFs, a viscoelastic emulsion system was formulated. Because of the crystalline nature, the inclusion of PMFs into the emulsion system faces great challenges in having sufficient loading capacity and stabilities. In this study, the process of optimizing the quality of emulsion-based formulation intended for PMF oral delivery was systematically studied. With alteration of the PMF loading concentration, processing temperature, and pressure, the emulsion with the desired droplet and crystal size can be effectively fabricated. Moreover, storage temperatures significantly influenced the stability of the crystal-containing emulsion system. The results from this study are a good illustration of system optimization and serve as a great reference for future formulation design of other hydrophobic crystalline compounds.

Outdoor pilot-scale cultivation of Spirulina sp. LEB-18 in different geographic locations for evaluating its growth and chemical composition.

PubMed

de Jesus, Cristiane Santos; da Silva Uebel, Lívia; Costa, Samantha Serra; Miranda, Andréa Lobo; de Morais, Etiele Greque; de Morais, Michele Greque; Costa, Jorge Alberto Vieira; Nunes, Itaciara Larroza; de Souza Ferreira, Ederlan; Druzian, Janice Izabel

2018-05-01

This study evaluated whether outdoor cultivation of Spirulina sp. in different geographical locations affected its growth and biomass quality, with respect to the chemical composition, volatile compound and heavy metal content, and thermal stability. The positive effect of solar radiation and temperature on biomass productivity in Spirulina sp. cultivated in the northeast was directly related to its improved nutritional characteristics, which occurred with an increase in protein, phycocyanin, and polyunsaturated fatty acid (mainly γ-linolenic) content. The biomass produced in Northeast and South Brazil showed high thermal stability and had volatile compounds that could be used as biomarkers of Spirulina, and their parameters were within the limits of internationally recognized standards for food additives; hence, they have been considered safe foods. However, the growth of crops in south Brazil occurred at lower rates due to low temperatures and luminous intensities, indicative of the robustness of microalgae in relation to these parameters. Copyright © 2018 Elsevier Ltd. All rights reserved.

The Effect of High Pressure Techniques on the Stability of Anthocyanins in Fruit and Vegetables

PubMed Central

Marszałek, Krystian; Woźniak, Łukasz; Kruszewski, Bartosz; Skąpska, Sylwia

2017-01-01

Anthocyanins are a group of phenolic compounds responsible for red, blue and violet colouration of many fruits, vegetables and flowers. The high content of these pigments is important as it influences directly their health promoting properties as well as the sensory quality of the product; however they are prone to degradation by, inter alia, elevated temperature and tissue enzymes. The traditional thermal methods of food preservation cause significant losses of these pigments. Thus, novel non-thermal techniques such as high pressure processing, high pressure carbon dioxide and high pressure homogenization are under consideration. In this review, the authors attempted to summarize the current knowledge of the impact of high pressure techniques on the stability of anthocyanins during processing and storage of fruit and vegetable products. Furthermore, the effect of the activity of enzymes involved in the degradation of these compounds has been described. The conclusions including comparisons of pressure-based methods with high temperature preservation techniques were presented. PMID:28134807

The Effect of High Pressure Techniques on the Stability of Anthocyanins in Fruit and Vegetables.

PubMed

Marszałek, Krystian; Woźniak, Łukasz; Kruszewski, Bartosz; Skąpska, Sylwia

2017-01-27

Anthocyanins are a group of phenolic compounds responsible for red, blue and violet colouration of many fruits, vegetables and flowers. The high content of these pigments is important as it influences directly their health promoting properties as well as the sensory quality of the product; however they are prone to degradation by, inter alia, elevated temperature and tissue enzymes. The traditional thermal methods of food preservation cause significant losses of these pigments. Thus, novel non-thermal techniques such as high pressure processing, high pressure carbon dioxide and high pressure homogenization are under consideration. In this review, the authors attempted to summarize the current knowledge of the impact of high pressure techniques on the stability of anthocyanins during processing and storage of fruit and vegetable products. Furthermore, the effect of the activity of enzymes involved in the degradation of these compounds has been described. The conclusions including comparisons of pressure-based methods with high temperature preservation techniques were presented.

The Influence of Tablet Formulation, Drug Concentration, and pH Modification on the Stability of Extemporaneously Compounded Levothyroxine Suspensions.

PubMed

Svirskis, Darren; Lin, Shao-Wei; Brown, Helen; Sangaroomthong, Annie; Shin, Daniel; Wang, Ziqi; Xu, Hongtao; Dean, Rebecca; Vareed, Preetika; Jensen, Maree; Wu, Zimei

2018-01-01

Three brands of levothyroxine tablets are currently available in New Zealand (Eltroxin, Mercury Pharma, Synthroid) for extemporaneous compounding into suspensions. This study aims to determine whether tablet brand (i.e., formulation), concentration, storage conditions, as well as pH, impact the stability of compounded levothyroxine suspensions. Using the three available brands of levothyroxine tablets, suspensions were compounded at concentrations of 15 µg/mL and 25 µg/mL and stored at 4°C and 22°C. Samples were withdrawn weekly for 4 weeks, and chemical stability was evaluated using high-performance liquid chromatographic analysis. Physical appearance, ease of resuspension, and pH were also monitored weekly. To evaluate the effect on drug stability, pH modifiers were added to a suspension. As demonstrated by high-performance liquid chromatographic analysis, the suspensions compounded from the Eltroxin and Mercury Pharma tablets were more stable (>90% remaining after 4 weeks) than Synthroid across both storage conditions and concentrations. The drug was more stable at the higher concentration of 25 µg/mL than at 15 µg/mL. Levothyroxine was stable when pH was increased to pH 8 through the addition of sodium citrate; stability was reduced at a lower pH. Storage temperature did not affect the stability of the suspensions during the 4-week study. This is the first study demonstrating the impact of tablet brand, with different excipients, and drug concentrations on stability, and thus the beyond-use date of the compounded levothyroxine liquid formulations. The pH control achieved by sodium citrate, either as an excipient in tablets or an additive during compounding, improved drug stability. Copyright© by International Journal of Pharmaceutical Compounding, Inc.

Discovery of novel S1P2 antagonists. Part 2: Improving the profile of a series of 1,3-bis(aryloxy)benzene derivatives.

PubMed

Kusumi, Kensuke; Shinozaki, Koji; Yamaura, Yoshiyuki; Hashimoto, Ai; Kurata, Haruto; Naganawa, Atsushi; Ueda, Hideyuki; Otsuki, Kazuhiro; Matsushita, Takeshi; Sekiguchi, Tetsuya; Kakuuchi, Akito; Seko, Takuya

2015-10-15

Our initial lead compound 2 was modified to improve its metabolic stability. The resulting compound 5 showed excellent metabolic stability in rat and human liver microsomes. We subsequently designed and synthesized a hybrid compound of 5 and the 1,3-bis(aryloxy) benzene derivative 1, which was previously reported by our group to be an S1P2 antagonist. This hybridization reaction gave compound 9, which showed improved S1P2 antagonist activity and good metabolic stability. The subsequent introduction of a carboxylic acid moiety into 9 resulted in 14, which showed potent antagonist activity towards S1P2 with a much smaller species difference between human S1P2 and rat S1P2. Compound 14 also showed good metabolic stability and an improved safety profile compared with compound 9. Copyright © 2015 Elsevier Ltd. All rights reserved.

Nanostructures for delivery of natural antimicrobials in food.

PubMed

Lopes, Nathalie Almeida; Brandelli, Adriano

2017-04-10

Natural antimicrobial compounds are a topic of utmost interest in food science due to the increased demand for safe and high-quality foods with minimal processing. The use of nanostructures is an interesting alternative to protect and delivery antimicrobials in food, also providing controlled release of natural compounds such as bacteriocins and antimicrobial proteins, and also for delivery of plant derived antimicrobials. A diversity of nanostructures are capable of trapping natural antimicrobials maintaining the stability of substances that are frequently sensitive to food processing and storage conditions. This article provides an overview on natural antimicrobials incorporated in nanostructures, showing an effective antimicrobial activity on a diversity of food spoilage and pathogenic microorganisms.

Materials Screening for the Discovery of New Half-Heuslers: Machine Learning versus ab Initio Methods.

PubMed

Legrain, Fleur; Carrete, Jesús; van Roekeghem, Ambroise; Madsen, Georg K H; Mingo, Natalio

2018-01-18

Machine learning (ML) is increasingly becoming a helpful tool in the search for novel functional compounds. Here we use classification via random forests to predict the stability of half-Heusler (HH) compounds, using only experimentally reported compounds as a training set. Cross-validation yields an excellent agreement between the fraction of compounds classified as stable and the actual fraction of truly stable compounds in the ICSD. The ML model is then employed to screen 71 178 different 1:1:1 compositions, yielding 481 likely stable candidates. The predicted stability of HH compounds from three previous high-throughput ab initio studies is critically analyzed from the perspective of the alternative ML approach. The incomplete consistency among the three separate ab initio studies and between them and the ML predictions suggests that additional factors beyond those considered by ab initio phase stability calculations might be determinant to the stability of the compounds. Such factors can include configurational entropies and quasiharmonic contributions.

Chemical, Rheological and Nutritional Characteristics of Sesame and Olive Oils Blended with Linseed Oil.

PubMed

Hashempour-Baltork, Fataneh; Torbati, Mohammadali; Azadmard-Damirchi, Sodeif; Peter Savage, Geoffrey

2018-03-01

Purpose: Nutritional quality and oxidation stability are two main factors in the evaluation of edible oils. Oils in their pure form do not have an ideal fatty acid composition or suitable oxidative stability during processing or storage. Methods: This study was designed to evaluate the chemical, nutritional and rheological properties of oil mixtures in three ratios of olive: sesame: linseed, 65:30:5; 60:30:10 and 55:30:15. Acidity value, peroxide value, rancimat test, fatty acid profile, nutritional indexes and rheological properties of the oil blends were determined. The nutritional quality was determined by indexes, including the atherogenic and thrombogenic indexs; the ratios of hypocholesterolemic: hypercholesterolemic; poly unsaturated fatty acid: saturated fatty acid and the ω 6 :ω 3 . Results: The results indicated that blending of other vegetable oils with linseed oil could balance ω 6 :ω 3 . Results showed that formulated oils had a good balance of oxidation stability and nutritional properties as well. Rheological data showed that these oil blends followed Newtonian behavior at 4°C and 25°C. Conclusion: According to the results, addition of linseed oil to vegetable oils containing high levels of bioactive compounds was a simple and economic practice to obtain a functional oil with good nutritional and stability properties.

Flip the tip: an automated, high quality, cost-effective patch clamp screen.

PubMed

Lepple-Wienhues, Albrecht; Ferlinz, Klaus; Seeger, Achim; Schäfer, Arvid

2003-01-01

The race for creating an automated patch clamp has begun. Here, we present a novel technology to produce true gigaseals and whole cell preparations at a high rate. Suspended cells are flushed toward the tip of glass micropipettes. Seal, whole-cell break-in, and pipette/liquid handling are fully automated. Extremely stable seals and access resistance guarantee high recording quality. Data obtained from different cell types sealed inside pipettes show long-term stability, voltage clamp and seal quality, as well as block by compounds in the pM range. A flexible array of independent electrode positions minimizes consumables consumption at maximal throughput. Pulled micropipettes guarantee a proven gigaseal substrate with ultra clean and smooth surface at low cost.

Monitoring the apple polyphenol oxidase-modulated adduct formation of phenolic and amino compounds.

PubMed

Reinkensmeier, Annika; Steinbrenner, Katrin; Homann, Thomas; Bußler, Sara; Rohn, Sascha; Rawel, Hashadrai M

2016-03-01

Minimally processed fruit products such as smoothies are increasingly coming into demand. However, they are often combined with dairy ingredients. In this combination, phenolic compounds, polyphenoloxidases, and amino compounds could interact. In this work, a model approach is presented where apple serves as a source for a high polyphenoloxidase activity for modulating the reactions. The polyphenoloxidase activity ranged from 128 to 333nakt/mL in different apple varieties. From these, 'Braeburn' was found to provide the highest enzymatic activity. The formation and stability of resulting chromogenic conjugates was investigated. The results show that such adducts are not stable and possible degradation mechanisms leading to follow-up products formed are proposed. Finally, apple extracts were used to modify proteins and their functional properties characterized. There were retaining antioxidant properties inherent to phenolic compounds after adduct formation. Consequently, such interactions may also be utilized to improve the textural quality of food products. Copyright © 2015 Elsevier Ltd. All rights reserved.

Microbial diversity and their roles in the vinegar fermentation process.

PubMed

Li, Sha; Li, Pan; Feng, Feng; Luo, Li-Xin

2015-06-01

Vinegar is one of the oldest acetic acid-diluted solution products in the world. It is produced from any fermentable sugary substrate by various fermentation methods. The final vinegar products possess unique functions, which are endowed with many kinds of compounds formed in the fermentation process. The quality of vinegar is determined by many factors, especially by the raw materials and microbial diversity involved in vinegar fermentation. Given that metabolic products from the fermenting strains are directly related to the quality of the final products of vinegar, the microbial diversity and features of the dominant strains involved in different fermentation stages should be analyzed to improve the strains and stabilize fermentation. Moreover, although numerous microbiological studies have been conducted to examine the process of vinegar fermentation, knowledge about microbial diversity and their roles involved in fermentation is still fragmentary and not systematic enough. Therefore, in this review, the dominant microorganism species involved in the stages of alcoholic fermentation and acetic acid fermentation of dissimilar vinegars were summarized. We also summarized various physicochemical properties and crucial compounds in disparate types of vinegar. Furthermore, the merits and drawbacks of vital fermentation methods were generalized. Finally, we described in detail the relationships among microbial diversity, raw materials, fermentation methods, physicochemical properties, compounds, functionality, and final quality of vinegar. The integration of this information can provide us a detailed map about the microbial diversity and function involved in vinegar fermentation.

Ambient measurement of ammonia and formaldehyde: Open path vs. extractive approach.

NASA Astrophysics Data System (ADS)

Rajamäki, Timo

2017-04-01

Ammonia NH3 and formaldehyde CH2O are some of the most critical chemicals for air quality. Reliable online measurement of these gases is one of the key operations for air quality and safety monitoring, in indoor, outdoor and process applications alike. Ammonia and formaldehyde are reactive compounds and they are harmful, even in very low ppb level concentrations. This means challenges for measurement system in all of its critical aspects: sampling, calibration and sensitivity. We are applying techniques so far successfully used to measure reactive inorganic compounds like ammonia NH3 and hydrogen fluoride HF to tackle these challenges. Now a novel setup based on direct laser absorption with cavity enhancement employing fundamental vibration level excitations of ammonia and formaldehyde molecules is constructed in connection with new mechanics and algorithms optimized for gas exchange and sampling in the case of these reactive molecules easily sticking to surfaces. An aberration corrected multipass sample cell in vacuum pressure is used in parallel with an open path multipass setup. The CH2O and NH3 calibration gases necessary for system calibration are dynamically generated using traceable standards and components. We compare these two approaches with special emphasis on the system's response time, robustness, sensitivity, usability in field conditions, maintenance need and long term stability. A further coal is to enable the use of the same setups also for simultaneous measurement of other reactive compounds often encountered in air quality monitoring. This would make possible more comprehensive and also economic monitoring of these compounds with a single device.

Stabilization of coacervate systems by products of abiogenic oxidation of low-molecular-weight compounds using the energy of. gamma. radiation

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

Evreinova, T.N.; Kuzin, A.M.; Kryukova, L.M.

1976-01-01

The purpose of the study was to determine the possibility of stabilization of protein-carbohydrate and protein-nucleic acid systems by products of the abiogenic oxidation of pyrocatechol, pyrogallol, and o-dianisidine using the energy of gamma radiation. The protein-nucleic acid system was produced by mixing the following reagents: histone, DNA, acetate buffer, and a solution of oxidized compounds. The protein-carbohydrate system was produced by mixing the following reagents: histone, gum arabic, acetate buffer, and a solution of oxidized compounds. Results indicated that the stabilization of coacervate systems occurs when stabilizing low-molecular-weight compounds of the type of quinones and the imino form ofmore » o-dianisidine are included in them. These compounds may be formed under the action of physical factors without the participation of enzymes. (HLW)« less

Characteristics of rose hip (Rosa canina L.) cold-pressed oil and its oxidative stability studied by the differential scanning calorimetry method.

PubMed

Grajzer, Magdalena; Prescha, Anna; Korzonek, Katarzyna; Wojakowska, Anna; Dziadas, Mariusz; Kulma, Anna; Grajeta, Halina

2015-12-01

Two new commercially available high linolenic oils, pressed at low temperature from rose hip seeds, were characterised for their composition, quality and DPPH radical scavenging activity. The oxidative stability of oils was assessed using differential scanning calorimetry (DSC). Phytosterols, tocopherols and carotenoids contents were up to 6485.4; 1124.7; and 107.7 mg/kg, respectively. Phenolic compounds determined for the first time in rose hip oil totalled up to 783.55 μg/kg, with a predominant presence of p-coumaric acid methyl ester. Antiradical activity of the oils reached up to 3.00 mM/kg TEAC. The acid, peroxide and p-anisidine values as well as iron and copper contents indicated good quality of the oils. Relatively high protection against oxidative stress in the oils seemed to be a result of their high antioxidant capacity and the level of unsaturation of fatty acids. Copyright © 2015 Elsevier Ltd. All rights reserved.

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.

Natural extracts versus sodium ascorbate to extend the shelf life of meat-based ready-to-eat meals.

PubMed

Price, Alejandra; Díaz, Pedro; Bañón, Sancho; Garrido, Maria Dolores

2013-10-01

The effect of grape seed and green tea extracts was compared with effect of sodium ascorbate on bacterial spoilage, lipid stability and sensory quality in cooked pork meatballs during refrigerated storage. Meatballs were stored at 4  in aerobic packaging for 0, 4, 8, 12 and 16 days under retail display conditions. Lipid oxidation was evaluated as thiobarbituric acid reactive substances, volatile compounds and cholesterol oxidation products. Colour stability was assessed through CIELab parameters. Microbiological spoilage was determined through total viable, mould and yeast and coliform counts. The samples containing green tea and grape seed extracts showed lower levels of thiobarbituric acid reacting substances, major volatile compounds and microbiological counts than the samples with sodium ascorbate. Formation of cholesterol oxidation products was also inhibited to a greater extent. Colour of meatballs and pork meatballs was not affected by refrigerated storage; however, the addition of extracts provided brown shades. The addition of antioxidants did not modify the sensory attributes except for the colour. Green tea and grape seed extracts were more effective than sodium ascorbate at preventing lipid oxidation.

Effect of different iron compounds on rheological and technological parameters as well as bioaccessibility of minerals in whole wheat bread.

PubMed

Rebellato, Ana Paula; Bussi, Jéssica; Silva, Joyce Grazielle Siqueira; Greiner, Ralf; Steel, Caroline Joy; Pallone, Juliana Azevedo Lima

2017-04-01

This study aimed at investigating the effect of iron compounds used in whole wheat flour (WWF) fortification, both on rheological properties of the dough and on bread technological quality. Furthermore, bioaccessibility of iron (Fe), zinc (Zn) and calcium (Ca) in the final breads was determined. Rheological properties (mainly dough development time, stability, mixing tolerance index, resistance to extension and ratio number) of the dough and the technological quality of bread (mainly oven spring and cut opening) were altered. However, producing roll breads fortified with different iron compounds was still possible. NaFeEDTA (ferric sodium ethylene diamine tetra acetic acid) proved to be the most effective iron compound in the fortification of WWF, since it presented the highest levels of solubility (44.80%) and dialysability (46.14%), followed by microencapsulated ferrous fumarate (FFm). On the other hand, the microencapsulated ferrous sulfate (FSm) and reduced iron presented the lowest solubility (5.40 and 18.30%, respectively) and dialysability (33.12 and 31.79%, respectively). Zn dialysis was positively influenced by NaFeEDTA, FSm, and ferrous fumarate. As for Ca, dialysis was positively influenced by FSm and negatively influenced by FFm. The data indicated that there is a competitive interaction for the absorption of these minerals in whole wheat roll breads, but all studied minerals can be considered bioaccessible. Copyright © 2017 Elsevier Ltd. All rights reserved.

Electrode stabilizing materials

DOEpatents

Amine, Khalil; Abouimrane, Ali; Moore, Jeffrey S.; Odom, Susan A.

2015-11-03

An electrolyte includes a polar aprotic solvent; an alkali metal salt; and an electrode stabilizing compound that is a monomer, which when polymerized forms an electrically conductive polymer. The electrode stabilizing compound is a thiophene, a imidazole, a anilines, a benzene, a azulene, a carbazole, or a thiol. Electrochemical devices may incorporate such electrolytes.

Molecular Dynamics Simulation Study on the Binding and Stabilization Mechanism of Antiprion Compounds to the "Hot Spot" Region of PrPC.

PubMed

Zhou, Shuangyan; Liu, Xuewei; An, Xiaoli; Yao, Xiaojun; Liu, Huanxiang

2017-11-15

Structural transitions in the prion protein from the cellular form, PrP C , into the pathological isoform, PrP Sc , are regarded as the main cause of the transmissible spongiform encephalopathies, also known as prion diseases. Hence, discovering and designing effective antiprion drugs that can inhibit PrP C to PrP Sc conversion is regarded as a promising way to cure prion disease. Among several strategies to inhibit PrP C to PrP Sc conversion, stabilizing the native PrP C via specific binding is believed to be one of the valuable approaches and many antiprion compounds have been reported based on this strategy. However, the detailed mechanism to stabilize the native PrP C is still unknown. As such, to unravel the stabilizing mechanism of these compounds to PrP C is valuable for the further design and discovery of antiprion compounds. In this study, by molecular dynamics simulation method, we investigated the stabilizing mechanism of several antiprion compounds on PrP C that were previously reported to have specific binding to the "hot spot" region of PrP C . Our simulation results reveal that the stabilization mechanism of specific binding compounds can be summarized as (I) to stabilize both the flexible C-terminal of α2 and the hydrophobic core, such as BMD42-29 and GN8; (II) to stabilize the hydrophobic core, such as J1 and GJP49; (III) to stabilize the overall structure of PrP C by high binding affinity, as NPR-056. In addition, as indicated by the H-bond analysis and decomposition analysis of binding free energy, the residues N159 and Q160 play an important role in the specific binding of the studied compounds and all these compounds interact with PrP C in a similar way with the key interacting residues L130 in the β1 strand, P158, N159, Q160, etc. in the α1-β2 loop, and H187, T190, T191, etc. in the α2 C-terminus although the compounds have large structural difference. As a whole, our obtained results can provide some insights into the specific binding mechanism of main antiprion compounds to the "hot spot" region of PrP C at the molecular level and also provide guidance for effective antiprion drug design in the future.

Spectrum-effect relationship between HPLC fingerprints and hypolipidemic effect of Curcuma aromatica.

PubMed

Liu, Meiqiong; Wu, Youjiao; Huang, Shushi; Liu, Huagang; Feng, Jie

2018-02-23

Curcuma aromatica is used as a traditional Chinese medicine, and it is mainly distributed in Guangxi, China. In this study, 10 batches of C. aromatica were collected from different origins in Guangxi. The fingerprints were established by HPLC technique to investigate the quality stability of C. aromatica. The spectrum-effect relationship between HPLC fingerprints and hypolipidemic effect of C. aromatica was assessed by similarity analysis, gray relational analysis and multiple linear regression analysis. From the results, the similarity values between each batch of C. aromatica and reference fingerprint were >0.880, indicating the good quality stability of the 10 batches of C. aromatica. Twenty common peaks were selected as the fingerprints to evaluate the quality and hypolipidemic effect of C. aromatica. The results of spectrum-effect relationship showed that peaks 10, 18, 13, 15 and 17 in the fingerprints were closely related to hypolipidemic effect. This study successfully established the spectrum-effect relationship between HPLC fingerprints and hypolipidemic effect of C. aromatica, which provided methods for quality control and more effectively studies on bioactive compounds of C. aromatica. It could also provide a new simple and effective method for utilizing the fingerprints to optimize the Chinese prescription and develop traditional Chinese medicine. Copyright © 2018 John Wiley & Sons, Ltd.

Role of Endogenous and Exogenous Tocopherols in the Lipid Stability of Marine Oil Systems: A Review

PubMed Central

Suárez-Jiménez, Guadalupe Miroslava; López-Saiz, Carmen María; Ramírez-Guerra, Hugo Enrique; Ezquerra-Brauer, Josafat Marina; Ruiz-Cruz, Saul; Torres-Arreola, Wilfrido

2016-01-01

In marine organisms primarily intended for human consumption, the quality of the muscle and the extracted oils may be affected by lipid oxidation during storage, even at low temperatures. This has led to a search for alternatives to maintain quality. In this sense, antioxidant compounds have been used to prevent such lipid deterioration. Among the most used compounds are tocopherols, which, due to their natural origin, have become an excellent alternative to prevent or retard lipid oxidation and maintain the quality of marine products. Tocopherols as antioxidants have been studied both exogenously and endogenously. Exogenous tocopherols are often used by incorporating them into plastic packaging films or adding them directly to fish oil. It has been observed that exogenous tocopherols incorporated in low concentrations maintain the quality of both muscle and the extracted oils during food storage. However, it has been reported that tocopherols applied at higher concentrations act as a prooxidant molecule, probably because their reactions with singlet oxygen may generate free radicals and cause the oxidation of polyunsaturated fatty acids in fish oils. However, when tocopherols are included in a fish diet (endogenous tocopherols), the antioxidant effect on the muscle lipids is more effective due to their incorporation into the membrane lipids, which can help extend the shelf life of seafood by reducing the lipid deterioration that occurs due to antioxidant synergy with other phenolic compounds used supplements in fish muscle. This review focuses on the most important studies in this field and highlights the potential of using tocopherols as antioxidants in marine oils. PMID:27886145

Role of Endogenous and Exogenous Tocopherols in the Lipid Stability of Marine Oil Systems: A Review.

PubMed

Suárez-Jiménez, Guadalupe Miroslava; López-Saiz, Carmen María; Ramírez-Guerra, Hugo Enrique; Ezquerra-Brauer, Josafat Marina; Ruiz-Cruz, Saul; Torres-Arreola, Wilfrido

2016-11-24

In marine organisms primarily intended for human consumption, the quality of the muscle and the extracted oils may be affected by lipid oxidation during storage, even at low temperatures. This has led to a search for alternatives to maintain quality. In this sense, antioxidant compounds have been used to prevent such lipid deterioration. Among the most used compounds are tocopherols, which, due to their natural origin, have become an excellent alternative to prevent or retard lipid oxidation and maintain the quality of marine products. Tocopherols as antioxidants have been studied both exogenously and endogenously. Exogenous tocopherols are often used by incorporating them into plastic packaging films or adding them directly to fish oil. It has been observed that exogenous tocopherols incorporated in low concentrations maintain the quality of both muscle and the extracted oils during food storage. However, it has been reported that tocopherols applied at higher concentrations act as a prooxidant molecule, probably because their reactions with singlet oxygen may generate free radicals and cause the oxidation of polyunsaturated fatty acids in fish oils. However, when tocopherols are included in a fish diet (endogenous tocopherols), the antioxidant effect on the muscle lipids is more effective due to their incorporation into the membrane lipids, which can help extend the shelf life of seafood by reducing the lipid deterioration that occurs due to antioxidant synergy with other phenolic compounds used supplements in fish muscle. This review focuses on the most important studies in this field and highlights the potential of using tocopherols as antioxidants in marine oils.

Setting Up Decision-Making Tools toward a Quality-Oriented Participatory Maize Breeding Program

PubMed Central

Alves, Mara L.; Brites, Cláudia; Paulo, Manuel; Carbas, Bruna; Belo, Maria; Mendes-Moreira, Pedro M. R.; Brites, Carla; Bronze, Maria do Rosário; Gunjača, Jerko; Šatović, Zlatko; Vaz Patto, Maria C.

2017-01-01

Previous studies have reported promising differences in the quality of kernels from farmers' maize populations collected in a Portuguese region known to produce maize-based bread. However, several limitations have been identified in the previous characterizations of those populations, such as a limited set of quality traits accessed and a missing accurate agronomic performance evaluation. The objectives of this study were to perform a more detailed quality characterization of Portuguese farmers' maize populations; to estimate their agronomic performance in a broader range of environments; and to integrate quality, agronomic, and molecular data in the setting up of decision-making tools for the establishment of a quality-oriented participatory maize breeding program. Sixteen farmers' maize populations, together with 10 other maize populations chosen for comparison purposes, were multiplied in a common-garden experiment for quality evaluation. Flour obtained from each population was used to study kernel composition (protein, fat, fiber), flour's pasting behavior, and bioactive compound levels (carotenoids, tocopherols, phenolic compounds). These maize populations were evaluated for grain yield and ear weight in nine locations across Portugal; the populations' adaptability and stability were evaluated using additive main effects and multiplication interaction (AMMI) model analysis. The phenotypic characterization of each population was complemented with a molecular characterization, in which 30 individuals per population were genotyped with 20 microsatellites. Almost all farmers' populations were clustered into the same quality-group characterized by high levels of protein and fiber, low levels of carotenoids, volatile aldehydes, α- and δ-tocopherols, and breakdown viscosity. Within this quality-group, variability on particular quality traits (color and some bioactive compounds) could still be found. Regarding the agronomic performance, farmers' maize populations had low, but considerably stable, grain yields across the tested environments. As for their genetic diversity, each farmers' population was genetically heterogeneous; nonetheless, all farmers' populations were distinct from each other's. In conclusion, and taking into consideration different quality improvement objectives, the integration of the data generated within this study allowed the outline and exploration of alternative directions for future breeding activities. As a consequence, more informed choices will optimize the use of the resources available and improve the efficiency of participatory breeding activities. PMID:29312428

Mechanism of Stabilization of Labile Compounds by Silk Fibroin Proteins

DTIC Science & Technology

2017-04-05

AFRL-AFOSR-VA-TR-2017-0076 Mechanism of Stabilization of Labile Compounds by Silk Fibroin Proteins David Kaplan TRUSTEES OF TUFTS COLEGE INC 169... Proteins 5a.  CONTRACT NUMBER 5b.  GRANT NUMBER FA9550-14-1-0015 5c.  PROGRAM ELEMENT NUMBER 61102F 6. AUTHOR(S) David Kaplan 5d.  PROJECT NUMBER 5e...objective of this research was to elucidate the fundamental mechanisms by which labile compounds are entrapped and stabilized by silk fibroin protein . The

Quality properties of fruits as affected by drying operation.

PubMed

Omolola, Adewale O; Jideani, Afam I O; Kapila, Patrick F

2017-01-02

The increasing consumption of dried fruits requires further attention on the quality parameters. Drying has become necessary because most fruits are highly perishable owing to their high moisture content and the need to make them available all year round and at locations where they are not produced. In addition to preservation, the reduced weight and bulk of dehydrated products decreases packaging, handling and transportation costs. Quality changes associated with drying of fruit products include physical, sensory, nutritional, and microbiological. Drying gives rise to low or moderate glycemic index (GI) products with high calorie, vitamin and mineral contents. This review examines the nutritional benefits of dried fruits, protective compounds present in dried fruits, GI, overview of some fruit drying methods and effects of drying operations on the quality properties such as shrinkage, porosity, texture, color, rehydration, effective moisture diffusivity, nutritional, sensory, microbiological and shelf stability of fruits.

The Stability of Bioactive Compounds in Spaceflight Foods

NASA Technical Reports Server (NTRS)

Cooper, M. R.; Douglas, G. L.

2017-01-01

The status and stability of bioactive compounds in the processed and shelf-stable spaceflight food system have not previously been investigated though the presence of such compounds in aged space foods could have health significance for crews on long duration exploration missions. Over forty foods - either existing International Space Station (ISS) food provisioning items, newly developed foods for spaceflight, or commercially-available ready-to-eat foods - that were predicted to have a relatively high concentrations of one or more bioactive compounds (lycopene, lutein, omega-3 fatty acids, phenolics, sterols, and/or flavonoids) were selected for the study. Food samples were sent overnight to the Food Composition Laboratory of the Linus Pauling Institute at Oregon State University (Corvallis, OR) for bioactive compound analysis. Three packages of each product were blended together for the analysis to reduce package-to-package variability. All ISS food items and commercial foods were analyzed initially and after 12 and 24 months of 21degC storage. Food development occurred in a staggered fashion, so data collection for the newly developed foods continues. Lastly, sensory evaluation and additional temperature storage data (4degC, 35degC) for select foods were collected to establish additional stability parameters. Efficacious concentrations of lycopene, lutein, and omega-3 fatty acids were measured in limited spaceflight foods; two grams of sterols a day may be difficult to achieve with the current space diet. Total polyphenol delivery appears stable and adequate, but individual phenolic compounds vary in stability and were not specifically evaluated in this study. The data suggests that some bioactive compounds, like lycopene and lutein, degrade and then plateau at some equilibrium concentration. The anthocyanin stability appears to be related to storage temperature and food matrix, and lutein stability in leafy vegetables may be impacted by storage temperature. Because of the limited number of foods with high concentrations of the bioactive compounds, additional menu variety, formulation optimization, and reduced temperature storage will be required to ensure delivery of several bioactive compounds in the space food system. Validation of stability to five years will enable provisioning of these functional foods within the space food system for a mission to Mars.

Synergistic effect of high and low molecular weight molecules in the foamability and foam stability of sparkling wines.

PubMed

Coelho, Elisabete; Reis, Ana; Domingues, M Rosário M; Rocha, Sílvia M; Coimbra, Manuel A

2011-04-13

The foam of sparkling wines is a key parameter of their quality. However, the compounds that are directly involved in foam formation and stabilization are not yet completely established. In this work, seven sparkling wines were produced in Bairrada appellation (Portugal) under different conditions and their foaming properties evaluated using a Mosalux-based device. Fractionation of the sparkling wines into four independent fractions, (1) high molecular weight material, with molecular weight higher than 12 kDa (HMW), (2) hydrophilic material with molecular weigh between 1 and 12 kDa (AqIMW), (3) hydrophobic material with molecular weigh between 1 and 12 kDa (MeIMW), and (4) hydrophobic material with a molecular weight lower than 1 kDa (MeLMW), allowed the observation that the wines presenting the lower foam stability were those that presented lower amounts of the MeLMW fraction. The fraction that presented the best foam stability was HMW. When HMW is combined with MeLMW fraction, the foam stability largely increased. This increase was even larger, approaching the foam stability of the sparkling wine, when HMW was combined with the less hydrophobic subfraction of MeLMW (fraction 3). Electrospray tandem mass spectrometry (ESI-MS/MS) of fraction 3 allowed the assignment of polyethylene glycol oligomers (n = 5-11) and diethylene glycol 8-hydroxytridecanoate glyceryl acetate. To observe if these molecules occur in sparkling wine foam, the MeLMW was recovered directly from the sparkling wine foam and was also analyzed by ESI-MS/MS. The presence of monoacylglycerols of palmitic and stearic acids, as well as four glycerylethylene glycol fatty acid derivatives, was observed. These surface active compounds are preferentially partitioned by the sparkling wine foam rather than the liquid phase, allowing the inference of their role as key components in the promotion and stabilization of sparkling wine foam.

Evaluation of protective effect of different dietary fibers on polyphenolic profile stability of maqui berry (Aristotelia chilensis (Molina) Stuntz) during in vitro gastrointestinal digestion.

PubMed

Viuda-Martos, Manuel; Lucas-Gonzalez, Raquel; Ballester-Costa, Carmen; Pérez-Álvarez, José A; Muñoz, Loreto A; Fernández-López, Juana

2018-01-24

The aim of this work was to determine the protective effect of different dietary fibers on (i) the recovery and bioaccessibility indexes, and (ii) the stability of polyphenolic compounds (phenolic acids, flavonoids and anthocyanins) of maqui berry powder subjected to in vitro gastrointestinal digestion (GID). The extracts obtained in each phase (oral, gastric and intestinal) of GID were used to analyze the stability of polyphenolic compounds by HPLC, and the bioaccessibility of these compounds was also determined. At the end of the GID process, the mixture of maqui berry with the different fibers increased the bioaccessibility index of the phenolic and flavonoid compounds in all cases. The results obtained suggest that the anthocyanins and phenolic acids and flavonoid compounds present in maqui are stabilized through dietary fiber interactions, which might provide sufficient levels for absorption during gastrointestinal digestion. The gums sodium carboxymethyl cellulose, xanthan gum and guar gum provided the best protective effect.

Development and validation of a stability-indicating RP-HPLC-FLD method for determination of 5-[(4-chlorophenoxy) methyl]-1, 3, 4-oxadiazole-2-thiol; A novel drug candidate.

PubMed

Shehzadi, Naureen; Hussain, Khalid; Islam, Muhammad; Bukhari, Nadeem Irfan; Asif, Noman; Khan, Muhammad Tanveer; Salman, Muhammad; Qamar, Shaista; Parveen, Sajida; Zahid, Fakhra; Shah, Arshad Ali; Bilal, Abida; Abbasi, Muhammad Athar; Siddiqui, Sabahat Zahra; Rehman, Azizur

2018-03-01

The present study describes the development and validation of a simple high performance liquid chromatographic method for the determination of a novel drug candidate, 5-[(4-chlorophenoxy) methyl]-1, 3, 4-oxadiazole-2-thiol. The stability-indicating capacity of the method was evaluated by subjecting the compound's solution to hydrolytic, oxidative, photolytic, transition metal- and thermal- stress. The chromatographic separation was achieved over a C18 column (Promosil, 5 µm, 4.60 × 250 mm), maintained at 25°C, using an isocratic mobile phase comprising a mixture of acetonitrile and acidified water of pH 2.67 (1:1, v/v), at a flow rate of 1.00 mL/min and detection using a fluorescent light detector (excitation at 250 nm and emission at 410 nm). The Beer's law was followed over the concentration range 2.50-50.00 μg/ml. The recovery (98.56-100.19%, SD <5%), intraday accuracy and precision (97.31-100.81%, RSD <5%), inter-day accuracy and precision (97.50-100.75%, RSD <5%) and intermediate accuracy and precision (98.10-99.91%, RSD <5%) indicated that the method was reliable, repeatable, reproducible and rugged. The resolution and selectivity factors of the compound's peak from the nearest resolving peak, particularly in case of dry heat and copper metal stress, were found to be greater than 2 and 1, respectively, which indicated specificity and selectivity. The compound was extensively decomposed in alkaline-hydrolytic, oxidative, metal- and dry heat- stress. However, the compound in acidic and neutral conditions was resistant to photolysis. The results of the present study indicate that the developed method is specific, selective, sensitive and suitable, hence, may be used for quality control, stability testing and preformulation studies.

Evaluating the quality of feed fats and oils and their effects on pig growth performance.

PubMed

Shurson, Gerald C; Kerr, Brian J; Hanson, Andrea R

2015-01-01

Feed fats and oils provide significant amounts of energy to swine diets, but there is large variation in composition, quality, feeding value, and price among sources. Common measures of lipid quality include moisture, insolubles, and unsaponifiables (MIU), titer, and free fatty acid content, but provide limited information regarding their feeding value. Lipid peroxidation is an important quality factor related to animal growth performance and health, but maximum tolerable limits in various lipids have not been established. Several indicative assays can be used to detect the presence of various peroxidation compounds, but due to the complexity and numerous compounds produced and degraded during peroxidation process, no single method can adequately determine the extent of peroxidation. Until further information is available, using a combination of peroxide value, thiobarbituric acid reactive substances (TBARS), and anisidine value appear to provide a reasonable assessment of the extent of peroxidation in a lipid at a reasonable cost. However, fatty acid composition of the lipid being evaluated should be considered when selecting specific assays. Predictive tests can also be used to estimate the stability or susceptibility of lipids to peroxidation and include active oxygen method, oil stability index, and oxygen bomb method. A review of 16 published studies with pigs has shown an average decrease of 11.4% in growth rate, 8.8% feed intake fed isocaloric diets containing peroxidized lipids compared to diets containing unperoxidized lipids of the same source. Furthermore, serum vitamin E content was generally reduced and serum TBARS content was increased when peroxidized lipids were fed in these studies, suggesting that feeding peroxidized lipids negatively affects metabolic oxidative status of pigs. However, it is unclear if antioxidants are useful additions to lipids to maintain optimal nutritional value, or if their addition to swine diets is beneficial in overcoming a metabolic oxidative challenge.

[Stability of physical state on compound hawthorn dropping pills].

PubMed

Zhang, Wei; Chen, Hong-Yan; Jiang, Jian-Lan

2008-11-01

To evaluate the stability of physical state with accelerate test and dropping in process before and after on compound hawthorn dropping pills. Scanning electron microscope, TG-DTA, FT-IR and XRD were used. The active components presented amorphous, tiny crystal and molecular state in dropping pills, and it had no obvious reaction between PEG 4000 and active components. With time prolonging, a little of active components changed from amorphous state to tiny crystal or molecular state. Solid dispersion improved the stability and dissolution of compound hawthorn dropping pills.

Uniaxially oriented polycrystalline thin films and air-stable n-type transistors based on donor-acceptor semiconductor (diC8BTBT)(FnTCNQ) [n = 0, 2, 4

NASA Astrophysics Data System (ADS)

Shibata, Yosei; Tsutsumi, Jun'ya; Matsuoka, Satoshi; Matsubara, Koji; Yoshida, Yuji; Chikamatsu, Masayuki; Hasegawa, Tatsuo

2015-04-01

We report the fabrication of high quality thin films for semiconducting organic donor-acceptor charge-transfer (CT) compounds, (diC8BTBT)(FnTCNQ) (diC8BTBT = 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene and FnTCNQ [n = 0,2,4] = fluorinated derivatives of 7,7,8,8,-tetracyanoquinodimethane), which have a high degree of layered crystallinity. Single-phase and uniaxially oriented polycrystalline thin films of the compounds were obtained by co-evaporation of the component donor and acceptor molecules. Organic thin-film transistors (OTFTs) fabricated with the compound films exhibited n-type field-effect characteristics, showing a mobility of 6.9 × 10-2 cm2/V s, an on/off ratio of 106, a sub-threshold swing of 0.8 V/dec, and an excellent stability in air. We discuss the suitability of strong intermolecular donor-acceptor interaction and the narrow CT gap nature in compounds for stable n-type OTFT operation.

Microbial Fuels Cell-Based Biosensor for Toxicity Detection: A Review

PubMed Central

Zhou, Tuoyu; Han, Huawen; Liu, Pu; Xiong, Jian; Tian, Fake; Li, Xiangkai

2017-01-01

With the unprecedented deterioration of environmental quality, rapid recognition of toxic compounds is paramount for performing in situ real-time monitoring. Although several analytical techniques based on electrochemistry or biosensors have been developed for the detection of toxic compounds, most of them are time-consuming, inaccurate, or cumbersome for practical applications. More recently, microbial fuel cell (MFC)-based biosensors have drawn increasing interest due to their sustainability and cost-effectiveness, with applications ranging from the monitoring of anaerobic digestion process parameters (VFA) to water quality detection (e.g., COD, BOD). When a MFC runs under correct conditions, the voltage generated is correlated with the amount of a given substrate. Based on this linear relationship, several studies have demonstrated that MFC-based biosensors could detect heavy metals such as copper, chromium, or zinc, as well as organic compounds, including p-nitrophenol (PNP), formaldehyde and levofloxacin. Both bacterial consortia and single strains can be used to develop MFC-based biosensors. Biosensors with single strains show several advantages over systems integrating bacterial consortia, such as selectivity and stability. One of the limitations of such sensors is that the detection range usually exceeds the actual pollution level. Therefore, improving their sensitivity is the most important for widespread application. Nonetheless, MFC-based biosensors represent a promising approach towards single pollutant detection. PMID:28956857

Microbial Fuels Cell-Based Biosensor for Toxicity Detection: A Review.

PubMed

Zhou, Tuoyu; Han, Huawen; Liu, Pu; Xiong, Jian; Tian, Fake; Li, Xiangkai

2017-09-28

With the unprecedented deterioration of environmental quality, rapid recognition of toxic compounds is paramount for performing in situ real-time monitoring. Although several analytical techniques based on electrochemistry or biosensors have been developed for the detection of toxic compounds, most of them are time-consuming, inaccurate, or cumbersome for practical applications. More recently, microbial fuel cell (MFC)-based biosensors have drawn increasing interest due to their sustainability and cost-effectiveness, with applications ranging from the monitoring of anaerobic digestion process parameters (VFA) to water quality detection (e.g., COD, BOD). When a MFC runs under correct conditions, the voltage generated is correlated with the amount of a given substrate. Based on this linear relationship, several studies have demonstrated that MFC-based biosensors could detect heavy metals such as copper, chromium, or zinc, as well as organic compounds, including p -nitrophenol (PNP), formaldehyde and levofloxacin. Both bacterial consortia and single strains can be used to develop MFC-based biosensors. Biosensors with single strains show several advantages over systems integrating bacterial consortia, such as selectivity and stability. One of the limitations of such sensors is that the detection range usually exceeds the actual pollution level. Therefore, improving their sensitivity is the most important for widespread application. Nonetheless, MFC-based biosensors represent a promising approach towards single pollutant detection.

Analysis of volatile organic compounds in compost samples: A potential tool to determine appropriate composting time.

PubMed

Zhu, Fengxiang; Pan, Zaifa; Hong, Chunlai; Wang, Weiping; Chen, Xiaoyang; Xue, Zhiyong; Yao, Yanlai

2016-12-01

Changes in volatile organic compound contents in compost samples during pig manure composting were studied using a headspace, solid-phase micro-extraction method (HS-SPME) followed by gas chromatography with mass spectrometric detection (GC/MS). Parameters affecting the SPME procedure were optimized as follows: the coating was carbon molecular sieve/polydimethylsiloxane (CAR/PDMS) fiber, the temperature was 60°C and the time was 30min. Under these conditions, 87 compounds were identified from 17 composting samples. Most of the volatile components could only be detected before day 22. However, benzenes, alkanes and alkenes increased and eventually stabilized after day 22. Phenol and acid substances, which are important factors for compost quality, were almost undetectable on day 39 in natural compost (NC) samples and on day 13 in maggot-treated compost (MC) samples. Our results indicate that the approach can be effectively used to determine the composting times by analysis of volatile substances in compost samples. An appropriate composting time not only ensures the quality of compost and reduces the loss of composting material but also reduces the generation of hazardous substances. The appropriate composting times for MC and NC were approximately 22days and 40days, respectively, during the summer in Zhejiang. Copyright © 2016 Elsevier Ltd. All rights reserved.

Quantitative determination of multi markers in five varieties of Withania somnifera using ultra-high performance liquid chromatography with hybrid triple quadrupole linear ion trap mass spectrometer combined with multivariate analysis: Application to pharmaceutical dosage forms.

PubMed

Chandra, Preeti; Kannujia, Rekha; Saxena, Ankita; Srivastava, Mukesh; Bahadur, Lal; Pal, Mahesh; Singh, Bhim Pratap; Kumar Ojha, Sanjeev; Kumar, Brijesh

2016-09-10

An ultra-high performance liquid chromatography electrospray ionization tandem mass spectrometry method has been developed and validated for simultaneous quantification of six major bioactive compounds in five varieties of Withania somnifera in various plant parts (leaf, stem and root). The analysis was accomplished on Waters ACQUITY UPLC BEH C18 column with linear gradient elution of water/formic acid (0.1%) and acetonitrile at a flow rate of 0.3mLmin(-1). The proposed method was validated with acceptable linearity (r(2), 0.9989-0.9998), precision (RSD, 0.16-2.01%), stability (RSD, 1.04-1.62%) and recovery (RSD ≤2.45%), under optimum conditions. The method was also successfully applied for the simultaneous determination of six marker compounds in twenty-six marketed formulations. Hierarchical cluster analysis and principal component analysis were applied to discriminate these twenty-six batches based on characteristics of the bioactive compounds. The results indicated that this method is advance, rapid, sensitive and suitable to reveal the quality of Withania somnifera and also capable of performing quality evaluation of polyherbal formulations having similar markers/raw herbs. Copyright © 2016 Elsevier B.V. All rights reserved.

New coordination compounds of Cr(III) used in leather tanning

NASA Astrophysics Data System (ADS)

Crudu, Marian; Sibiescu, Doina; Rosca, Ioan; Sutiman, Daniel; Vizitiu, Mihaela; Apostolescu, Gabriela

2009-01-01

Some new coordination compounds of Cr(III) using as ligand N-hydroxy - succinimide, were obtained and studied. The combination ratio, central atom: ligand were 1:1; 1:2 and 1:3. The new complex compounds were studied using UV-Vis spectroscopy, conductance and pH measurements. The studies of obtaining and of stability of the new compounds were accomplished in aqueous solutions using methods characteristic for coordination compounds: conductance and pH measurements. The combination ratios and the stability constants were determined with methods characteristic for studies in solutions.

Neuroleptics as therapeutic compounds stabilizing neuromuscular transmission in amyotrophic lateral sclerosis

PubMed Central

Patten, Shunmoogum A.; Aggad, Dina; Martinez, Jose; Tremblay, Elsa; Petrillo, Janet; Armstrong, Gary A.B.; Maios, Claudia; Liao, Meijiang; Ciura, Sorana; Wen, Xiao-Yan; Rafuse, Victor; Ichida, Justin; Zinman, Lorne; Julien, Jean-Pierre; Kabashi, Edor; Robitaille, Richard; Korngut, Lawrence; Parker, J. Alexander

2017-01-01

Amyotrophic lateral sclerosis (ALS) is a rapidly progressing, fatal disorder with no effective treatment. We used simple genetic models of ALS to screen phenotypically for potential therapeutic compounds. We screened libraries of compounds in C. elegans, validated hits in zebrafish, and tested the most potent molecule in mice and in a small clinical trial. We identified a class of neuroleptics that restored motility in C. elegans and in zebrafish, and the most potent was pimozide, which blocked T-type Ca2+ channels in these simple models and stabilized neuromuscular transmission in zebrafish and enhanced it in mice. Finally, a short randomized controlled trial of sporadic ALS subjects demonstrated stabilization of motility and evidence of target engagement at the neuromuscular junction. Simple genetic models are, thus, useful in identifying promising compounds for the treatment of ALS, such as neuroleptics, which may stabilize neuromuscular transmission and prolong survival in this disease. PMID:29202456

Neuroleptics as therapeutic compounds stabilizing neuromuscular transmission in amyotrophic lateral sclerosis.

PubMed

Patten, Shunmoogum A; Aggad, Dina; Martinez, Jose; Tremblay, Elsa; Petrillo, Janet; Armstrong, Gary Ab; La Fontaine, Alexandre; Maios, Claudia; Liao, Meijiang; Ciura, Sorana; Wen, Xiao-Yan; Rafuse, Victor; Ichida, Justin; Zinman, Lorne; Julien, Jean-Pierre; Kabashi, Edor; Robitaille, Richard; Korngut, Lawrence; Parker, J Alexander; Drapeau, Pierre

2017-11-16

Amyotrophic lateral sclerosis (ALS) is a rapidly progressing, fatal disorder with no effective treatment. We used simple genetic models of ALS to screen phenotypically for potential therapeutic compounds. We screened libraries of compounds in C. elegans, validated hits in zebrafish, and tested the most potent molecule in mice and in a small clinical trial. We identified a class of neuroleptics that restored motility in C. elegans and in zebrafish, and the most potent was pimozide, which blocked T-type Ca2+ channels in these simple models and stabilized neuromuscular transmission in zebrafish and enhanced it in mice. Finally, a short randomized controlled trial of sporadic ALS subjects demonstrated stabilization of motility and evidence of target engagement at the neuromuscular junction. Simple genetic models are, thus, useful in identifying promising compounds for the treatment of ALS, such as neuroleptics, which may stabilize neuromuscular transmission and prolong survival in this disease.

Hammerhead ribozyme activity and oligonucleotide duplex stability in mixed solutions of water and organic compounds

PubMed Central

Nakano, Shu-ichi; Kitagawa, Yuichi; Miyoshi, Daisuke; Sugimoto, Naoki

2014-01-01

Nucleic acids are useful for biomedical targeting and sensing applications in which the molecular environment is different from that of a dilute aqueous solution. In this study, the influence of various types of mixed solutions of water and water-soluble organic compounds on RNA was investigated by measuring the catalytic activity of the hammerhead ribozyme and the thermodynamic stability of an oligonucleotide duplex. The compounds with a net neutral charge, such as poly(ethylene glycol), small primary alcohols, amide compounds, and aprotic solvent molecules, added at high concentrations changed the ribozyme-catalyzed RNA cleavage rate, with the magnitude of the effect dependent on the NaCl concentration. These compounds also changed the thermodynamic stability of RNA base pairs of an oligonucleotide duplex and its dependence on the NaCl concentration. Specific interactions with RNA molecules and reduced water activity could account for the inhibiting effects on the ribozyme catalysis and destabilizing effects on the duplex stability. The salt concentration dependence data correlated with the dielectric constant, but not with water activity, viscosity, and the size of organic compounds. This observation suggests the significance of the dielectric constant effects on the RNA reactions under molecular crowding conditions created by organic compounds. PMID:25161873

High perfomance liquid chromatography fingerprint analysis for quality control of brotowali (Tinospora crispa)

NASA Astrophysics Data System (ADS)

Syarifah, V. B.; Rafi, M.; Wahyuni, W. T.

2017-05-01

Brotowali (Tinospora crispa) is widely used in Indonesia as ingredient of herbal medicine formulation. To ensure the quality, safety, and efficacy of herbal medicine products, its chemical constituents should be continuously evaluated. High performance liquid chromatography (HPLC) fingerprint is one of powerful technique for this quality control process. In this study, HPLC fingerprint analysis method was developed for quality control of brotowali. HPLC analysis was performed in C18 column and detection was performed using photodiode array detector. The optimum mobile phase for brotowali fingerprint was acetonitrile (ACN) and 0.1% formic acid in gradient elution mode at a flow rate of 1 mL/min. The number of peaks detected in HPLC fingerprint of brotowali was 32 peaks and 23 peaks for stems and leaves, respectively. Berberine as marker compound was detected at retention time of 20.525 minutes. Evaluation of analytical performance including precision, reproducibility, and stability prove that this HPLC fingerprint analysis was reliable and could be applied for quality control of brotowali.

Predicting Mouse Liver Microsomal Stability with “Pruned” Machine Learning Models and Public Data

PubMed Central

Perryman, Alexander L.; Stratton, Thomas P.; Ekins, Sean; Freundlich, Joel S.

2015-01-01

Purpose Mouse efficacy studies are a critical hurdle to advance translational research of potential therapeutic compounds for many diseases. Although mouse liver microsomal (MLM) stability studies are not a perfect surrogate for in vivo studies of metabolic clearance, they are the initial model system used to assess metabolic stability. Consequently, we explored the development of machine learning models that can enhance the probability of identifying compounds possessing MLM stability. Methods Published assays on MLM half-life values were identified in PubChem, reformatted, and curated to create a training set with 894 unique small molecules. These data were used to construct machine learning models assessed with internal cross-validation, external tests with a published set of antitubercular compounds, and independent validation with an additional diverse set of 571 compounds (PubChem data on percent metabolism). Results “Pruning” out the moderately unstable/moderately stable compounds from the training set produced models with superior predictive power. Bayesian models displayed the best predictive power for identifying compounds with a half-life ≥1 hour. Conclusions Our results suggest the pruning strategy may be of general benefit to improve test set enrichment and provide machine learning models with enhanced predictive value for the MLM stability of small organic molecules. This study represents the most exhaustive study to date of using machine learning approaches with MLM data from public sources. PMID:26415647

Predicting Mouse Liver Microsomal Stability with "Pruned" Machine Learning Models and Public Data.

PubMed

Perryman, Alexander L; Stratton, Thomas P; Ekins, Sean; Freundlich, Joel S

2016-02-01

Mouse efficacy studies are a critical hurdle to advance translational research of potential therapeutic compounds for many diseases. Although mouse liver microsomal (MLM) stability studies are not a perfect surrogate for in vivo studies of metabolic clearance, they are the initial model system used to assess metabolic stability. Consequently, we explored the development of machine learning models that can enhance the probability of identifying compounds possessing MLM stability. Published assays on MLM half-life values were identified in PubChem, reformatted, and curated to create a training set with 894 unique small molecules. These data were used to construct machine learning models assessed with internal cross-validation, external tests with a published set of antitubercular compounds, and independent validation with an additional diverse set of 571 compounds (PubChem data on percent metabolism). "Pruning" out the moderately unstable / moderately stable compounds from the training set produced models with superior predictive power. Bayesian models displayed the best predictive power for identifying compounds with a half-life ≥1 h. Our results suggest the pruning strategy may be of general benefit to improve test set enrichment and provide machine learning models with enhanced predictive value for the MLM stability of small organic molecules. This study represents the most exhaustive study to date of using machine learning approaches with MLM data from public sources.

Structural basis for the enhanced stability of protein model compounds and peptide backbone unit in ammonium ionic liquids.

PubMed

Vasantha, T; Attri, Pankaj; Venkatesu, Pannuru; Devi, R S Rama

2012-10-04

Protein folding/unfolding is a fascinating study in the presence of cosolvents, which protect/disrupt the native structure of protein, respectively. The structure and stability of proteins and their functional groups may be modulated by the addition of cosolvents. Ionic liquids (ILs) are finding a vast array of applications as novel cosolvents for a wide variety of biochemical processes that include protein folding. Here, the systematic and quantitative apparent transfer free energies (ΔG'(tr)) of protein model compounds from water to ILs through solubility measurements as a function of IL concentration at 25 °C have been exploited to quantify and interpret biomolecular interactions between model compounds of glycine peptides (GPs) with ammonium based ILs. The investigated aqueous systems consist of zwitterionic glycine peptides: glycine (Gly), diglycine (Gly(2)), triglycine (Gly(3)), tetraglycine (Gly(4)), and cyclic glycylglycine (c(GG)) in the presence of six ILs such as diethylammonium acetate (DEAA), diethylammonium hydrogen sulfate (DEAS), triethylammonium acetate (TEAA), triethylammonium hydrogen sulfate (TEAS), triethylammonium dihydrogen phosphate (TEAP), and trimethylammonium acetate (TMAA). We have observed positive values of ΔG'(tr) for GPs from water to ILs, indicating that interactions between ILs and GPs are unfavorable, which leads to stabilization of the structure of model protein compounds. Moreover, our experimental data ΔG'(tr) is used to obtain transfer free energies (Δg'(tr)) of the peptide backbone unit (or glycyl unit) (-CH(2)C═ONH-), which is the most numerous group in globular proteins, from water to IL solutions. To obtain the mechanism events of the ILs' role in enhancing the stability of the model compounds, we have further obtained m-values for GPs from solubility limits. These results explicitly elucidate that all alkyl ammonium ILs act as stabilizers for model compounds through the exclusion of ILs from model compounds of proteins and also reflect the effect of alkyl chain on the stability of protein model compounds.

Phase stabilities of pyrite-related MTCh compounds (M=Ni, Pd, Pt; T=Si, Ge, Sn, Pb; Ch=S, Se, Te): A systematic DFT study

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

Bachhuber, Frederik; School of Chemical Sciences, University of Auckland, Private Bag 92019, Auckland; Krach, Alexander

2015-03-15

Pyrite-type and related systems appear for a wide range of binary and ternary combinations of transition metals and main group elements that form Zintl type dumbbell anion units. Those representatives with 20 valence electrons exhibit an extraordinary structural flexibility and interesting properties as low-gap semiconductors or thermoelectric and electrode materials. This work is devoted to the systematic exploration of novel compounds within the class of MTCh compounds (M=Ni, Pd, Pt; T=Si, Ge, Sn, Pb; Ch=S, Se, Te) by means of density functional calculations. Their preferred structures are predicted from an extended scheme of colored pyrites and marcasites. To determine theirmore » stabilities, competing binary MT{sub 2} and MCh{sub 2} boundary phases are taken into account as well as ternary M{sub 3}T{sub 2}Ch{sub 2} and M{sub 2}T{sub 3}Ch{sub 3} systems. Recently established stability diagrams are presented to account for MTCh ordering phenomena with a focus on a not-yet-reported ordering variant of the NiAs{sub 2} type. Due to the good agreement with experimental data available for several PtTCh systems, the predictions for the residual systems are considered sufficiently accurate. - Graphical abstract: Compositional and structural stability of MTCh compounds is investigated from first principle calculations. A conceptional approach is presented to study and predict novel stable and metastable compounds and structures of low gap semiconductors with TCh dumbbell units that are isoelectronic and structurally related to pyrite (FeS{sub 2}). - Highlights: • Study of compositional stability of MTCh vs. M{sub 3}T{sub 2}Ch{sub 2} and M{sub 2}T{sub 3}Ch{sub 3} compounds. • Study of structural stability of known and novel MTCh compounds. • Prediction of novel stable and metastable structures and compounds isoelectronic to pyrite, FeS{sub 2}.« less

Effect of high-hydrostatic pressure and moderate-intensity pulsed electric field on plum.

PubMed

García-Parra, J; González-Cebrino, F; Delgado-Adámez, J; Cava, R; Martín-Belloso, O; Élez-Martínez, P; Ramírez, R

2018-03-01

Moderate intensity pulse electric fields were applied in plum with the aim to increase bioactive compounds content of the fruit, while high-hydrostatic pressure was applied to preserve the purées. High-hydrostatic pressure treatment was compared with an equivalent thermal treatment. The addition of ascorbic acid during purée manufacture was also evaluated. The main objective of this study was to assess the effects on microorganisms, polyphenoloxidase, color and bioactive compounds of high-hydrostatic pressure, or thermal-processed plum purées made of moderate intensity pulse electric field-treated or no-moderate intensity pulse electric field-treated plums, after processing during storage. The application of moderate intensity pulse electric field to plums slightly increased the levels of anthocyanins and the antioxidant activity of purées. The application of Hydrostatic-high pressure (HHP) increased the levels of bioactive compounds in purées, while the thermal treatment preserved better the color during storage. The addition of ascorbic acid during the manufacture of plum purée was an important factor for the final quality of purées. The color and the bioactive compounds content were better preserved in purées with ascorbic acid. The no inactivation of polyphenoloxidase enzyme with treatments applied in this study affected the stability purées. Probably more intense treatments conditions (high-hydrostatic pressure and thermal treatment) would be necessary to reach better quality and shelf life during storage.

Performance characteristics of an automated gas chromatograph-ion trap mass spectrometer system used for the 1995 Southern Oxidants Study field investigation in Nashville, Tennessee

NASA Astrophysics Data System (ADS)

Daughtrey, E. Hunter; Adams, Jeffrey R.; Oliver, Karen D.; Kronmiller, Keith G.; McClenny, William A.

1998-09-01

A trailer-deployed automated gas chromatograph-mass spectrometer (autoGC-MS) system capable of making continuous hourly measurements was used to determine volatile organic compounds (VOCs) in ambient air at New Hendersonville, Tennessee, and Research Triangle Park, North Carolina, in 1995. The system configuration, including the autoGC-MS, trailer and transfer line, siting, and sampling plan and schedule, is described. The autoGC-MS system employs a pair of matched sorbent traps to allow simultaneous sampling and desorption. Desorption is followed by Stirling engine cryofocusing and subsequent GC separation and mass spectral identification and quantification. Quality control measurements described include evaluating precision and accuracy of replicate analyses of independently supplied audit and round-robin canisters and determining the completeness of the data sets taken in Tennessee. Data quality objectives for precision (±10%) and accuracy (±20%) of 10- to 20-ppbv audit canisters and a completeness of >75% data capture were met. Quality assurance measures used in reviewing the data set include retention time stability, calibration checks, frequency distribution checks, and checks of the mass spectra. Special procedures and tests were used to minimize sorbent trap artifacts, to verify the quality of a standard prepared in our laboratory, and to prove the integrity of the insulated, heated transfer line. A rigorous determination of total system blank concentration levels using humidified scientific air spiked with ozone allowed estimation of method detection limits, ranging from 0.01 to 1.0 ppb C, for most of the 100 target compounds, which were a composite list of the target compounds for the Photochemical Assessment Monitoring Station network, those for Environmental Protection Agency method TO-14, and selected oxygenated VOCs.

Simultaneous quantification of five major active components in capsules of the traditional Chinese medicine ‘Shu-Jin-Zhi-Tong’ by high performance liquid chromatography

PubMed Central

Yang, Xing-Xin; Zhang, Xiao-Xia; Chang, Rui-Miao; Wang, Yan-Wei; Li, Xiao-Ni

2011-01-01

A simple and reliable high performance liquid chromatography (HPLC) method has been developed for the simultaneous quantification of five major bioactive components in ‘Shu-Jin-Zhi-Tong’ capsules (SJZTC), for the purposes of quality control of this commonly prescribed traditional Chinese medicine. Under the optimum conditions, excellent separation was achieved, and the assay was fully validated in terms of linearity, precision, repeatability, stability and accuracy. The validated method was applied successfully to the determination of the five compounds in SJZTC samples from different production batches. The HPLC method can be used as a valid analytical method to evaluate the intrinsic quality of SJZTC. PMID:29403711

Compositional and functional dynamics of dried papaya as affected by storage time and packaging material.

PubMed

Udomkun, Patchimaporn; Nagle, Marcus; Argyropoulos, Dimitrios; Mahayothee, Busarakorn; Latif, Sajid; Müller, Joachim

2016-04-01

Papaya has been identified as a valuable source of nutrients and antioxidants, which are beneficial for human health. To preserve the nutritional properties after drying, appropriate storage specifications should be considered. This study aimed to investigate the quality and stability of air-dried papaya in terms of quality dynamics and behavior of bio-active compounds during storage for up to 9 months in two packaging materials: aluminum laminated polyethylene and polyamide/polyethylene. Samples with moisture content (MC) of 0.1328 g g(-1) and water activity (aw) of 0.5 were stored at 30 °C and relative humidity (RH) of 40-50%. The MC, aw, degree of browning (DB) and 5-hydroxymethylfurfural (HMF) content were found to notably increase as storage progressed. On the contrary, there was a significant decrease in antioxidant capacity (DPPH, FRAP and ABTS), total phenolic (TP) and ascorbic acid (AA) contents. Packaging in aluminum laminated polyethylene under ambient conditions was found to better preserve bio-active compounds and retard increases in MC, aw and DB, when compared to polyamide/polyethylene. Copyright © 2015 Elsevier Ltd. All rights reserved.

Stability of lipid encapsulated ferulic acid particles

USDA-ARS?s Scientific Manuscript database

Encapsulation of bioactive compounds by a solid lipid matrix provides stability and a mechanism for controlled release in formulated products. Phenolic compounds exhibit antioxidant and antimicrobial activities and have applications as functional food and feed additives. Ferulic acid, a common pheno...

Influence of in line monitored fluid bed granulation process parameters on the stability of Ethinylestradiol.

PubMed

Roßteuscher-Carl, Katrin; Fricke, Sabine; Hacker, Michael C; Schulz-Siegmund, Michaela

2015-12-30

Ethinylestradiol (EE) as a highly active and low dosed compound is prone to oxidative degradation. The stability of the drug substance is therefore a critical parameter that has to be considered during drug formulation. Beside the stability of the drug substance, granule particle size and moisture are critical quality attributes (CQA) of the fluid bed granulation process which influence the tableting ability of the resulting granules. Both CQA should therefore be monitored during the production process by process analytic technology (PAT) according to ICH Q8. This work focusses on the effects of drying conditions on the stability of EE in a fluid-bed granulation process. We quantified EE degradation products 6-alpha-hydroxy-EE, 6-beta-hydroxy-EE, 9(11)-dehydro-EE and 6-oxo-EE during long time storage and accelerated conditions. PAT-tools that monitor granule particle size (Spatial filtering technology) and granule moisture (Microwave resonance technology) were applied and compared with off-line methods. We found a relevant influence of residual granule moisture and thermic stress applied during granulation on the storage stability of EE, whereas no degradation was found immediately after processing. Hence we conclude that drying parameters have a relevant influence on long term EE stability. Copyright © 2015 Elsevier B.V. All rights reserved.

Biscuits fortified with micro-encapsulated shrimp oil: characteristics and storage stability.

PubMed

Takeungwongtrakul, Sirima; Benjakul, Soottawat

2017-04-01

Characteristics and storage stability of biscuits fortified with micro-encapsulated shrimp oil (MSO) were determined. The addition of MSO increased spread ratio, whilst decreased the thickness of biscuit. The highest hardness of biscuit was obtained with addition of 9 or 12% MSO. Biscuit surface showed higher redness and yellowness when MSO was incorporated ( p  < 0.05). The addition of MSO up to 6% had no adverse effect on biscuit quality and acceptability. When biscuits added with 6% MSO were stored under different illumination conditions (light and dark), lipid oxidation in all samples increased throughout the storage of 12 days. Light accelerated lipid oxidation of biscuits as evidenced by the increases in both peroxide values and abundance of volatile compounds. No marked change in EPA, DHA and astaxanthin contents were noticeable in biscuit fortified with MSO after 12 days of storage. Therefore, the biscuit could be fortified with MSO up to 6% and must be stored in dark to assure its oxidative stability.

Agonists and Antagonists of Protease-Activated Receptor 2 Discovered within a DNA-Encoded Chemical Library Using Mutational Stabilization of the Target.

PubMed

Brown, Dean G; Brown, Giles A; Centrella, Paolo; Certel, Kaan; Cooke, Robert M; Cuozzo, John W; Dekker, Niek; Dumelin, Christoph E; Ferguson, Andrew; Fiez-Vandal, Cédric; Geschwindner, Stefan; Guié, Marie-Aude; Habeshian, Sevan; Keefe, Anthony D; Schlenker, Oliver; Sigel, Eric A; Snijder, Arjan; Soutter, Holly T; Sundström, Linda; Troast, Dawn M; Wiggin, Giselle; Zhang, Jing; Zhang, Ying; Clark, Matthew A

2018-06-01

The discovery of ligands via affinity-mediated selection of DNA-encoded chemical libraries is driven by the quality and concentration of the protein target. G-protein-coupled receptors (GPCRs) and other membrane-bound targets can be difficult to isolate in their functional state and at high concentrations, and therefore have been challenging for affinity-mediated selection. Here, we report a successful selection campaign against protease-activated receptor 2 (PAR2). Using a thermo-stabilized mutant of PAR2, we conducted affinity selection using our >100-billion-compound DNA-encoded library. We observed a number of putative ligands enriched upon selection, and subsequent cellular profiling revealed these ligands to comprise both agonists and antagonists. The agonist series shared structural similarity with known agonists. The antagonists were shown to bind in a novel allosteric binding site on the PAR2 protein. This report serves to demonstrate that cell-free affinity selection against GPCRs can be achieved with mutant stabilized protein targets.

Characterization of Volatile Compounds with HS-SPME from Oxidized n-3 PUFA Rich Oils via Rancimat Tests.

PubMed

Yang, Kai-Min; Cheng, Ming-Ching; Chen, Chih-Wei; Tseng, Chin-Yin; Lin, Li-Yun; Chiang, Po-Yuan

2017-02-01

Algae oil and fish oil are n-3 PUFA mainstream commercial products. The various sources for the stability of n-3 PUFA oxidation are influenced by the fatty acid composition, extraction and refined processing. In this study, the oil stability index (OSI) occurs within 2.3 to 7.6 hours with three different n-3 PUFA rich oil. To set the OSI in the Rancimat test as the oil stability limit and observed various degrees of oxidation (0, 25, 50, 75, 100 and 125%). The volatile oxidation compounds were analyzed via headspace-solid phase microextraction (HS-SPME) and GC/MS. We detected 51 volatile compound variations during the oxidation, which were composed of aldehydes, hydrocarbons, cyclic compounds, alcohols, benzene compounds, ketones, furans, ester and pyrrolidine. The off-flavor characteristics can be strongly influenced by the synergy effects of volatile oxidation compounds. Chemometric analysis (PCA and AHC) was applied to identify the sensitive oxidation marker compounds, which included a (E,E)-2,4-heptadienal appropriate marker, via lipid oxidation in the n-3 PUFA rich oil.

EVALUATION USING AN ORGANOPHILIC CLAY TO CHEMICALLY STABILIZE WASTE CONTAINING ORGANIC COMPOUNDS

EPA Science Inventory

A modified clay (organophilic) was utilized to evaluate the potential for chemically stabilizing a waste containing organic compounds. hemical bonding between the binder and the contaminants was indicated. eachate testing also indicated strong binding. Copy available at NTIS as ...

Quality evaluation and pattern recognition analyses of marker compounds from five medicinal drugs of Rutaceae family by HPLC/PDA.

PubMed

Zhao, Bing Tian; Kim, Eun Jung; Son, Kun Ho; Son, Jong Keun; Min, Byung Sun; Woo, Mi Hee

2015-08-01

To establish a standard of quality control and to identify different origins for the Rutaceae family [Citri Unshiu Peel (CU), Citri Unshiu Immature Peel (CI), Ponciri Immature Fructus (PI), Aurantii Immature Fructus (AI), and Aurantii Fructus (AU)], 13 standards including rutin (1), narirutin (2), naringin (3), hesperidin (4), neohesperidin (5), neoponcirin (6), poncirin (7), naringenin (8), isosinensetin (9), sinensetin (10), nobiletin (11), heptamethoxyflavone (12), and tangeretin (13) were determined by high performance liquid chromatography (HPLC)/photo-diode array (PDA) analysis. A YMC ODS C18 (250 × 4.6 mm, 5 µm) column was used and the ratio of mobile phases of water (A) and acetonitrile (B) delivered to the column for gradient elution was applied. This method was fully validated with respect to linearity, accuracy, precision, stability, and robustness. The HPLC/PDA method was applied successfully to quantify 13 major compounds in the extracts of CU, CI, PI, AI, and AU. The pattern recognition analysis combined with LC chromatographic data was performed by repeated analysis of 27 reference samples in the above five Rutaceae oriental medicinal drugs. The established HPLC method was rapid and reliable for quantitative analysis and quality control of multiple components in five Rutaceae species with different origins.

Benefits of polidocanol endovenous microfoam (Varithena®) compared with physician-compounded foams

PubMed Central

Carugo, Dario; Ankrett, Dyan N; Zhao, Xuefeng; Zhang, Xunli; Hill, Martyn; O’Byrne, Vincent; Hoad, James; Arif, Mehreen; Wright, David DI

2015-01-01

Objective To compare foam bubble size and bubble size distribution, stability, and degradation rate of commercially available polidocanol endovenous microfoam (Varithena®) and physician-compounded foams using a number of laboratory tests. Methods Foam properties of polidocanol endovenous microfoam and physician-compounded foams were measured and compared using a glass-plate method and a Sympatec QICPIC image analysis method to measure bubble size and bubble size distribution, Turbiscan™ LAB for foam half time and drainage and a novel biomimetic vein model to measure foam stability. Physician-compounded foams composed of polidocanol and room air, CO2, or mixtures of oxygen and carbon dioxide (O2:CO2) were generated by different methods. Results Polidocanol endovenous microfoam was found to have a narrow bubble size distribution with no large (>500 µm) bubbles. Physician-compounded foams made with the Tessari method had broader bubble size distribution and large bubbles, which have an impact on foam stability. Polidocanol endovenous microfoam had a lower degradation rate than any physician-compounded foams, including foams made using room air (p < 0.035). The same result was obtained at different liquid to gas ratios (1:4 and 1:7) for physician-compounded foams. In all tests performed, CO2 foams were the least stable and different O2:CO2 mixtures had intermediate performance. In the biomimetic vein model, polidocanol endovenous microfoam had the slowest degradation rate and longest calculated dwell time, which represents the length of time the foam is in contact with the vein, almost twice that of physician-compounded foams using room air and eight times better than physician-compounded foams prepared using equivalent gas mixes. Conclusion Bubble size, bubble size distribution and stability of various sclerosing foam formulations show that polidocanol endovenous microfoam results in better overall performance compared with physician-compounded foams. Polidocanol endovenous microfoam offers better stability and cohesive properties in a biomimetic vein model compared to physician-compounded foams. Polidocanol endovenous microfoam, which is indicated in the United States for treatment of great saphenous vein system incompetence, provides clinicians with a consistent product with enhanced handling properties. PMID:26036246

Benefits of polidocanol endovenous microfoam (Varithena®) compared with physician-compounded foams.

PubMed

Carugo, Dario; Ankrett, Dyan N; Zhao, Xuefeng; Zhang, Xunli; Hill, Martyn; O'Byrne, Vincent; Hoad, James; Arif, Mehreen; Wright, David D I; Lewis, Andrew L

2016-05-01

To compare foam bubble size and bubble size distribution, stability, and degradation rate of commercially available polidocanol endovenous microfoam (Varithena®) and physician-compounded foams using a number of laboratory tests. Foam properties of polidocanol endovenous microfoam and physician-compounded foams were measured and compared using a glass-plate method and a Sympatec QICPIC image analysis method to measure bubble size and bubble size distribution, Turbiscan™ LAB for foam half time and drainage and a novel biomimetic vein model to measure foam stability. Physician-compounded foams composed of polidocanol and room air, CO2, or mixtures of oxygen and carbon dioxide (O2:CO2) were generated by different methods. Polidocanol endovenous microfoam was found to have a narrow bubble size distribution with no large (>500 µm) bubbles. Physician-compounded foams made with the Tessari method had broader bubble size distribution and large bubbles, which have an impact on foam stability. Polidocanol endovenous microfoam had a lower degradation rate than any physician-compounded foams, including foams made using room air (p < 0.035). The same result was obtained at different liquid to gas ratios (1:4 and 1:7) for physician-compounded foams. In all tests performed, CO2 foams were the least stable and different O2:CO2 mixtures had intermediate performance. In the biomimetic vein model, polidocanol endovenous microfoam had the slowest degradation rate and longest calculated dwell time, which represents the length of time the foam is in contact with the vein, almost twice that of physician-compounded foams using room air and eight times better than physician-compounded foams prepared using equivalent gas mixes. Bubble size, bubble size distribution and stability of various sclerosing foam formulations show that polidocanol endovenous microfoam results in better overall performance compared with physician-compounded foams. Polidocanol endovenous microfoam offers better stability and cohesive properties in a biomimetic vein model compared to physician-compounded foams. Polidocanol endovenous microfoam, which is indicated in the United States for treatment of great saphenous vein system incompetence, provides clinicians with a consistent product with enhanced handling properties. © The Author(s) 2015.

ChemStable: a web server for rule-embedded naïve Bayesian learning approach to predict compound stability.

PubMed

Liu, Zhihong; Zheng, Minghao; Yan, Xin; Gu, Qiong; Gasteiger, Johann; Tijhuis, Johan; Maas, Peter; Li, Jiabo; Xu, Jun

2014-09-01

Predicting compound chemical stability is important because unstable compounds can lead to either false positive or to false negative conclusions in bioassays. Experimental data (COMDECOM) measured from DMSO/H2O solutions stored at 50 °C for 105 days were used to predicted stability by applying rule-embedded naïve Bayesian learning, based upon atom center fragment (ACF) features. To build the naïve Bayesian classifier, we derived ACF features from 9,746 compounds in the COMDECOM dataset. By recursively applying naïve Bayesian learning from the data set, each ACF is assigned with an expected stable probability (p(s)) and an unstable probability (p(uns)). 13,340 ACFs, together with their p(s) and p(uns) data, were stored in a knowledge base for use by the Bayesian classifier. For a given compound, its ACFs were derived from its structure connection table with the same protocol used to drive ACFs from the training data. Then, the Bayesian classifier assigned p(s) and p(uns) values to the compound ACFs by a structural pattern recognition algorithm, which was implemented in-house. Compound instability is calculated, with Bayes' theorem, based upon the p(s) and p(uns) values of the compound ACFs. We were able to achieve performance with an AUC value of 84% and a tenfold cross validation accuracy of 76.5%. To reduce false negatives, a rule-based approach has been embedded in the classifier. The rule-based module allows the program to improve its predictivity by expanding its compound instability knowledge base, thus further reducing the possibility of false negatives. To our knowledge, this is the first in silico prediction service for the prediction of the stabilities of organic compounds.

GPCRs from fusarium graminearum detection, modeling and virtual screening - the search for new routes to control head blight disease.

PubMed

Bresso, Emmanuel; Togawa, Roberto; Hammond-Kosack, Kim; Urban, Martin; Maigret, Bernard; Martins, Natalia Florencio

2016-12-15

Fusarium graminearum (FG) is one of the major cereal infecting pathogens causing high economic losses worldwide and resulting in adverse effects on human and animal health. Therefore, the development of new fungicides against FG is an important issue to reduce cereal infection and economic impact. In the strategy for developing new fungicides, a critical step is the identification of new targets against which innovative chemicals weapons can be designed. As several G-protein coupled receptors (GPCRs) are implicated in signaling pathways critical for the fungi development and survival, such proteins could be valuable efficient targets to reduce Fusarium growth and therefore to prevent food contamination. In this study, GPCRs were predicted in the FG proteome using a manually curated pipeline dedicated to the identification of GPCRs. Based on several successive filters, the most appropriate GPCR candidate target for developing new fungicides was selected. Searching for new compounds blocking this particular target requires the knowledge of its 3D-structure. As no experimental X-Ray structure of the selected protein was available, a 3D model was built by homology modeling. The model quality and stability was checked by 100 ns of molecular dynamics simulations. Two stable conformations representative of the conformational families of the protein were extracted from the 100 ns simulation and were used for an ensemble docking campaign. The model quality and stability was checked by 100 ns of molecular dynamics simulations previously to the virtual screening step. The virtual screening step comprised the exploration of a chemical library with 11,000 compounds that were docked to the GPCR model. Among these compounds, we selected the ten top-ranked nontoxic molecules proposed to be experimentally tested to validate the in silico simulation. This study provides an integrated process merging genomics, structural bioinformatics and drug design for proposing innovative solutions to a world wide threat to grain producers and consumers.

Introduction to Quality Control in a Compounding Pharmacy.

PubMed

Allen, Loyd V

2016-01-01

A quality-based program is vital in every compounding pharmacy to ensure that each preparation is compounded properly and is stable for its expected duration of use. This article discusses quality control, quality assurance, continuous quality improvement, and also describes the components of an in-house (in-pharmacy) quality program, as well as the role of outside laboratories. Copyright© by International Journal of Pharmaceutical Compounding, Inc.

A Molecular-Level View of the Physical Stability of Amorphous Solid Dispersions

NASA Astrophysics Data System (ADS)

Yuan, Xiaoda

Many pharmaceutical compounds being developed in recent years are poorly soluble in water. This has led to insufficient oral bioavailability of many compounds in vitro. The amorphous formulation is one of the promising techniques to increase the oral bioavailability of these poorly water-soluble compounds. However, an amorphous drug substance is inherently unstable because it is a high energy form. In order to increase the physical stability, the amorphous drug is often formulated with a suitable polymer to form an amorphous solid dispersion. Previous research has suggested that the formation of an intimately mixed drug-polymer mixture contributes to the stabilization of the amorphous drug compound. The goal of this research is to better understand the role of miscibility, molecular interactions and mobility on the physical stability of amorphous solid dispersions. Methods were developed to detect different degrees of miscibility on nanometer scale and to quantify the extent of hydrogen-bonding interactions between the drug and the polymer. Miscibility, hydrogen-bonding interactions and molecular mobility were correlated with physical stability during a six-month period using three model systems. Overall, this research provides molecular-level insights into many factors that govern the physical stability of amorphous solid dispersions which can lead to a more effective design of stable amorphous formulations.

Non-aqueous electrolyte for lithium-ion battery

DOEpatents

Zhang, Lu; Zhang, Zhengcheng; Amine, Khalil

2014-04-15

The present technology relates to stabilizing additives and electrolytes containing the same for use in electrochemical devices such as lithium ion batteries and capacitors. The stabilizing additives include triazinane triones and bicyclic compounds comprising succinic anhydride, such as compounds of Formulas I and II described herein.

Stability of compounded trilostane suspension in cod liver oil.

PubMed

Crosby, Jesse; Brown, Stacy

2017-10-01

Trilostane is a synthetic steroid analog used to treat canine hyperadrenocorticism. For small dogs, the dose found in commercially available dosage forms of trilostane is sometimes too high. Compounding trilostane in a liquid diluent provides an option for more precise dosing and adjustments, and can be easier to administer, versus a tablet or capsule. Trilostane suspends well in cod liver oil, which is generally palatable to dogs. The stability of a compounded trilostane suspension in cod liver oil stored at room temperature was investigated for 90 days. Compounded trilostane retained stability, defined as maintaining 90-105% labeled value, for 60 days when stored in amber glass bottles. However, drug potency fell >10% below the labeled value when stored in amber plastic bottles after 7 days. Copyright © 2017 Elsevier Ltd. All rights reserved.

Improving oxidative stability of echium oil emulsions fabricated by Microfluidics: Effect of ionic gelation and phenolic compounds.

PubMed

Comunian, Talita A; Ravanfar, Raheleh; de Castro, Inar Alves; Dando, Robin; Favaro-Trindade, Carmen S; Abbaspourrad, Alireza

2017-10-15

Echium oil is rich in omega-3 fatty acids, which are important because of their benefits to human health; it is, however, unstable. The objective of this work was the coencapsulation of echium oil and quercetin or sinapic acid by microfluidic and ionic gelation techniques. The treatments were analyzed utilizing optical and scanning electron microscopy, encapsulation yield, particle size, thermogravimetry, Fourier transform infrared spectroscopy, stability under stress conditions, and oil oxidative/phenolic compound stability for 30days at 40°C. High encapsulation yield values were obtained (91-97% and 77-90% for the phenolic compounds and oil) and the encapsulated oil was almost seven times more stable than the non-encapsulated oil (0.34 vs 2.42mgMDA/kg oil for encapsulated and non-encapsulated oil, respectively). Encapsulation was shown to promote oxidative stability, allowing new vehicles for the application of these compounds in food without the use of solvents and high temperature. Copyright © 2017 Elsevier Ltd. All rights reserved.

Antitumoural Sulphur and Selenium Heteroaryl Compounds: Thermal Characterization and Stability Evaluation.

PubMed

Alcolea, Verónica; Garnica, Pablo; Palop, Juan A; Sanmartín, Carmen; González-Peñas, Elena; Durán, Adrián; Lizarraga, Elena

2017-08-08

The physicochemical properties of a compound play a crucial role in the cancer development process. In this context, polymorphism can become an important obstacle for the pharmaceutical industry because it frequently leads to the loss of therapeutic effectiveness of some drugs. Stability under manufacturing conditions is also critical to ensure no undesired degradations or transformations occur. In this study, the thermal behaviour of 40 derivatives of a series of sulphur and selenium heteroaryl compounds with potential antitumoural activity were studied. In addition, the most promising cytotoxic derivatives were analysed by a combination of differential scanning calorimetry, X-ray diffraction and thermogravimetric techniques in order to investigate their polymorphism and thermal stability. Moreover, stability under acid, alkaline and oxidative media was tested. Degradation under stress conditions as well as the presence of polymorphism was found for the compounds VA6E and VA7J, which might present a hurdle to carrying on with formulation. On the contrary, these obstacles were not found for derivative VA4J.

Mass spectrometry for the characterization of brewing process.

PubMed

Vivian, Adriana Fu; Aoyagui, Caroline Tiemi; de Oliveira, Diogo Noin; Catharino, Rodrigo Ramos

2016-11-01

Beer is a carbonated alcoholic beverage produced by fermenting ingredients containing starch, especially malted cereals, and other compounds such as water, hops and yeast. The process comprises five main steps: malting, mashing, boiling, fermentation and maturation. There has been growing interest in the subject, since there is increasing demand for beer quality aspects and beer is a ubiquitous alcoholic beverage in the world. This study is based on the manufacturing process of a Brazilian craft brewery, which is characterized by withdrawing samples during key production stages and using electrospray ionization (ESI) high-resolution mass spectrometry (HRMS), a selective and reliable technique used in the identification of substances in an expeditious and practical way. Multivariate data analysis, namely partial least squares discriminant analysis (PLS-DA) is used to define its markers. In both positive and negative modes of PLS-DA score plot, it is possible to notice differences between each stage. VIP score analysis pointed out markers coherent with the process, such as barley components ((+)-catechin), small peptide varieties, hop content (humulone), yeast metabolic compounds and, in maturation, flavoring compounds (caproic acid, glutaric acid and 2,3-butanediol). Besides that, it was possible to identify other important substances such as off-flavor precursors and other different trace compounds, according to the focus given. This is an attractive alternative for the control of food and beverage industry, allowing a quick assessment of process status before it is finished, preventing higher production costs, ensuring quality and helping the control of desirable features, as flavor, foam stability and drinkability. Covering different classes of compounds, this approach suggests a novel analytical strategy: "processomics", aiming at understanding processes in detail, promoting control and being able to make improvements. Copyright © 2016 Elsevier Ltd. All rights reserved.

Using operational and defined fractions to assess soil organic matter stabilization and structure

NASA Astrophysics Data System (ADS)

Horwath, W. R.

2015-12-01

Studies on soil organic matter (SOM) began with alkaline solvents revealing a dark colored substance that could be isolated under low pH. Further studies revealed fulvic and humic acids and humin fractions leading to theories on functional groups and metal-clay bridging mechanisms. The fate of isotopes in these fractions revealed soil carbon pools with varying turnover rates with half the soil carbon (C) in humin and acid hydrolyzed fractions over 1000 years old. These results are the basis of the three pool conceptual framework used in many biogeochemical models. Theories on the role of functional groups and compound classes further elaborated concepts on physical (aggregates) and chemical mechanisms of C stabilization. With the advance of analytical instrumentation, the operational fractions were further defined to the compound and molecular levels. These studies confirmed the majority of soil C is microbially derived. Our observation that all microbial groups contributed nonselectively to soil C maintenance independent of mineralogy suggests that compound characteristics within integrated structures are more important than the source of individual compounds for stabilizing soil C. In dissolved organic C floccing studies using Near Edge X-ray Fine Structure analysis, we found that aromatic compounds interacted first with Fe, however, the majority of direct bonds to Fe were polysaccharides, reinforcing that an integrative chemical structure rather than direct bonds imparted stability in organo-metal interactions. Using a novel differential scanning calorimeter coupled to an isotope ratio mass spectrometer setup, we confirmed that the presence of clays (independent of clay type) increased the microbial utilization of calcium stabilized high versus low temperature compounds, asserting that higher temperature compounds (i.e., phenolics) are likely less tightly bound by clay minerals. The integration of operational and defined fractions of SOM remains a legitimate approach to examine SOM structure and stabilization across scales of soil development and management.

Chemical profiling and quantification of Chinese medicinal formula Huang-Lian-Jie-Du decoction, a systematic quality control strategy using ultra high performance liquid chromatography combined with hybrid quadrupole-orbitrap and triple quadrupole mass spectrometers.

PubMed

Yang, Yang; Wang, Hong-Jie; Yang, Jian; Brantner, Adelheid H; Lower-Nedza, Agnieszka D; Si, Nan; Song, Jian-Fang; Bai, Bing; Zhao, Hai-Yu; Bian, Bao-Lin

2013-12-20

To clarify and quantify the chemical profiling of Huang-Lian-Jie-Du decoction (HLJDD) rapidly, a feasible and accurate strategy was developed by applying high speed LC combined with hybrid quadrupole-orbitrap mass spectrometer (Q-Exactive) and UHPLC-triple quadruple mass spectrometer (UHPLC-QqQ MS). 69 compounds, including iridoids, alkaloids, flavonoids, triterpenoid, monoterpene and phenolic acids, were identified by their characteristic high resolution mass data. Among them, 18 major compounds were unambiguously detected by comparing with reference standards. In the subsequent quantitative analysis, 17 representative compounds, selected as quality control markers, were simultaneously detected in 10 batches of HLJDD samples by UHPLC-QqQ MS. These samples were collected from four different countries (regions). Icariin, swertiamarin and corynoline were employed as internal standards for flavonoids, iridoids and alkaloids respectively. All the analytes were detected within 12min. Polarity switching mode was used in the optimization of multiple reaction monitoring (MRM) conditions. Satisfactory linearity was achieved with wide linear range and fine determination coefficient (r(2)>0.9990). The relative standard deviations (RSD) of inter- and intra-day precisions were less than 5.0%. This method was also validated by repeatability, stability (8h) and recovery, with respective RSDs less than 4.6%, 5.0% and 6.3%. This research established a high sensitive and efficient method for the integrating quality control, including identification and quantification of Chinese medicinal formulas. Copyright © 2013 Elsevier B.V. All rights reserved.

Investigation into photostability of soybean oils by thermal lens spectroscopy

NASA Astrophysics Data System (ADS)

Savi, E. L.; Malacarne, L. C.; Baesso, M. L.; Pintro, P. T. M.; Croge, C.; Shen, J.; Astrath, N. G. C.

2015-06-01

Assessment of photochemical stability is essential for evaluating quality and the shelf life of vegetable oils, which are very important aspects of marketing and human health. Most of conventional methods used to investigate oxidative stability requires long time experimental procedures with high consumption of chemical inputs for the preparation or extraction of sample compounds. In this work we propose a time-resolved thermal lens method to analyze photostability of edible oils by quantitative measurement of photoreaction cross-section. An all-numerical routine is employed to solve a complex theoretical problem involving photochemical reaction, thermal lens effect, and mass diffusion during local laser excitation. The photostability of pure oil and oils with natural and synthetic antioxidants is investigated. The thermal lens results are compared with those obtained by conventional methods, and a complete set of physical properties of the samples is presented.

Effects of copper on the antioxidant activity of olive polyphenols in bulk oil and oil-in-water emulsions.

PubMed

Paiva-Martins, Fátima; Santos, Vera; Mangericão, Hugo; Gordon, Michael H

2006-05-17

The antioxidant activity and interactions with copper of four olive oil phenolic compounds, namely oleuropein, hydroxytyrosol, 3,4-dihydroxyphenylethanol-elenolic acid (1), and 3,4-dihydroxyphenylethanol-elenolic acid dialdehyde (2), in olive oil and oil-in-water emulsions stored at 60 degrees C were studied. All four phenolic compounds significantly extended the induction time of lipid oxidation in olive oil with the order of activity being hydroxytyrosol > compound 1 > compound 2 > oleuropein > alpha-tocopherol; but in the presence of Cu(ll), the stability of oil samples containing phenolic compounds decreased by at least 90%, and the antioxidant activity of hydroxytyrosol and compounds 1 and 2 became similar. In oil-in-water emulsions prepared from olive oil stripped of tocopherols, hydroxytyrosol enhanced the prooxidant effect of copper at pH 5.5 but not at pH 7.4. The stability of samples containing copper at pH 5.5 was not significantly different if oleuropein was present from that of the control. Oleuropein at pH 7.4, and compounds 1 and 2 at both pH values tested, reduced the prooxidant effect of copper. The lower stability and the higher reducing capacity of all compounds at pH 7.4 could not explain the higher stability of emulsions containing phenolic compounds at this pH value. However, mixtures containing hydroxytyrosol or oleuropein with copper showed higher 1,1-diphenyl-2-picrylhydrazyl radical scavenging activity at pH 7.4 than at pH 5.5. Moreover, the compound 2-copper complex showed higher radical scavenging activity then the uncomplexed compound at pH 5.5. It can be concluded that the formation of a copper complex with radical scavenging activity is a key step in the antioxidant action of the olive oil phenolic compounds in an emulsion containing copper ions.

Stability studies of endocrine disrupting tributyltin and triphenyltin compounds in an artificial sea water model.

PubMed

Novotny, Ladislav; Sharaf, Leyla; Abdel-Hamid, Mohammed E; Brtko, Julius

2018-01-01

Triorganotins belong to toxic components present predominantly in antifouling paints for marine vessels. Tributyltin/triphenyltin at pico- or nanomolar concentrations in sea water are known to induce an irreversible sexual abnormality in females of over 190 marine species, an "imposex" phenomenon - the superimposition of male genitalia on a female. Moreover, trialkyltins and triaryltins function as potent nuclear retinoid X receptors (RXR) agonists. In mammals, triorganotin compounds induce immunosuppressive, metabolic, reproductive or developmental effects. Toxic effects of triorganotins warrant the need for monitoring of their long-lasting presence in the environment. This study brings novel data on the stability of two triorganotin compounds in artificial sea water model obtained by applying ultra-pressure liquid chromatography (UPLC) and gas chromatography-mass spectrometry (GC-MS) methods. Stability of tributyltin and triphenyltin chlorides was studied for 180 days and the degradation kinetic parameters were obtained. Tributyltin chloride was the less stable with the degradation kinetic parameters Kdeg = 0.00014 day-1 and t1/2 = 4950 days (13.6 years). Kdeg of the more stable triphenyltin chloride was determined to be Kdeg = 0.00006 day-1 with t1/2 = 11550 days (31.6 years). Since similar stability data of triorganotin compounds were not published previously, we report high stability for both tested compounds, which indicates a significant environmental problem when these substances enter sea water and later coastal sediments.

Extemporaneous benznidazole oral suspension prepared from commercially available tablets for treatment of Chagas disease in paediatric patients.

PubMed

García, Mónica C; Manzo, Ruben H; Jimenez-Kairuz, Alvaro F

2015-07-01

To develop an extemporaneous 1% benznidazole (BNZ) suspension, with masked taste and adequate stability starting from available commercial tablets. The quality of compounding was evaluated through content uniformity measurement and physical and microbiological stability evaluation, under different storage conditions during 90 days. Six batches of 1% BNZ suspension were prepared using safe excipients currently available in a galenic area of Hospital Pharmacy and then stored at 5 and 25 °C for 90 days. The BNZ content was determined by UV spectrophotometry. Physical stability was defined as the absence of colour, odour and/or flavour changes and the re-suspension of solid phase by a reasonable amount of simple 15-s shaking. The compliance with microbiological attributes of non-sterile pharmaceutical products was also evaluated. An oral liquid suspension, containing 1% of BNZ, was developed from commercially available BNZ tablets. The formulations stored for 90 days were easily re-dispersed after a simple 15-s shaking, ensuring the pouring of a liquid volume containing the desired dose of BNZ. All samples were within the acceptable range of BNZ concentration with minimal standard deviations. There were no detectable changes in colour, odour, viscosity, pH and microbial growth, complying with official quality requirements. The quality attributes were not affected by storage, room or refrigeration conditions or by the frequent opening or closing of the multidose containers. Paediatric oral liquid suspension containing 1.0% of BNZ was easily prepared starting from commercial tablets, being an interesting alternative for optimising the paediatric treatment of Chagas disease. © 2015 John Wiley & Sons Ltd.

Suspensions as a Valuable Alternative to Extemporaneously Compounded Capsules.

PubMed

Dijkers, Eli; Nanhekhan, Valerie; Thorissen, Astrid; Polonini, Hudson

2017-01-01

The objective of this study was to determine the variation in content of 74 different active pharmaceutical ingredients (APIs) and compare it with what is known in the literature for the content uniformity of extemporaneous prepared capsules. Active pharmaceutical ingredients quantification was performed by high-performance liquid chromatography, via a stability-indicating method. Samples for all active pharmaceutical ingredients were taken throughout a 90-day period and the content was determined. In total, 5,190 different samples were analyzed for 74 different active pharmaceutical ingredients at room (15°C to 25°C) or controlled refrigerated temperature (2°C to 8°C). Each of these datasets was analyzed according to the United States Pharmacopeia Content Uniformity monograph, corrected for the sample number. The mean acceptance values were well within specifications. In addition, all suspensions complied with the criteria defined by the British Pharmacopoeia monograph for Content Uniformity of Liquid Dispersions for both room and controlled refrigerated temperature. In previous studies, it was found that a routine weight variation check is often not sufficient for quality assurance of extemporaneous prepared capsules. Compounded oral liquids show little variation in content for 74 different active pharmaceutical ingredients; therefore, compounded oral liquids are a suitable alternative when compounding individualized medications for patients. Copyright© by International Journal of Pharmaceutical Compounding, Inc.

Applying Quality by Design Concepts to Pharmacy Compounding.

PubMed

Timko, Robert J

2015-01-01

Compounding of medications is an important part of the practice of the pharmacy profession. Because compounded medications do not have U.S. Food and Drug Administration approval, a pharmacist has the responsibility to ensure that compounded medications are of suitable quality, safety, and efficacy. The Federal Government and numerous states have updated their laws and regulations regarding pharmacy compounding as a result of recent quality issues. Compounding pharmacists are expected to follow good preparation prodecures in their compounding practices in much the same way pharmaceutical manufacturers are required to follow Current Good Manufacturing Procedures as detailed in the United States Code of Federal Regulations. Application of Quality by Design concepts to the preparation process for a compounded medication can help in understanding the potential pitfalls and the means to mitigate their impact. The goal is to build quality into the compounding process to ensure that the resultant compounded prescription meets the human or animal patients' requirements.

Field Evaluation of Anti-Biofouling Compounds on Optical Instrumentation

NASA Technical Reports Server (NTRS)

McLean, Scott; Schofield, Bryan; Zibordi, Giuseppe; Lewis, Marlon; Hooker, Stanford; Weidemann, Alan

1997-01-01

Biofouling has been a serious question in the stability of optical measurements in the ocean, particularly in moored and drifting buoy applications. Many investigators coat optical surfaces with various compounds to reduce the amount of fouling; to our knowledge, however, there are no objective, in-situ comparative testing of these compounds to evaluate their effectiveness with respect to optical stability relative to untreated controls. We have tested a wide range of compounds at in-situ locations in Halifax Harbour and in the Adriatic Sea on passive optical sensors. Compounds tested include a variety of TBT formulations, antifungal agents, and low-friction silicone-based compounds; time-scales of up to four months were evaluated. The results of these experiments are discussed.

Stability and Microtox Response of Butenyltin Compounds

DTIC Science & Technology

compound was as stable as tributyltin bromide. Stability in seawater, in the absence of ultraviolet (UV) light, was less for both tri-1-butenyltin...bromides necessary to produce a toxic responses were three to six times greater than for tributyltin bromide. Keywords: Marine fouling; Environmental impact statement; Antifouling coatings; Organotin; Reprints.

Enrichment of refined olive oil with phenolic compounds: evaluation of their antioxidant activity and their effect on the bitter index.

PubMed

Artajo, Luz S; Romero, María P; Morelló, José R; Motilva, María J

2006-08-09

The study of the antioxidant effects of biophenolic compounds is supported by the current interest in natural products and the ongoing replacement of synthetic antioxidants by natural antioxidants from plant sources. Olives and olive oil, especially extra virgin olive oil, contain a variety of bioactive compounds (phytochemicals) widely considered to be potentially beneficial for health. This research was focused on evaluating the antioxidant activity of the enriched refined olive oil to discover a possible functional food application. Different concentrations of individual and combined phenolic compounds were added to the refined olive oil as lipid matrix, and the antioxidant activity expressed as oxidative stability in hours was determined by using the Rancimat method. Additionally, the bitter index was evaluated to assess the effect of the enrichment in relation to the organoleptic quality. The results showed that the antioxidant activity depends on the concentration of the phenol used for the assay and the chemical structure. In general, the most positive effects were observed in 3,4-dihydroxy and 3,4,5-trihydroxy structures linked to an aromatic ring that conferred to the moiety a higher proton dislocation, thus facilitating the scavenging activity.

Qualitative and Quantitative Analysis of the Major Constituents in Chinese Medical Preparation Lianhua-Qingwen Capsule by UPLC-DAD-QTOF-MS

PubMed Central

Jia, Weina; Wang, Chunhua; Wang, Yuefei; Pan, Guixiang; Jiang, Miaomiao; Li, Zheng; Zhu, Yan

2015-01-01

Lianhua-Qingwen capsule (LQC) is a commonly used Chinese medical preparation to treat viral influenza and especially played a very important role in the fight against severe acute respiratory syndrome (SARS) in 2002-2003 in China. In this paper, a rapid ultraperformance liquid chromatography coupled with diode-array detector and quadrupole time-of-flight mass spectrometry (UPLC-DAD-QTOF-MS) method was established for qualitative and quantitative analysis of the major constituents of LQC. A total of 61 compounds including flavonoids, phenylpropanoids, anthraquinones, triterpenoids, iridoids, and other types of compounds were unambiguously or tentatively identified by comparing the retention times and accurate mass measurement with reference compounds or literature data. Among them, twelve representative compounds were further quantified as chemical markers in quantitative analysis, including salidroside, chlorogenic acid, forsythoside E, cryptochlorogenic acid, amygdalin, sweroside, hyperin, rutin, forsythoside A, phillyrin, rhein, and glycyrrhizic acid. The UPLC-DAD method was evaluated with linearity, limit of detection (LOD), limit of quantification (LOQ), precision, stability, repeatability, and recovery tests. The results showed that the developed quantitative method was linear, sensitive, and precise for the quality control of LQC. PMID:25654135

Effect of a grapevine shoot waste extract on red wine aromatic properties.

PubMed

Ruiz-Moreno, María J; Raposo, Rafaela; Puertas, Belén; Cuevas, Francisco J; Chinnici, Fabio; Moreno-Rojas, José M; Cantos-Villar, Emma

2018-04-26

The use of a grapevine shoot extract (VIN) is being studied as an alternative to sulfur dioxide (SO 2 ). VIN stabilizes anthocyanins and preserves polyphenolic compounds, and thus improves chromatic wine properties. In the current work, selected aroma compounds (esters, C13-norisoprenoids, oxidation and vine shoot related compounds), sensory analysis and the olfactometric profile were determined in the wines treated with VIN at two concentrations. Treatment with VIN hardly modified the content of esters and oxidation-related compounds in the wines. However, the high β-damascenone and isoeugenol content, and the increase in astringency at tasting in VIN wines were noteworthy, as were some odorant zones. All above were established as VIN markers after the chemometric data analysis. These date revealed that only the lowest dose tested may be recommended as a suitable alternative to SO 2 . Although some aromatic properties of these wines may change, these changes are not considered to affect negatively to the quality of the wines. These results are useful for wineries, which face to uncover aroma-related processes in the challenge of producing SO 2 free wines without detriment of its sensory properties. This article is protected by copyright. All rights reserved.

Analytic Methods Used in Quality Control in a Compounding Pharmacy.

PubMed

Allen, Loyd V

2017-01-01

Analytical testing will no doubt become a more important part of pharmaceutical compounding as the public and regulatory agencies demand increasing documentation of the quality of compounded preparations. Compounding pharmacists must decide what types of testing and what amount of testing to include in their quality-control programs, and whether testing should be done in-house or outsourced. Like pharmaceutical compounding, analytical testing should be performed only by those who are appropriately trained and qualified. This article discusses the analytical methods that are used in quality control in a compounding pharmacy. Copyright© by International Journal of Pharmaceutical Compounding, Inc.

A promising high-energy-density material.

PubMed

Zhang, Wenquan; Zhang, Jiaheng; Deng, Mucong; Qi, Xiujuan; Nie, Fude; Zhang, Qinghua

2017-08-03

High-energy density materials represent a significant class of advanced materials and have been the focus of energetic materials community. The main challenge in this field is to design and synthesize energetic compounds with a highest possible density and a maximum possible chemical stability. Here we show an energetic compound, [2,2'-bi(1,3,4-oxadiazole)]-5,5'-dinitramide, is synthesized through a two-step reaction from commercially available reagents. It exhibits a surprisingly high density (1.99 g cm -3 at 298 K), poor solubility in water and most organic solvents, decent thermal stability, a positive heat of formation and excellent detonation properties. The solid-state structural features of the synthesized compound are also investigated via X-ray diffraction and several theoretical techniques. The energetic and sensitivity properties of the explosive compound are similar to those of 2, 4, 6, 8, 10, 12-(hexanitrohexaaza)cyclododecane (CL-20), and the developed compound shows a great promise for potential applications as a high-energy density material.High energy density materials are of interest, but density is the limiting factor for many organic compounds. Here the authors show the formation of a high density energetic compound from a two-step reaction between commercially available compounds that exhibit good heat thermal stability and detonation properties.

Structural stability and electronic structure of transition metal compound: HfN

NASA Astrophysics Data System (ADS)

Sarwan, Madhu; Shukoor, V. Abdul; Singh, Sadhna

2018-05-01

The structural stability of transition metal nitride (HfN) has been investigated using density functional theory (DFT) with the help of Quantum-espresso codes. Our calculations confirm that the hafnium nitride (HfN) is stable in zinc-blende (B3) and rock-salt (B1) type structure. We have also reported the structural and electronic properties of HfN compound. These structural properties have been compared with experimental and theoretical data available on this compound.

Stability and Elastic, Electronic, and Thermodynamic Properties of Fe2TiSi1- x Sn x Compounds

NASA Astrophysics Data System (ADS)

Jong, Ju-Yong; Yan, Jihong; Zhu, Jingchuan; Kim, Chol-Jin

2017-10-01

We have systematically studied the structural, phase, and mechanical stability and elastic, electronic, and thermodynamic properties of Fe2TiSi1- x Sn x ( x = 0, 0.25, 0.5, 0.75, 1) compounds using first-principles calculations. The structural and phase stability and elastic properties of Fe2TiSi1- x Sn x ( x = 0, 0.25, 0.5, 0.75, 1) indicated that all of the compounds are thermodynamically and mechanically stable. The shear modulus, bulk modulus, Young's modulus, Poisson's ratio, electronic band structure, density of states, Debye temperature, and Grüneisen parameter of all the substituted compounds were studied. The results show that Sn substitution in Fe2TiSi enhances its stability and mechanical and thermoelectric properties. The Fe2TiSi1- x Sn x compounds have narrow bandgap from 0.144 eV and 0.472 eV for Sn substitution from 0 to 1. The calculated band structure and density of states (DOS) of Fe2TiSi1- x Sn x show that the thermoelectric properties can be improved at substituent concentration x of 0.75. The lattice thermal conductivity was significantly decreased in the Sn-substituted compounds, and all the results indicate that Fe2TiSi0.25Sn0.75 could be a new candidate high-performance thermoelectric material.

NEW RENIN INHIBITORS - STABILITY AND ACTIVITY DETERMINATION. PART IV.

PubMed

Marszalek, Dorota; Goldnik, Anna; Winiecka, Iwona; Jaworsk, Pawel; Mazurek Aleksander P

2017-03-01

A series of new seven potential renin inhibitors containing pseudodipeptides were synthesized. Stability for all compounds (1-7) in homogenates of liver, kidney, lung and in serum, gastric, intestinal juice and in the presence of α-chymotrypsin was determined. Compound 1 was unstable in all determined mediums. Compounds 2, 4, 5 and 7 were unstable, compound 3 was stable, compound 6 was unstable only in α-chy-motrypsin solution. Inhibitory activity of the compounds was measured in vitro by HPLC determination of low-ering concentration of substrate (angiotensinogen) in the presence of renin and the potential renin inhibitor (compounds 1-7). Compounds 1, 2, 4, 5, 6 and 7 showed inhibitory activity (1.12 x 10⁻⁷, 0.96 x 10⁻⁶, 1.58 x10⁻⁷,1.68 x 10⁻⁶, 1.30 x 10⁻⁶, 0.96 x 10⁻⁷M, respectively).

Deposit formation in liquid fuels. II - The effect of selected compounds on the storage stability of Jet A turbine fuel

NASA Technical Reports Server (NTRS)

Worstell, J. H.; Daniel, S. R.

1981-01-01

The influence of substituted pyridines, pyrroles, indoles, and quinolines on the storage stability of conventional Jet A turbine fuel is evaluated. Significant increases in the amount of deposit formed in accelerated storage tests are found upon addition of these compounds at levels as low as one ppm nitrogen. While the effect is correlated with basicity of the nitrogen compound within a given compound class, the correlation does not hold between classes (pyridines, quinolines, etc.). Steric hindrance at the nitrogen atom greatly inhibits deposit promotion. The characteristics, but not the elemental composition, of deposits vary with the identity of the added nitrogen compound and with deposition temperature.

Thermochemical Stability Study of Alkyl-Tethered Quaternary Ammonium Cations for Anion Exchange Membrane Fuel Cells

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

Mohanty, Angela D.; Tignor, Steven E.; Sturgeon, Matthew R.

2017-01-01

The increased interest in the use of anion exchange membranes (AEMs) for applications in electrochemical devices has prompted significant efforts in designing materials with robust stability in alkaline media. Most reported AEMs suffer from polymer backbone degradation as well as cation functional group degradation. In this report, we provide comprehensive experimental investigations for the analysis of cation functional group stability under alkaline media. A silver oxide-mediated ion exchange method and an accelerated stability test in aqueous KOH solutions at elevated temperatures using a Parr reactor were used to evaluate a broad scope of quaternary ammonium (QA) cationic model compound structures,more » particularly focusing on alkyl-tethered cations. Additionally, byproduct analysis was employed to gain better understanding of degradation pathways and trends of alkaline stability. Experimental results under different conditions gave consistent trends in the order of cation stability of various QA small molecule model compounds. Overall, cations that are benzyl-substituted or that are near to electronegative atoms (such as oxygen) degrade faster in alkaline media in comparison to alkyl-tethered QAs. These comprehensive model compound stability studies provide valuable information regarding the relative stability of various cation structures and can help guide researchers towards designing new and promising candidates for AEM materials.« less

Assessment of soil organic matter persistence under different land uses applying a physical fractionation procedure

NASA Astrophysics Data System (ADS)

Giannetta, Beatrice; Plaza, César; López-de-Sá, Esther G.; Vischetti, Costantino; Zaccone, Claudio

2017-04-01

The understanding of the mechanisms involved in the build-up of soil organic matter (SOM) pools with long residence time is tightly linked to the comprehension of C dynamics. Organo-mineral associations are known to be strongly correlated with the accumulation of selective preserved C forms. Adsorption to minerals, as well as occlusion within aggregates, may affect SOM protection in different ways depending on its molecular structure and pedo-climatic conditions. In this research, we investigated changes in quantity and quality of SOM pools characterized by different protection mechanisms in coniferous and broadleaved forest soils, grassland soils, technosols and an agricultural soil with different organic amendments, in order to evaluate the influence of both land use and organic matter nature on physical and/or chemical stabilization of SOM. In particular, free (FR), intra-macroaggregate (MA), intra-microaggregate (MI), and mineral-associated (Min) fractions were separated in order to define physical and chemical mechanisms responsible for the SOM protection against degradation. All these SOM fractions were analyzed for organic C and total N concentration, and their stability assessed by thermogravimetric analysis (TD-TGA). Preliminary data show that, for all land uses, most of the organic C (40-60%) is found in the Min pool, followed by FR (20-40%)>MI MA. With the only exception of the FR, no significant correlations were found between the C/N ratio and a thermal stability index (H550-400/400-250) of each fraction; at the same time, a highly significant and positive correlation was found between these two parameters in all fractions isolated from agricultural soils. In particular, the thermal stability index measured in all Min fractions may be related to the more marked presence of labile compounds in this pool relative to recalcitrant compounds. Conversely, FR OM could not always represent a fresh and readily decomposable fraction.Furthermore, OM associated with soil minerals exhibits a low C/N ratio, possibly attributed to the association of proteins and peptides with the mineral phase. Future research steps will allow a better understanding of the role of molecular structure on SOM stabilization mechanisms, with a particular focus on the description of C and N compounds in organo-mineral associations.

Oxidative stability and ignition quality of algae derived methyl esters containing varying levels of methyl eicosapentaenoate and methyl docosahexaenoate

NASA Astrophysics Data System (ADS)

Bucy, Harrison

Microalgae is currently receiving strong consideration as a potential biofuel feedstock to help meet the advanced biofuels mandate of the 2007 Energy Independence and Security Act because of its theoretically high yield (gallons/acre/year) in comparison to current terrestrial feedstocks. Additionally, microalgae also do not compete with food and can be cultivated with wastewater on non-arable land. Microalgae lipids can be converted into a variety of biofuels including fatty acid methyl esters (e.g. FAME biodiesel), renewable diesel, renewable gasoline, or jet fuel. For microalgae derived FAME, the fuel properties will be directly related to the fatty acid composition of the lipids produced by the given microalgae strain. Several microalgae species under consideration for wide scale cultivation, such as Nannochloropsis, produce lipids with fatty acid compositions containing substantially higher quantities of long chainpolyunsaturated fatty acids (LC-PUFA) in comparison to terrestrial feedstocks. It is expected that increased levels of LC-PUFA will be problematic in terms of meeting all of the current ASTM specifications for biodiesel. For example, it is known that oxidative stability and cetane number decrease with increasing levels of LC-PUFA. However, these same LC-PUFA fatty acids, such as eicosapentaenoic acid (EPA: C20:5) and docosahexaenoic acid (DHA: C22:6) are known to have high nutritional value thereby making separation of these compounds economically attractive. Given the uncertainty in the future value of these LC-PUFA compounds and the economic viability of the separation process, the goal of this study was to examine the oxidative stability and ignition quality of algae-based FAME with varying levels of EPA and DHA removal. Oxidative stability tests were conducted at a temperature of 110°C and airflow of 10 L/h using a Metrohm 743 Rancimat with automatic induction period determination following the EN 14112 Method from the ASTM D6751 and EN 14214 Standards, which call for induction periods of at least three hours and six hours, respectively. Derived Cetane Number testing was conducted using a Waukesha FIT following the ASTM D7170 Method. Tests were conducted with synthetic algal oil blends manufactured from various sources to match the fatty acid compositions of several algae strains subjected to varying removal amounts of roughly 0 -- 100 percent LC-PUFA. In addition, tests were also conducted with real algal methyl esters produced from multiple sources. The bis-allylic position equivalent (BAPE) was calculated for each fuel sample to quantify the level of unsaturation. The induction period was then plotted as a function of BAPE, which showed that the oxidative stability varied exponentially with the amount of LC-PUFA. The results suggest that removal of 45 -- 65 percent of the LC-PUFA from Nannochloropsis-based algal methyl esters would be sufficient for meeting existing ASTM specifications for oxidative stability and 75 -- 85 percent removal would be needed to meet the EN specification. The oxidative stability additive tert-butylhydroquinone (THBQ) was found to increase Nannochloropsis-based algal methyl esters' oxidative stability to ASTM and EN specifications at only 0.03 percent and 0.06 percent additions by mass, respectively, when no LC-PUFA was removed. The ignition quality tests showed that the Derived Cetane Number varied linearly with BAPE and the algae formulations were found to pass the ASTM cetane specification of 47 only if all the LC-PUFA were removed.

Theoretical Design on a Series of Novel Bicyclic and Cage Nitramines as High Energy Density Compounds.

PubMed

Pan, Yong; Zhu, Weihua

2017-11-30

We designed four bicyclic nitramines and three cage nitramines by incorporating -N(NO 2 )-CH 2 -N(NO 2 )-, -N(NO 2 )-, and -O- linkages based on the HMX (1,3,5,7-tetranitro-1,3,5,7-tetrazocane) framework. Then, their electronic structure, heats of formation, energetic properties, strain energy, thermal stability, and impact sensitivity were systematically studied using density functional theory (DFT). Compared to the parent compound HMX, all the title compounds have much higher density, better detonation properties, and better oxygen balance. Among them, four compounds have extraordinary high detonation properties (D > 9.70 km/s and P > 44.30 GPa). Moreover, most of the title compounds exhibit better thermal stability and lower impact sensitivity than CL-20 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane) or HNHAA (hexanitrohexaazaadamantane). Thus, all of the seven new nitramine compounds are promising candidates for high energy density compounds. In particular, five compounds exhibit a best combination of better oxygen balance, good thermal stability, excellent detonation properties superior to or comparable to CL-20 or HNHAA, and lower impact sensitivity than CL-20 or HNHAA. The results indicate that our unusual design strategy that constructing bicyclic or cage nitramines based on the HMX framework by incorporating the intramolecular linkages is very useful for developing novel energetic compounds with excellent detonation performance and low sensitivity.

Integrating plant litter quality, soil organic matter stabilization, and the carbon saturation concept.

PubMed

Castellano, Michael J; Mueller, Kevin E; Olk, Daniel C; Sawyer, John E; Six, Johan

2015-09-01

Labile, 'high-quality', plant litters are hypothesized to promote soil organic matter (SOM) stabilization in mineral soil fractions that are physicochemically protected from rapid mineralization. However, the effect of litter quality on SOM stabilization is inconsistent. High-quality litters, characterized by high N concentrations, low C/N ratios, and low phenol/lignin concentrations, are not consistently stabilized in SOM with greater efficiency than 'low-quality' litters characterized by low N concentrations, high C/N ratios, and high phenol/lignin concentrations. Here, we attempt to resolve these inconsistent results by developing a new conceptual model that links litter quality to the soil C saturation concept. Our model builds on the Microbial Efficiency-Matrix Stabilization framework (Cotrufo et al., 2013) by suggesting the effect of litter quality on SOM stabilization is modulated by the extent of soil C saturation such that high-quality litters are not always stabilized in SOM with greater efficiency than low-quality litters. © 2015 John Wiley & Sons Ltd.

Surface stability and the selection rules of substrate orientation for optimal growth of epitaxial II-VI semiconductors

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

Yin, Wan-Jian; Department of Physics & Astronomy, and Wright Center for Photovoltaics Innovation and Commercialization, The University of Toledo, Toledo, Ohio 43606; Yang, Ji-Hui

2015-10-05

The surface structures of ionic zinc-blende CdTe (001), (110), (111), and (211) surfaces are systematically studied by first-principles density functional calculations. Based on the surface structures and surface energies, we identify the detrimental twinning appearing in molecular beam epitaxy (MBE) growth of II-VI compounds as the (111) lamellar twin boundaries. To avoid the appearance of twinning in MBE growth, we propose the following selection rules for choosing optimal substrate orientations: (1) the surface should be nonpolar so that there is no large surface reconstructions that could act as a nucleation center and promote the formation of twins; (2) the surfacemore » structure should have low symmetry so that there are no multiple equivalent directions for growth. These straightforward rules, in consistent with experimental observations, provide guidelines for selecting proper substrates for high-quality MBE growth of II-VI compounds.« less

Application of Thermo-Mechanical Measurements of Plastic Packages for Reliability Evaluation of PEMS

NASA Technical Reports Server (NTRS)

Sharma, Ashok K.; Teverovsky, Alexander

2004-01-01

Thermo-mechanical analysis (TMA) is typically employed for measurements of the glass transition temperature (Tg) and coefficients of thermal expansion (CTE) in molding compounds used in plastic encapsulated microcircuits (PEMs). Application of TMA measurements directly to PEMs allows anomalies to be revealed in deformation of packages with temperature, and thus indicates possible reliability concerns related to thermo-mechanical integrity and stability of the devices. In this work, temperature dependencies of package deformation were measured in several types of PEMs that failed environmental stress testing including temperature cycling, highly accelerated stress testing (HAST) in humid environments, and bum-in (BI) testing. Comparison of thermo-mechanical characteristics of packages and molding compounds in the failed parts allowed for explanation of the observed failures. The results indicate that TMA of plastic packages might be used for quality evaluation of PEMs intended for high-reliability applications.

The Oxidation Stability of Deuterated Esters.

DTIC Science & Technology

1983-01-01

UNCLASSIFIED FIG I1/8 NL ELL W 1328 jW 11111.25 . 1= W2. MICROCOP ROL6TO ES HR N. T 0A1 NU tAU 0 T NDfD GC-TR483-1 82 THE OXIDATION STABILITY OF DEUTERATED... Compounds .... 23 3.2.3 Differentiation of the Synergistic Effect of Alkali Metal Compounds from the Deuteration Effect ....... 27 3.2.4 Conclusion... Compounds ................ 25 4 Oxidation-Corrosion Tests: Comparison of Deuterated and Non-Deuterated Basestocks with Herc in presence of Ag + Al + Ti + Fe

Interaction of L-alanyl-L-valine and L-valyl-L-alanine with organic vapors: thermal stability of clathrates, sorption capacity and the change in the morphology of dipeptide films.

PubMed

Ziganshin, Marat A; Gubina, Nadezhda S; Gerasimov, Alexander V; Gorbatchuk, Valery V; Ziganshina, Sufia A; Chuklanov, Anton P; Bukharaev, Anastas A

2015-08-21

The strong effect of the amino acid sequence in L-alanyl-L-valine and L-valyl-L-alanine on their sorption properties toward organic compounds and water, and the thermal stability of the inclusion compounds of these dipeptides have been found. Generally, L-valyl-L-alanine has a greater sorption capacity for the studied compounds, but the thermal stability of the L-alanyl-L-valine clathrates is higher. Unusual selectivity of L-valyl-L-alanine for vapors of few chloroalkanes was observed. The correlation between the change in the surface morphology of thin film of dipeptides and stoichiometry of their clathrates with organic compounds was found. This discovery may be used to predict the influence of vapors on the morphology of films of short-chain oligopeptides.

Polymer-coated nanoparticles: Carrier platforms for hydrophobic water- and air-sensitive metallo-organic compounds.

PubMed

Valdeperez, Daniel; Wang, Tianqiang; Eußner, Jens P; Weinert, Bastian; Hao, Jianyuan; Parak, Wolfgang J; Dehnen, Stefanie; Pelaz, Beatriz

2017-03-01

Many of the relevant compounds for anticancer therapy are metal-based compounds (metallodrugs), being platinum-based drugs such as cisplatin, carboplatin (Paraplatin ® ), and oxaliplatin (Eloxatin ® ) the most widely used. Despite this, their application is limited by issues such as cell-acquired platinum resistance and manifold side effects following systemic delivery. Thus, the development of new metal-based compounds is highly needed. The catalytic properties of a variety of metal-based compounds are nowadays very well known, which opens new opportunities to take advantage of them inside living cells or organisms. However, many of these compounds are hydrophobic and thus not soluble in aqueous solution, as they lack stability against water or oxygen presence. Thus, versatile platforms capable of enhancing the features of these compounds in aqueous solutions are of importance in the development of new drugs. Surface engineered nanoparticles may render metallodrugs with good colloidal stability in water and in complex media containing high salt concentration and/or proteins. Herein, polymer coated nanoparticles are proposed as a platform to link insoluble and water/oxygen sensitive drugs. The linkage of insoluble and oxygen sensitive tin clusters to nanoparticles is presented, aiming to enhance both, the solubility and the stability of these compounds in water, which may be an alternative approach in the development of metal-based drugs. The formation of the cluster-nanoparticle system was confirmed via inductively coupled plasma mass spectrometry experiments. The catalytic activity and the stability of the cluster in water were studied through the reduction of methylene blue. Results demonstrate that in fact the tin clusters could be transferred into aqueous solution and retained their catalytic activity. Copyright © 2016 Elsevier Ltd. All rights reserved.

Formation of a compound flux rope by the merging of two filament channels, the associated dynamics, and its stability

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

Joshi, Navin Chandra; Inoue, Satoshi; Magara, Tetsuya, E-mail: navin@khu.ac.kr, E-mail: njoshi98@gmail.com

2014-11-01

We present observations of compound flux rope formation, which occurred on 2014 January 1, via merging of two nearby filament channels, the associated dynamics, and its stability using multiwavelength data. We also discuss the dynamics of cool and hot plasma moving along the newly formed compound flux rope. The merging started after the interaction between the southern leg of the northward filament and the northern leg of the southward filament at ≈01:21 UT and continued until a compound flux rope formed at ≈01:33 UT. During the merging, the cool filament plasma heated up and started to move along both sidesmore » of the compound flux rope, i.e., toward the north (≈265 km s{sup –1}) and south (≈118 km s{sup –1}) from the point of merging. After traveling a distance of ≈150 Mm toward the north, the plasma cooled down and started to return back to the south (≈14 km s{sup –1}) after ≈02:00 UT. The observations provide a clear example of compound flux rope formation via merging of two different flux ropes and the occurrence of a flare through tether cutting reconnection. However, the compound flux rope remained stable in the corona and had a confined eruption. The coronal magnetic field decay index measurements revealed that both the filaments and the compound flux rope axis lie within the stability domain (decay index <1.5), which may be the possible cause for their stability. The present study also deals with the relationship between the filament's chirality (sinistral) and the helicity (positive) of the surrounding flux rope.« less

Predicting human liver microsomal stability with machine learning techniques.

PubMed

Sakiyama, Yojiro; Yuki, Hitomi; Moriya, Takashi; Hattori, Kazunari; Suzuki, Misaki; Shimada, Kaoru; Honma, Teruki

2008-02-01

To ensure a continuing pipeline in pharmaceutical research, lead candidates must possess appropriate metabolic stability in the drug discovery process. In vitro ADMET (absorption, distribution, metabolism, elimination, and toxicity) screening provides us with useful information regarding the metabolic stability of compounds. However, before the synthesis stage, an efficient process is required in order to deal with the vast quantity of data from large compound libraries and high-throughput screening. Here we have derived a relationship between the chemical structure and its metabolic stability for a data set of in-house compounds by means of various in silico machine learning such as random forest, support vector machine (SVM), logistic regression, and recursive partitioning. For model building, 1952 proprietary compounds comprising two classes (stable/unstable) were used with 193 descriptors calculated by Molecular Operating Environment. The results using test compounds have demonstrated that all classifiers yielded satisfactory results (accuracy > 0.8, sensitivity > 0.9, specificity > 0.6, and precision > 0.8). Above all, classification by random forest as well as SVM yielded kappa values of approximately 0.7 in an independent validation set, slightly higher than other classification tools. These results suggest that nonlinear/ensemble-based classification methods might prove useful in the area of in silico ADME modeling.

Plants as natural antioxidants for meat products

NASA Astrophysics Data System (ADS)

Tomović, V.; Jokanović, M.; Šojić, B.; Škaljac, S.; Ivić, M.

2017-09-01

The meat industry is demanding antioxidants from natural sources to replace synthetic antioxidants because of the negative health consequences or beliefs regarding some synthetic ones. Plants materials provide good alternatives. Spices and herbs, generally used for their flavouring characteristics, can be added to meat products in various forms: whole, ground, or as isolates from their extracts. These natural antioxidants contain some active compounds, which exert antioxidative potential in meat products. This antioxidant activity is most often due to phenolic acids, phenolic diterpenes, flavonoids and volatile oils. Each of these compounds often has strong H-donating activity, thus making them extremely effective antioxidants; some compounds can chelate metals and donate H to oxygen radicals, thus slowing oxidation via two mechanisms. Numerous studies have demonstrated the efficacy of natural antioxidants when used in meat products. Based on this literature review, it can be concluded that natural antioxidants are added to fresh and processed meat and meat products to delay, retard, or prevent lipid oxidation, retard development of off-flavours (rancidity), improve colour stability, improve microbiological quality and extend shelf-life, without any damage to the sensory or nutritional properties.

Curcumin, a Compound from Natural Sources, a True Scientific Challenge - A Review.

PubMed

Stanić, Zorka

2017-03-01

Curcumin, a plant-derived polyphenolic compound, naturally present in turmeric (Curcuma longa), has been the subject of intensive investigations on account of its various activities. The implementation of safe, beneficial and highly functional compounds from natural sources in human nutrition/prevention/therapy requires some modifications in order to achieve their multi-functionality, improve their bioavailability and delivery strategies, with the main aim to enhance their effectiveness. The low aqueous solubility of curcumin, its rapid metabolism and elimination from the body, and consequently, poor bioavailability, constitute major obstacles to its application. The main objectives of this review are related to reported strategies to overcome these limitations and, thereby, improve the solubility, stability and bioavailability of curcumin. The effectiveness of curcumin could be greatly improved by using nanoparticle-based carriers. The significance of the quality of a substance delivery system is reflected in the fact that carrying curcumin as a food additive/nutrition also means carrying the active biological product/drug. This review summarizes the state of the art, and highlights some examples and the most significant advances in the field of curcumin research.

Preparation and Quality Control of the [153Sm]-Samarium Maltolate Complex as a Lanthanide Mobilization Product in Rats

PubMed Central

Naseri, Zohreh; Hakimi, Amir; Jalilian, Amir R.; Nemati Kharat, Ali; Bahrami-Samani, Ali; Ghannadi-Maragheh, Mohammad

2011-01-01

Development of lanthanide detoxification agents and protocols is of great importance in management of overdoses. Due to safety of maltol as a detoxifying agent in metal overloads, it can be used as a lanthanide detoxifying agent. In order to demonstrate the biodistribution of final complex, [153Sm]-samarium maltolate was prepared using Sm-153 chloride (radiochemical purity >99.9%; ITLC and specific activity). The stability of the labeled compound was determined in the final solution up to 24h as well as the partition coefficient. Biodistribution studies of Sm-153 chloride, [153Sm]-samarium maltolate were carried out in wild-type rats comparing the critical organ uptakes. Comparative study for Sm3+ cation and the labeled compound was conducted up to 48 h, demonstrating a more rapid wash out for the labeled compound. The effective and biological half lives of 2.3 h and 2.46h were calculated for the complex. The data suggest the detoxification property of maltol formulation for lanthanide overdoses. PMID:21773065

Estimating the Octanol/Water Partition Coefficient for Aliphatic Organic Compounds Using Semi-Empirical Electrotopological Index

PubMed Central

Souza, Erica Silva; Zaramello, Laize; Kuhnen, Carlos Alberto; Junkes, Berenice da Silva; Yunes, Rosendo Augusto; Heinzen, Vilma Edite Fonseca

2011-01-01

A new possibility for estimating the octanol/water coefficient (log P) was investigated using only one descriptor, the semi-empirical electrotopological index (ISET). The predictability of four octanol/water partition coefficient (log P) calculation models was compared using a set of 131 aliphatic organic compounds from five different classes. Log P values were calculated employing atomic-contribution methods, as in the Ghose/Crippen approach and its later refinement, AlogP; using fragmental methods through the ClogP method; and employing an approach considering the whole molecule using topological indices with the MlogP method. The efficiency and the applicability of the ISET in terms of calculating log P were demonstrated through good statistical quality (r > 0.99; s < 0.18), high internal stability and good predictive ability for an external group of compounds in the same order as the widely used models based on the fragmental method, ClogP, and the atomic contribution method, AlogP, which are among the most used methods of predicting log P. PMID:22072945

Estimating the octanol/water partition coefficient for aliphatic organic compounds using semi-empirical electrotopological index.

PubMed

Souza, Erica Silva; Zaramello, Laize; Kuhnen, Carlos Alberto; Junkes, Berenice da Silva; Yunes, Rosendo Augusto; Heinzen, Vilma Edite Fonseca

2011-01-01

A new possibility for estimating the octanol/water coefficient (log P) was investigated using only one descriptor, the semi-empirical electrotopological index (I(SET)). The predictability of four octanol/water partition coefficient (log P) calculation models was compared using a set of 131 aliphatic organic compounds from five different classes. Log P values were calculated employing atomic-contribution methods, as in the Ghose/Crippen approach and its later refinement, AlogP; using fragmental methods through the ClogP method; and employing an approach considering the whole molecule using topological indices with the MlogP method. The efficiency and the applicability of the I(SET) in terms of calculating log P were demonstrated through good statistical quality (r > 0.99; s < 0.18), high internal stability and good predictive ability for an external group of compounds in the same order as the widely used models based on the fragmental method, ClogP, and the atomic contribution method, AlogP, which are among the most used methods of predicting log P.

Iterative Stable Alignment and Clustering of 2D Transmission Electron Microscope Images

PubMed Central

Yang, Zhengfan; Fang, Jia; Chittuluru, Johnathan; Asturias, Francisco J.; Penczek, Pawel A.

2012-01-01

SUMMARY Identification of homogeneous subsets of images in a macromolecular electron microscopy (EM) image data set is a critical step in single-particle analysis. The task is handled by iterative algorithms, whose performance is compromised by the compounded limitations of image alignment and K-means clustering. Here we describe an approach, iterative stable alignment and clustering (ISAC) that, relying on a new clustering method and on the concepts of stability and reproducibility, can extract validated, homogeneous subsets of images. ISAC requires only a small number of simple parameters and, with minimal human intervention, can eliminate bias from two-dimensional image clustering and maximize the quality of group averages that can be used for ab initio three-dimensional structural determination and analysis of macromolecular conformational variability. Repeated testing of the stability and reproducibility of a solution within ISAC eliminates heterogeneous or incorrect classes and introduces critical validation to the process of EM image clustering. PMID:22325773

Stabilized Alumina/Ethanol Colloidal Dispersion for Seeding High Temperature Air Flows

NASA Technical Reports Server (NTRS)

Wernet, Judith H.; Wernet, Mark P.

1994-01-01

Seeding air flows with particles to enable measurements of gas velocities via laser anemometry and/or particle image velocimetry techniques can be quite exasperating. The seeding requirements are compounded when high temperature environments are encountered and special care must be used in selecting a refractory seed material. The pH stabilization techniques commonly employed in ceramic processing are used to obtain stable dispersions for generating aerosols of refractory seed material. By adding submicron alumina particles to a preadjusted pH solution of ethanol, a stable dispersion is obtained which when atomized produces a high quality aerosol. Commercial grade alumina powder is used with a moderate size distribution. The technique is not limited to alumina/ethanol and is also demonstrated with an alumina/H2O system. Other ceramic powders in various polar solvents could also be used once the point of zero charge (pH(sub pzc)) of the powder in the solvent has been determined.

Pharmaceutically active compounds in sludge stabilization treatments: anaerobic and aerobic digestion, wastewater stabilization ponds and composting.

PubMed

Martín, Julia; Santos, Juan Luis; Aparicio, Irene; Alonso, Esteban

2015-01-15

Sewage sludge disposal onto lands has been stabilized previously but still many pollutants are not efficiently removed. Special interest has been focused on pharmaceutical compounds due to their potential ecotoxicological effects. Nowadays, there is scarce information about their occurrence in different sludge stabilization treatments. In this work, the occurrence of twenty-two pharmaceutically active compounds has been studied in sludge from four sludge stabilization treatments: anaerobic digestion, aerobic digestion, composting and lagooning. The types of sludge evaluated were primary, secondary, anaerobically-digested and dehydrated, composted, mixed, aerobically-digested and dehydrated and lagoon sludge. Nineteen of the twenty-two pharmaceutically active compounds monitored were detected in sewage sludge. The most contaminated samples were primary sludge, secondary sludge and mixed sludge (the average concentrations of studied compounds in these sludges were 179, 310 and 142 μg/kg dm, respectively) while the mean concentrations found in the other types of sewage sludge were 70 μg/kg dm (aerobically-digested sludge), 63 μg/kg dm (lagoon sludge), 12 μg/kg dm (composted sludge) and 8 μg/kg dm (anaerobically-digested sludge). The antibiotics ciprofloxacin and norfloxacin were found at the highest concentration levels in most of the analyzed sludge samples (up to 2660 and 4328 μg/kg dm, respectively). Anaerobic-digestion treatment reduced more considerably the concentration of most of the studied compounds than aerobic-digestion (especially in the case of bezafibrate and fluoroquinolones) and more than anaerobic stabilization ponds (in the case of acetaminophen, atenolol, bezafibrate, carbamazepine, 17α-ethinylestradiol, naproxen and salicylic acid). Ecotoxicological risk assessment, of sludge application onto soils, has also been evaluated. Risk quotients, expressed as the ratio between the predicted environmental concentration and the predicted non-effect concentration, were lower than 1 for all the pharmaceutically active compounds so no significant risks are expected to occur due to the application of sewage sludge onto soils, except for 17α-ethinylestradiol when chronic toxicity was considered. Copyright © 2014 Elsevier B.V. All rights reserved.

[Mechanism of Tongsaimai tablet for atherosclerosis based on network pharmacology].

PubMed

Li, Na; Zhang, Xin-Zhuang; Wang, Yan-Ru; Cao, Liang; Ding, Gang; Wang, Zhen-Zhong; Xiao, Wei; Xu, Xiao-Jie

2016-05-01

Network pharmacology method was adopted in this study to explore the active compounds and mechanism of Tongsaimai tablets for atherosclerosis. In molecular docking and molecular-target protein network analysis, 97 molecules in Tongsaimai tablets showed good interaction with the atherosclerosis-related target protein (docking score ≥ 7), and 37 molecules of them could act on more than 2 targets (≥ 2) with higher betweenness, suggesting that these 37 molecules might be the main active compounds group in Tongsaimai tablets for atherosclerosis treatment. Furthermore, the predicted active compounds contained more flavonoids and saponins, reminding more attention should be paid on flavonoids and saponins in study of effective compounds and quality standards of Tongsaimai tablets. Targets network analysis showed that, the active compounds of Tongsaimai tablets could regulate inflammation, stabilize plaque, protect vascular endothelial cell, regulate blood lipid and inhibit blood coagulation through acting on the main 22 target proteins, such as Toll-like receptors (TLR1, TLR2), matrix metalloproteinase (MMP1, MMP2, MMP3, MMP9), angiotensin converting enzyme (ACE), leukotriene A4 hydrolase (LTA4-H), 5-lipoxidase (5-LOX), peroxisome proliferators-activated receptors (PPARα, PPARγ). These active compounds can participate in regulating different pathologic stages of atherosclerosis and thus treat atherosclerosis finally. This study revealed the main active compounds and possible mechanism of Tongsaimai tablets for treatment of atherosclerosis and meanwhile, verified the characteristics of multi-components, multi-targets and integral regulation for Tongsaimai tablets, providing theoretical references for the following systematic laboratory experiments on effective compounds and action mechanism of Tongsaimai Tablet. Copyright© by the Chinese Pharmaceutical Association.

COMDECOM: predicting the lifetime of screening compounds in DMSO solution.

PubMed

Zitha-Bovens, Emrin; Maas, Peter; Wife, Dick; Tijhuis, Johan; Hu, Qian-Nan; Kleinöder, Thomas; Gasteiger, Johann

2009-06-01

The technological evolution of the 1990s in both combinatorial chemistry and high-throughput screening created the demand for rapid access to the compound deck to support the screening process. The common strategy within the pharmaceutical industry is to store the screening library in DMSO solution. Several studies have shown that a percentage of these compounds decompose in solution, varying from a few percent of the total to a substantial part of the library. In the COMDECOM (COMpound DECOMposition) project, the compound stability of screening compounds in DMSO solution is monitored in an accelerated thermal, hydrolytic, and oxidative decomposition program. A large database with stability data is collected, and from this database, a predictive model is being developed. The aim of this program is to build an algorithm that can flag compounds that are likely to decompose-information that is considered to be of utmost importance (e.g., in the compound acquisition process and when evaluation screening results of library compounds, as well as in the determination of optimal storage conditions).

7 CFR 58.142 - Product quality and stability.

Code of Federal Regulations, 2010 CFR

2010-01-01

... production of the highest quality of finished product and improve product stability. Milk should not be more... 7 Agriculture 3 2010-01-01 2010-01-01 false Product quality and stability. 58.142 Section 58.142... Procedures § 58.142 Product quality and stability. The receiving, holding and processing of milk and cream...

Integrated, long term, sustainable, cost effective biosolids management at a large Canadian wastewater treatment facility.

PubMed

Leblanc, R J; Allain, C J; Laughton, P J; Henry, J G

2004-01-01

The Greater Moncton Sewerage Commission's 115,000 m3/d advanced, chemically assisted primary wastewater treatment facility located in New Brunswick, Canada, has developed an integrated, long term, sustainable, cost effective programme for the management and beneficial utilization of biosolids from lime stabilized raw sludge. The paper overviews biosolids production, lime stabilization, conveyance, and odour control followed by an indepth discussion of the wastewater sludge as a resource programme, namely: composting, mine site reclamation, landfill cover, land application for agricultural use, tree farming, sod farm base as a soil enrichment, topsoil manufacturing. The paper also addresses the issues of metals, pathogens, organic compounds, the quality control program along with the regulatory requirements. Biosolids capital and operating costs are presented. Research results on removal of metals from primary sludge using a unique biological process known as BIOSOL as developed by the University of Toronto, Canada to remove metals and destroy pathogens are presented. The paper also discusses an ongoing cooperative research project with the Université de Moncton where various mixtures of plant biosolids are composted with low quality soil. Integration, approach to sustainability and "cumulative effects" as part of the overall biosolids management strategy are also discussed.

Quality evaluation of Shenmaidihuang Pills based on the chromatographic fingerprints and simultaneous determination of seven bioactive constituents.

PubMed

Liu, Sifei; Zhang, Guangrui; Qiu, Ying; Wang, Xiaobo; Guo, Lihan; Zhao, Yanxin; Tong, Meng; Wei, Lan; Sun, Lixin

2016-12-01

In this study, we aimed to establish a comprehensive and practical quality evaluation system for Shenmaidihuang pills. A simple and reliable high-performance liquid chromatography coupled with photodiode array detection method was developed both for fingerprint analysis and quantitative determination. In fingerprint analysis, relative retention time and relative peak area were used to identify the common peaks in 18 samples for investigation. Twenty one peaks were selected as the common peaks to evaluate the similarities of 18 Shenmaidihuang pills samples with different manufacture dates. Furthermore, similarity analysis was applied to evaluate the similarity of samples. Hierarchical cluster analysis and principal component analysis were also performed to evaluate the variation of Shenmaidihuang pills. In quantitative analysis, linear regressions, injection precisions, recovery, repeatability and sample stability were all tested and good results were obtained to simultaneously determine the seven identified compounds, namely, 5-hydroxymethylfurfural, morroniside, loganin, paeonol, paeoniflorin, psoralen, isopsoralen in Shenmaidihuang pills. The contents of some analytes in different batches of samples indicated significant difference, especially for 5-hydroxymethylfurfural. So, it was concluded that the chromatographic fingerprint method obtained by high-performance liquid chromatography coupled with photodiode array detection associated with multiple compounds determination is a powerful and meaningful tool to comprehensively conduct the quality control of Shenmaidihuang pills. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chemical stability and in chemico reactivity of 24 fragrance ingredients of concern for skin sensitization risk assessment.

PubMed

Avonto, Cristina; Wang, Mei; Chittiboyina, Amar G; Vukmanovic, Stanislav; Khan, Ikhlas A

2018-02-01

Twenty-four pure fragrance ingredients have been identified as potential concern for skin sensitization. Several of these compounds are chemically unstable and convert into reactive species upon exposure to air or light. In the present work, a systematic investigation of the correlation between chemical stability and reactivity has been undertaken. The compounds were subjected to forced photodegradation for three months and the chemical changes were studied with GC-MS. At the end of the stability study, two-thirds of the samples were found to be unstable. The generation of chemically reactive species was investigated using the in chemico HTS-DCYA assay. Eleven and fourteen compounds were chemically reactive before and after three months, respectively. A significant increase in reactivity upon degradation was found for isoeugenol, linalool, limonene, lyral, citronellol and geraniol; in the same conditions, the reactivity of hydroxycitronellal decreased. The non-reactive compounds α-isomethyl ionone, benzyl alcohol, amyl cinnamal and farnesol became reactive after photo-oxidative degradation. Overall, forced degradation resulted in four non-reactive fragrance compounds to display in chemico thiol reactivity, while ten out of 24 compounds remained inactive. Chemical degradation does not necessarily occur with generation of reactive species. Non-chemical activation may be involved for the 10 stable unreactive compounds. Copyright © 2017 Elsevier Ltd. All rights reserved.

Formation process and mechanism of iron-nitride compounds on Si(1 1 1)-7 × 7-CH3OH surface

NASA Astrophysics Data System (ADS)

Li, Wenxin; Ding, Wanyu; Ju, Dongying; Tanaka, Ken-ichi; Komori, Fumio

2018-07-01

Fe atoms were deposited on Si(1 1 1)-7 × 7 restructured surface, which had been covered by CH3OH molecules. A newly formed surface is stabilized by a quasi-potential made by breaking, and adsorbed atoms or molecules can be stabilized by forming "quasi-compounds". Then, aim to greatly enhance the magnetic properties of the memory units, nitriding experiments were implemented on the existing Fe compounds. With the in-situ observation of STM, a series of Fe3N structures make up the newly emerged iron-nitride compounds, showing good linear characteristics. By adjusting the concentration, this study further explored its formation process and compounds models.

Evaluation of the Stability of Mercaptopurine Suspension Compounded in a Commercial Vehicle and the Determination of an Appropriate Beyond-use Date.

PubMed

Peacock, Gina F; Sauvageot, Jurgita; Hill, Ashley; Killian, Alyssa

2016-01-01

Mercaptopurine is commonly used to treat acute lymphoblastic leukemia and has historically been commercially available only in tablet form. Since tablets may be difficult for children and elderly patients to swallow, many pharmacists have compounded mercaptopurine suspensions. The U.S. Food and Drug Administration recently approved a commercial suspension, but it is not widely available at this time. Therefore, pharmacists may still need to compound mercaptopurine suspension for use in areas where it is not available or if the commercial suspension is in short supply. Stability studies must be conducted in order to assign appropriate beyond-use dates for compounded preparations. The objective of this study was to evaluate the stability of extemporaneously compounded suspensions using commercially available mercaptopurine tablets, as well as active pharmaceutical ingredient in a vehicle of Ora-Sweet and Ora-Plus (1:1) stored in plastic and glass containers at room temperature. Each mercaptopurine preparation was analyzed using a validated stability-indicating high-performance liquid chromatography method at the following time points: 0, 7, 14, 21, 30, 60, and 90 days. Suspensions were also observed for changes in appearance or odor, and pH was tested at each time point. The suspension compounded from Roxane generic tablets was extremely viscous and was therefore eliminated from the study. All other suspensions showed no observed physical changes and maintained greater than 93% of initial concentration of mercaptopurine for the entire study period.

Stability of Polyphenols Epigallocatechin Gallate and Pentagalloyl Glucose in a Simulated Digestive System

PubMed Central

Krook, Melanie A.; Hagerman, Ann E.

2012-01-01

Polyphenols found in foods and beverages are under intense scrutiny for their potential beneficial effects on human health. We examined the stability of two bioactive polyphenols, epigallocatechin-O-gallate (EGCg) and 1,2,3,4,6-penta-O-galloyl-β-D-glucopyranose (PGG), in a model digestive system at low oxygen tension with and without added digestive components and foods. Both compounds were stable at pH values of 5–6 and below, indicating gastric stability. Both compounds decomposed at pH 7.0. PGG was stabilized in a model system containing pepsin, pancreatin, bile and lipase, and/or baby food, but was not stabilized by dry cereal. EGCg was not stabilized by the addition of any biomolecule. The effects of polyphenols on human health should be evaluated in the context of their stability in the digestive tract with and without added digestive components and/or food. PMID:23028206

Heat stabilization of blood spot samples for determination of metabolically unstable drug compounds

PubMed Central

Blessborn, Daniel; Sköld, Karl; Zeeberg, David; Kaewkhao, Karnrawee; Sköld, Olof; Ahnoff, Martin

2014-01-01

Background Sample stability is critical for accurate analysis of drug compounds in biosamples. The use of additives to eradicate the enzymatic activity causing loss of these analytes has its limitations. Results A novel technique for sample stabilization by rapid, high-temperature heating was used. The stability of six commercial drugs in blood and blood spots was investigated under various conditions with or without heat stabilization at 95°C. Oseltamivir, cefotaxime and ribavirin were successfully stabilized by heating whereas significant losses were seen in unheated samples. Amodiaquine was stable with and without heating. Artemether and dihydroartemisinin were found to be very heat sensitive and began to decompose even at 60°C. Conclusion Heat stabilization is a viable technique to maintain analytes in blood spot samples, without the use of chemical additives, by stopping the enzymatic activity that causes sample degradation. PMID:23256470

Effect of stevia and citric acid on the stability of phenolic compounds and in vitro antioxidant and antidiabetic capacity of a roselle (Hibiscus sabdariffa L.) beverage.

PubMed

Pérez-Ramírez, Iza F; Castaño-Tostado, Eduardo; Ramírez-de León, José A; Rocha-Guzmán, Nuria E; Reynoso-Camacho, Rosalía

2015-04-01

Plant infusions are consumed due to their beneficial effects on health, which is attributed to their bioactive compounds content. However, these compounds are susceptible to degradation during processing and storage. The objective of this research was to evaluate the effect of stevia and citric acid on the stability of phenolic compounds, antioxidant capacity and carbohydrate-hydrolysing enzyme inhibitory activity of roselle beverages during storage. The optimum extraction conditions of roselle polyphenolic compounds was of 95 °C/60 min, which was obtained by a second order experimental design. The incorporation of stevia increased the stability of colour and some polyphenols, such as quercetin, gallic acid and rosmarinic acid, during storage. In addition, stevia decreased the loss of ABTS, DPPH scavenging activity and α-amylase inhibitory capacity, whereas the incorporation of citric acid showed no effect. These results may contribute to the improvement of technological processes for the elaboration of hypocaloric and functional beverages. Copyright © 2014 Elsevier Ltd. All rights reserved.

Performance of purified grape pomace as a fining agent to reduce the levels of some contaminants from wine.

PubMed

Jiménez-Martínez, María Dolores; Gil-Muñoz, Rocío; Gómez-Plaza, Encarna; Bautista-Ortín, Ana Belén

2018-03-30

The quality of red wine depends on the absence of compounds which may affect its safety and/or stability such as ochratoxin A, biogenic amines and some metals and trace compounds. The presence of ochratoxin A in musts and wines is due to fungal contamination of the grapes and has been classified as a possible human carcinogen. Biogenic amines are formed by the microbiological descarboxylation of the corresponding amino acid precursors during the fermentation or aging and storage, and, at high concentrations, they may induce adverse reactions in sensitive people. Trace elements may have both a nutritional and a toxic effect on health, but also can cause turbidity and stability problems. Their presence is affected mainly by natural factors such as soil mineral content and direct contact with tank surfaces and metallic tubing during winemaking. One of the best options to remove these compounds when present in excess in wine is fining. However, some fining agents commonly used may themselves present problems related with their allergenic properties or with their propensity to increase the protein content, which can cause turbidity problems. In an attempt to avoid such these problems, purified grape pomace was tested as a fining alternative since it has been seen to have a high capacity to reduce the astringency, turbidity and also the ochratoxin A content. The main aim of this work, therefore, was to study if this material can limit the presence of ochratoxin A, biogenic amines and metals and some trace elements in a Monastrell red wine, thus increasing the value and safety of this product.

The study of new complex compounds of Ni (II) and Co (II) with N- hydroxy-succinimide and their potential applications as sensors

NASA Astrophysics Data System (ADS)

Sibiescu, Doina; Tutulea, Mihaela-Dana; Mîţă, Carmen; Stan, Corneliu; Roţca, Ioan; Vizitiu, Mihaela

2010-11-01

In this paper, the study of obtaining new coordination compounds of Ni (II) and Co(II) using as ligand, N-hydroxy-succinimide, was presented. Also, the stability constants of these compounds in aqueous medium were determined. The obtaining conditions and the stability of the new compounds were accomplished in aqueous solutions using characteristic methods for coordination compounds: pH-metry, conductometry and UV-VIS absorption spectroscopy. The combination ratios and the stability constants were determined with methods characteristic for studies in solutions. From experimental data resulted that the combination ratio of central metallic atoms with the ligand N-hydroxy-succinimide was: 1:1 and respectively 1:2. In the experiments were used salts of NiCl2.6H2O and CoCl2.6H2O. The optimal domain of pH stability of the studied compounds is limited between 5.74 - 5.86 for Co- N-hydroxy-succinimide (for molar ratio 1:1 and 1:2) and respectively 5.69 - 5.87 for Ni-N-hydroxysuccinimide( for molar ratio 1:1 and 1:2, too). It is important to mention that these compounds were used with very good results in determination of wastewaters from textile, metallurgical, chemical and food industry. Complexion reactions with this ligand are very sensitive for the cations in this paper mentioned. Therefore it is used most often with success in analytical chemistry and also it is posibil to use as sensors. The new complex compounds has electronics transitions at λ = 517 nm for both complexes Co-N-hydroxy-succinimide at molar ratio 1:1 and 1:2 and also at the same λ = 397nm for Ni-N-hydroxysuccinimide at molar ratio 1:1 and 1:2. These complexes compounds was separated and recrystallized from aqueous solution. From the spectrophotometric data it was determined the type and the nature of the electronics transitions by Dq parameters.

Semiconducting compounds and devices incorporating same

DOEpatents

Marks, Tobin J; Facchetti, Antonio; Boudreault, Pierre-Luc; Miyauchi, Hiroyuki

2014-06-17

Disclosed are molecular and polymeric compounds having desirable properties as semiconducting materials. Such compounds can exhibit desirable electronic properties and possess processing advantages including solution-processability and/or good stability. Organic transistor and photovoltaic devices incorporating the present compounds as the active layer exhibit good device performance.

Semiconducting compounds and devices incorporating same

DOEpatents

Marks, Tobin J.; Facchetti, Antonio; Boudreault, Pierre-Luc; Miyauchi, Hiroyuki

2016-01-19

Disclosed are molecular and polymeric compounds having desirable properties as semiconducting materials. Such compounds can exhibit desirable electronic properties and possess processing advantages including solution-processability and/or good stability. Organic transistor and photovoltaic devices incorporating the present compounds as the active layer exhibit good device performance.

Luminescent macrocyclic lanthanide complexes

DOEpatents

Raymond, Kenneth N; Corneillie, Todd M; Xu, Jide

2014-05-20

The present invention provides a novel class of macrocyclic compounds as well as complexes formed between a metal (e.g., lanthanide) ion and the compounds of the invention. Preferred complexes exhibit high stability as well as high quantum yields of lanthanide ion luminescence in aqueous media without the need for secondary activating agents. Preferred compounds incorporate hydroxy-isophthalamide moieties within their macrocyclic structure and are characterized by surprisingly low, non-specific binding to a variety of polypeptides such as antibodies and proteins as well as high kinetic stability. These characteristics distinguish them from known, open-structured ligands.

Fractional kalman filter to estimate the concentration of air pollution

NASA Astrophysics Data System (ADS)

Vita Oktaviana, Yessy; Apriliani, Erna; Khusnul Arif, Didik

2018-04-01

Air pollution problem gives important effect in quality environment and quality of human’s life. Air pollution can be caused by nature sources or human activities. Pollutant for example Ozone, a harmful gas formed by NOx and volatile organic compounds (VOCs) emitted from various sources. The air pollution problem can be modeled by TAPM-CTM (The Air Pollution Model with Chemical Transport Model). The model shows concentration of pollutant in the air. Therefore, it is important to estimate concentration of air pollutant. Estimation method can be used for forecast pollutant concentration in future and keep stability of air quality. In this research, an algorithm is developed, based on Fractional Kalman Filter to solve the model of air pollution’s problem. The model will be discretized first and then it will be estimated by the method. The result shows that estimation of Fractional Kalman Filter has better accuracy than estimation of Kalman Filter. The accuracy was tested by applying RMSE (Root Mean Square Error).

The effects of organosulfur compounds upon the storage stability of Jet A fuel. M.S. Thesis. Final Report

NASA Technical Reports Server (NTRS)

Heneman, F. C.

1981-01-01

This study examined the effect of sulfur-containing compounds on the storage stability of Jet A turbine fuel. It was found that alkyl sulfides and disulfides increased the fuel's stability while all thiols and thiophene derivatives tested decreased fuel stability (increased deposit formation) at temperatures and sulfur concentrations selected. Linear Arrhenius plots of sulfur-spiked fuel samples demonstrated that deposit formation decreased with increased slope for all alkyl sulfides, alkyl disulfides, thiols, and thiophene derivatives. A plot of insoluble deposit vs. concentration of added alkyl sulfide produces a negative slope. It appears that the inhibiting mechanism for alkyl sulfides is a result of the compound's reactivity with intermediate soluble precursors to deposit in the fuel. A method of approximating the relative basicity of weak organosulfur bases was developed via measurement of their resonance chemical shifts in proton NMR. Linear plots of log gm. deposit vs. change in chemical shift (shift differences between sulfur bases neat and complexed with I2) were found for alkyl sulfides and alkyl thiols. This suggests the possibility that increased deposit formation is due to base catalysis with these compound classes.

Design, synthesis, and biological evaluation of 2-substituted-2,3,4,9-tetrahydrospiro-β-carboline-3-carboxylic acid derivatives as first-in-class mast cell stabilizers.

PubMed

Singh, Jatinder; Shah, Ramanpreet; Singh, Dhandeep; Jaggi, Amteshwar S; Singh, Nirmal

2018-05-01

Mast cell degranulation plays a momentous role in myriad diseases like asthma, eczema, allergic rhinitis, and conjunctivitis as well as anaphylactic shock; hence, there is an unmet need for developing new mast cells stabilizers. The reported mast cell stabilizers have a heterocyclic moiety and an acidic group. Furthermore, the role of tryptophan in suppression of mast cell activation is established. Hence, we prepared constrained analogs of tryptophan, which are derivatives of 2,3,4,9-tetrahydrospiro-β-carboline-3-carboxylic acid, and evaluated them for ex vivo inhibition of compound 48/80-induced mast degranulation activity. By comparing IC 50 (μM) values with that of the standard drug sodium cromoglycate (IC 50  = 0.489 ± 0.003 μM), compounds with bulky groups like heptyl (compound 9; IC 50  = 0.389 ± 0.015 μM) and octyl (compound 10; IC 50  = 0.354 ± 0.023 μM) were found to be of similar potency as sodium cromoglycate. Furthermore, the polar group-containing compounds like the chloropropyl (compound 16; IC 50  = 0.382 ± 0.083 μM) and benzoyl derivative (compound 14; IC 50  = 00.469 ± 0.032 μM) were also found to be of similar potency as sodium cromoglycate. This is a seminal study of spiro-β-carboline mast cell stabilization having a wider scope in mast cell research; yet, the mechanism of action remains elusive. © 2018 Deutsche Pharmazeutische Gesellschaft.

Pressure-stabilized binary compounds of magnesium and silicon

NASA Astrophysics Data System (ADS)

Huan, Tran Doan

2018-02-01

The family of binary compounds composed of magnesium and silicon is rather rich. In addition to the well-known magnesium silicide Mg2Si , other compounds, including MgSi2, Mg4Si7 , Mg5Si6 , MgSi, and Mg9Si5 , have also been identified and/or proposed in precipitated Al-Mg-Si solid solutions. Nevertheless, computational studies show that only Mg2Si is thermodynamically stable at ambient conditions while certain nonzero hydrostatic pressure can stabilize Mg9Si5 so that it can coexist with Mg2Si . We conduct a comprehensive search for viable binary compounds of MgxSi1 -x (1 /3 ≤x ≤2 /3 ) , discovering numerous low-energy structures for all the compounds. On one hand, we find that MgSi2, MgSi, and Mg9Si5 are likely pressure-stabilized materials, while, on the other hand, supporting previous studies, we raise doubt on the existence of Mg5Si6 , and claim that the existence of Mg4Si7 remains an open question. Therefore, we recommend that (hydrostatic and/or nonhydrostatic) pressure should be explicitly considered when discussing the stability of these solids (and maybe other solids as well) by computations. We also find that MgSi2 can potentially exhibit superconducting behaviors within a wide range of pressure with the critical temperature of up to 7 K.

Effects of koji fermented phenolic compounds on the oxidative stability of fish miso.

PubMed

Giri, Anupam; Osako, Kazufumi; Okamoto, Akira; Okazaki, Emiko; Ohshima, Toshiaki

2012-02-01

In the present study, Aspergillus oryzae-inoculated koji inhibited lipid oxidation in fermented fish paste rich in polyunsaturated fatty acids following a long fermentation period. The fermentation of koji by A. oryzae liberated several bioactive phenolic compounds, including kojic acid and ferulic acid, which were the most abundant. A linear correlation between several phenolic compounds and their bioactive properties, including their radical-scavenging activity, reducing power, metal-chelating activity, and ability to inhibit linoleic acid oxidation was observed. This suggested an important role of koji phenolics in the oxidative stability of fermented fish paste. The activities of different carbohydrate-cleaving enzymes, including α-amylase, cellulase, and β-glucosidase, were positively correlated with the liberation of several phenolic compounds through koji fermentation. Thus, the application of koji offers a novel strategy to enhance the oxidative stability of newly developed fermented fish miso. Application of traditional Japanese koji fermentation technique to develop an aroma enriched fish meat bases seasoning has been established. Aspergillus oryzae-inoculated koji releases several carbohydrate-cleaving enzymes, including α-amylase, cellulose, and β-glucosidase, which led to the liberation of several phenolic compounds during fermentation. Improvement of oxidative stability of the fermented fish meat paste by koji phenolics suggests a useful strategy to uplift the value of different trash fish meat-based seasoning through proper utilization of the present technique. © 2012 Institute of Food Technologists®

Kit for providing a technetium medical radioimaging agent

DOEpatents

Wildung, Raymond E.; Garland, Thomas R.; Li, Shu-Mei W.

2000-01-01

The present invention is directed toward a kit for microbial reduction of a technetium compound to form other compounds of value in medical imaging. The technetium compound is combined in a mixture with non-growing microbial cells which contain a technetium-reducing enzyme system, a stabilizing agent and an electron donor in a saline solution under anaerobic conditions. The mixture is substantially free of an inorganic technetium reducing agent and its reduction products. The resulting product is Tc of lower oxidation states, the form of which can be partially controlled by the stabilizing agent. It has been discovered that the microorganisms Shewanella alga, strain Bry and Shewanella putrifacians, strain CN-32 contain the necessary enzyme systems for technetium reduction and can form both mono nuclear and polynuclear reduced Tc species depending on the stabilizing agent.

Microbial methods of reducing technetium

DOEpatents

Wildung, Raymond E [Richland, WA; Garland, Thomas R [Greybull, WY; Gorby, Yuri A [Richland, WA; Hess, Nancy J [Benton City, WA; Li, Shu-Mei W [Richland, WA; Plymale, Andrew E [Richland, WA

2001-01-01

The present invention is directed toward a method for microbial reduction of a technetium compound to form other compounds of value in medical imaging. The technetium compound is combined in a mixture with non-growing microbial cells which contain a technetium-reducing enzyme system, a stabilizing agent and an electron donor in a saline solution under anaerobic conditions. The mixture is substantially free of an inorganic technetium reducing agent and its reduction products. The resulting product is Tc of lower oxidation states, the form of which can be partially controlled by the stabilizing agent. It has been discovered that the microorganisms Shewanella alga, strain Bry and Shewanelia putrifacians, strain CN-32 contain the necessary enzyme systems for technetium reduction and can form both mono nuclear and polynuclear reduced Tc species depending on the stabilizing agent.

Design and synthesis of dimethylaminomethyl-substituted curcumin derivatives/analogues: potent antitumor and antioxidant activity, improved stability and aqueous solubility compared with curcumin.

PubMed

Fang, Xubin; Fang, Lei; Gou, Shaohua; Cheng, Lin

2013-03-01

A series of dimethylaminomethyl-substituted curcumin derivatives/analogues were designed and synthesized. All compounds effectively inhibited HepG2, SGC-7901, A549 and HCT-116 tumor cell lines proliferation in MTT assay. Particularly, compounds 2a and 3d showed much better activity than curcumin against all of the four tumor cell lines. Antioxidant test revealed that these compounds had higher free radical scavenging activity than curcumin towards both DPPH and galvinoxyl radicals. Furthermore, the aqueous solubility and stability of the target compounds were also significantly improved compared with curcumin. Copyright © 2013 Elsevier Ltd. All rights reserved.

Lipid encapsulated phenolic compounds by fluidization

USDA-ARS?s Scientific Manuscript database

Phenolic compounds exhibit antioxidant and antimicrobial activities with applications as functional food and feed additives. Ferulic acid, a phenolic compound present in grain crops and lignocellulose biomass, was encapsulated with saturated triglycerides using a laboratory fluidizer. Stability of t...

Thermal Analysis Study of Antihypertensive Drugs Telmisartan and Cilazapril

PubMed Central

Saber, Refaat Ahmed; Attia, Ali Kamal; Salem, Waheed Mohamed

2014-01-01

Purpose: The aim of the present work is to study the thermal analysis of telmisartan and cilazapril. Methods: Thermogravimetry (TGA), derivative thermogravimetry (DTG) and differential thermal analysis (DTA) were used through the work to achieve the thermal analysis study of some antihypertensive drugs, telmisartan and cilazapril. Results: The results led to thermal stability data and also to the interpretation concerning the thermal decomposition. Thermogravimetry data allowed determination of the kinetic parameters such as, activation energy and frequency factor. Conclusion: The simplicity, speed and low operational costs of thermal analysis justify its application in the quality control of pharmaceutical compounds for medications. PMID:24754013

Influence of hydrogenated oil as cocoa butter replacers in the development of sugar-free compound chocolates: Use of inulin as stabilizing agent.

PubMed

Rodriguez Furlán, Laura T; Baracco, Yanina; Lecot, Javier; Zaritzky, Noemi; Campderrós, Mercedes E

2017-02-15

The effect of the addition of inulin as a surfactant or stability agent on white compound chocolate sweetened with sucralose and Stevia was studied. Samples were stored at 7, 15 and 30°C during 100days and the influence of inulin on rheological properties, sensorial attributes, shelf-life, physical properties such as melting, crystallization and blooming were analyzed. The shelf-life of the compound chocolate with the incorporation of inulin was higher than the control sample without replacement. Compound chocolate with inulin at 10%w/w showed a dense matrix structure, reducing the size and number of fat crystals formed during storage; furthermore they presented higher values of brightness and WI. This chocolate also showed less fracturability and improved thermal properties. DSC studies revealed increased values of onset and peak temperatures and enthalpy of melting of the polymorphic form V, at higher storage temperatures, achieving greater stability against degradation processes. Copyright © 2016 Elsevier Ltd. All rights reserved.

Discrepancy between infectivity and antigenicity stabilization of oral poliovirus vaccine by a capsid-binding compound.

PubMed Central

Andries, K; Rombaut, B; Dewindt, B; Boeyé, A

1994-01-01

Two hundred forty pyridazinamine derivatives were tested for the ability to stabilize the antigenicity and infectivity of oral poliovirus vaccine subjected to 45 degrees C for 2 h. Seven compounds stabilized the antigenicity of all three vaccine strains and neutralized the viral particles in a way that is reversible by dilution. Of these, R 77975 (pirodavir) was selected for vaccine potency tests. Sabin type 2 and type 3 strains were subjected to 4, 25, 42, and 45 degrees C for 1 week in the presence and absence of R 77975. Although R 77975 particularly stabilized the infectivity of the most thermolabile vaccine strain (Sabin type 3), the protection did not exceed that of 1 M MgCl2. When virus was inactivated in the absence of R 77975, the native or N antigenicity changed in H antigenicity. However, in the presence of the capsid-binding compound, N antigenicity was preserved in particles that had lost infectivity. PMID:8151800

Novel class of potential therapeutics that target ricin retrograde translocation.

PubMed

Redmann, Veronika; Gardner, Thomas; Lau, Zerlina; Morohashi, Keita; Felsenfeld, Dan; Tortorella, Domenico

2013-12-23

Ricin toxin, an A-B toxin from Ricinus communis, induces cell death through the inhibition of protein synthesis. The toxin binds to the cell surface via its B chain (RTB) followed by its retrograde trafficking through intracellular compartments to the ER where the A chain (RTA) is transported across the membrane and into the cytosol. Ricin A chain is transported across the ER membrane utilizing cellular proteins involved in the disposal of aberrant ER proteins by a process referred to as retrograde translocation. Given the current lack of therapeutics against ricin intoxication, we developed a high-content screen using an enzymatically attenuated RTA chimera engineered with a carboxy-terminal enhanced green fluorescent protein (RTA(E177Q)egfp) to identify compounds that target RTA retrograde translocation. Stabilizing RTA(E177Q)egfp through the inclusion of proteasome inhibitor produced fluorescent peri-nuclear granules. Quantitative analysis of the fluorescent granules provided the basis to discover compounds from a small chemical library (2080 compounds) with known bioactive properties. Strikingly, the screen found compounds that stabilized RTA molecules within the cell and several compounds limited the ability of wild type RTA to suppress protein synthesis. Collectively, a robust high-content screen was developed to discover novel compounds that stabilize intracellular ricin and limit ricin intoxication.

Formulation design of oral pediatric Acetazolamide suspension: dose uniformity and physico-chemical stability study.

PubMed

Santoveña, Ana; Suárez-González, Javier; Martín-Rodríguez, Cristina; Fariña, José B

2017-03-01

The formulation of an active pharmaceutical ingredient (API) as oral solution or suspension in pediatrics is a habitual practice, due to the non-existence of many commercialized medicines in pediatric doses. It is also the simplest way to prepare and administer them to this vulnerable population. The design of a formulation that assures the dose and the system stability depends on the physico-chemical properties of the API. In this study, we formulate a class IV API, Acetazolamide (AZM) as suspension for oral administration to pediatric population. The suspension must comply attributes of quality, safety and efficacy for this route of administration. We use simple compounding procedures, as well as fewer pure excipients, as recommended for children. Mass and uniformity content assays and physical and chemical stability studies were performed. To quantify the API an UPLC method was used. We verified the physico-chemical stability of the suspensions and that they passed the mass test of the European Pharmacopeia (EP), but not the dose uniformity test. This reveals that AZM must be formulated as liquid forms with a more complex system of excipients (not usually indicated in pediatrics), or otherwise solid forms capable of assuring uniformity of mass and dose for every dosage unit.

[Stability study of paediatric extemporaneous parenteral nutrition with lipids].

PubMed

Tuan, F; Montalto, M; Pell, Ma B; Bianchi, M; Pendica, S; Traverso, Ma L

2011-01-01

Stability of extemporaneous parenteral nutrition is a critical aspect of these formulations, with impact in patient safety and quality of service. In lipid emulsions physical stability can be assessed by the increase in the number of lipid globules of size superior than 500 nm, generated by coalescence of small globules during time. To determine medium size of the lipid globules that compose the internal phase of TNA, in order to evaluate its stability and establish beyond-use date of the parenteral nutrition. To evaluate distribution profile of the lipid globules in the parenteral nutrition and compare it with this of the lipid emulsion used as raw material. Globule size assessment by dynamic light scattering in a paediatric extemporaneous parenteral nutrition formula of frequent use, stored in different periods of time and temperatures. Medium globule size of the parenteral nutrition analyzed samples did not exceed the limit recommended by literature. Medium size and distribution of the lipid globules in the original lipid emulsion did not have significative changes after the compounding of the parenteral nutrition. Obtained data allow to consider that the extemporaneous parenteral nutrition evaluated would have a beyond-use date superior than the one now in use. This research must be deepened by the study of other formulas of parenteral nutrition in order to optimize the setting of beyond-use date.

Fundamental Studies and Isolation Strategies for Metal Compound Nanoclusters

DTIC Science & Technology

2009-02-28

probe nanocluster structure, bonding and stability, metal oxide, carbide and silicide clusters with up to 50 atoms were investigated with mass...transition metal compounds (carbides, oxides, silicides ) that are expected to have high stability, an essential property for their isolation...Metal carbide, oxide and silicide nanoclusters are studied in the size range from a few up to about 300 atoms. New infrared laser spectroscopy

Molecular Dynamics Simulations of Novel Potential Inhibitors for Penicillin Binding Protein 2B of the Resistant 5204 Strain of Streptococcus Pneumoniae.

PubMed

Suvaithenamudhan, Suvaiyarasan; Parthasarathy, Subbiah

2017-01-01

Top five best hit compounds (ZINC59376795, ZINC60175365, ZINC36922620, ZINC39550705 and ZINC36953975) were obtained through our high throughput virtual screening (HTVS) analysis with resistant 5204-PBP2B (5204 Penicillin Binding Protein 2B) and sensitive R6-PBP2B (R6 Penicillin Binding Protein 2B) proteins of Streptococcus pneumoniae. To gain insight in molecular docking and dynamics simulations of these top five best hit compounds with both resistant 5204-PBP2B and sensitive R6-PBP2B targets. We have employed Glide XP docking and molecular dynamics simulations of these five best hit compounds with 5204-PBP2B and R6-PBP2B targets. The stability analysis has been carried out through DFT, prime-MM/GBSA binding free energy, RMSD, RMSF and Principal Component Analysis. The reference drug, penicillin G forms stable complex with sensitive R6-PBP2B protein. Similar stability is observed for the mutant resistant 5204-PBP2B with the top scoring compound ZINC592376795 which implies that this compound may act as an effective potential inhibitor. The compound ZINC59376795 forms a total of five hydrogen bonds with resistant 5204-PBP2B protein of which three are with mutated residues. Similarly, the other four compounds including penicillin G also form hydrogen bonds with mutated residue. The MD simulations and stability analysis of the complexes of wild and mutant forms are evaluated for a trajectory period of 16ns and further MD simulations of ZINC59376795 with resistant 5204-PBP2B and sensitive R6-PBP2B confirmed the stability for 50 ns. These results suggest that the top five best hit compounds are found to be a promising gateway for the further development of anti-pneumococcal therapeutics. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

A Pilot Stability Study of Dehydroepiandrosterone Rapid-dissolving Tablets Prepared by Extemporaneous Compounding.

PubMed

Rush, Steven D; Vernak, Charlene; Zhao, Fang

2017-01-01

Dehydroepiandrosterone supplementation is used to treat a variety of conditions. Rapid-dissolving tablets are a relatively novel choice for compounded dehydroepiandrosterone dosage forms. While rapid-dissolving tablets offer ease of administration, there are uncertainties about the physical and chemical stability of the drug and dosage form during preparation and over long-term storage. This study was designed to evaluate the stability of dehydroepiandrosterone rapid-dissolving tablets just after preparation and over six months of storage. The Professional Compounding Centers of America rapid-dissolving tablet mold and base formula were used to prepare 10-mg strength dehydroepiandrosterone rapid-dissolving tablets. The formulation was heated at 100°C to 110°C for 30 minutes, released from the mold, and cooled at room temperature for 30 minutes. The resulting rapid-dissolving tablets were individually packaged in amber blister packs and stored in a stability chamber maintained at 25°C and 60% relative humidity. The stability samples were pulled at pre-determined time points for evaluation, which included visual inspection, tablet weight check, United States Pharmacopeia disintegration test, and stability-indicating high-performance liquid chromatography. The freshly prepared dehydroepiandrosterone rapiddissolving tablets exhibited satisfactory chemical and physical stability. Time 0 samples disintegrated within 40 seconds in water kept at 37°C. The high-performance liquid chromatographic results confirmed that the initial potency was 101.9% of label claim and that there was no chemical degradation from the heating procedure. Over six months of storage, there were no significant changes in visual appearance, physical integrity, or disintegration time for any of the stability samples. The high-performance liquid chromatographic results also indicated that dehydroepiandrosterone rapid-dissolving tablets retained >95% label claim with no detectable degradation products. The dehydroepiandrosterone rapid-dissolving tablets investigated in this pilot study were physically and chemically stable during preparation and over six months of storage at 25°C and 60% relative humidity. Copyright© by International Journal of Pharmaceutical Compounding, Inc.

Vibrational, NMR and UV-visible spectroscopic investigation and NLO studies on benzaldehyde thiosemicarbazone using computational calculations

NASA Astrophysics Data System (ADS)

Moorthy, N.; Prabakar, P. C. Jobe; Ramalingam, S.; Pandian, G. V.; Anbusrinivasan, P.

2016-04-01

In order to investigate the vibrational, electronic and NLO characteristics of the compound; benzaldehyde thiosemicarbazone (BTSC), the XRD, FT-IR, FT-Raman, NMR and UV-visible spectra were recorded and were analysed with the calculated spectra by using HF and B3LYP methods with 6-311++G(d,p) basis set. The XRD results revealed that the stabilized molecular systems were confined in orthorhombic unit cell system. The cause for the change of chemical and physical properties behind the compound has been discussed makes use of Mulliken charge levels and NBO in detail. The shift of molecular vibrational pattern by the fusing of ligand; thiosemicarbazone group with benzaldehyde has been keenly observed. The occurrence of in phase and out of phase molecular interaction over the frontier molecular orbitals was determined to evaluate the degeneracy of the electronic energy levels. The thermodynamical studies of the temperature region 100-1000 K to detect the thermal stabilization of the crystal phase of the compound were investigated. The NLO properties were evaluated by the determination of the polarizability and hyperpolarizability of the compound in crystal phase. The physical stabilization of the geometry of the compound has been explained by geometry deformation analysis.

Oxygen stabilized zirconium-vanadium-iron alloy

DOEpatents

Mendelsohn, Marshall H.; Gruen, Dieter M.

1982-01-01

An oxygen stabilized intermetallic compound having the formula (Zr.sub.1-x Ti.sub.x).sub.2-u (V.sub.1-y Fe.sub.y)O.sub.z where x=0.0 to 0.9, y=0.01 to 0.9, z=0.25 to 0.5 and u=0 to 1. The compound is capable of reversibly sorbing hydrogen at temperatures from -196.degree. C. to 200.degree. C. at pressures down to 10.sup.-6 torr. The compound is suitable for use as a hydrogen getter in low pressure, high temperature applications such as magnetic confinement fusion devices.

Oxygen-stabilized zirconium-vanadium-iron alloy

DOEpatents

Mendelsohn, M.H.; Gruen, D.M.

1981-06-16

An oxygen stabilized intermetallic compound is described which has the formula (Zr/sub 1-x/Ti/sub x/)/sub 2-u/(V/sub 1-y/Fe/sub y/)O/sub z/ where x = 0.0 to 0.9, y = 0.01 to 0.9, z = 0.25 to 0.5 and u = 0 to 1. The compound is capable of reversibly sorbing hydrogen at temperatures from -196/sup 0/C to 200/sup 0/C at pressures down to 10/sup -6/ torr. The compound is suitable for use as a hydrogen getter in low pressure, high temperature applications such as magnetic confinement fusion devices.

Quality Assurance and Quality Control, Part 2.

PubMed

Akers, Michael J

2015-01-01

The tragedy surrounding the New England Compounding Center and contaminated steroid syringe preparations clearly points out what can happen if quality-assurance and quality-control procedures are not strictly practiced in the compounding of sterile preparations. This article is part 2 of a two-part article on requirements to comply with United States Pharmacopeia general chapters <797> and <1163> with respect to quality assurance of compounded sterile preparations. Part 1 covered documentation requirements, inspection procedures, compounding accuracy checks, and part of a discussion on bacterial endotoxin testing. Part 2 covers sterility testing, the completion from part 1 on bacterial endotoxin testing, a brief dicussion of United States Pharmacopeia <1163>, and advances in pharmaceutical quality systems.

Apparatus for treatment of soils contaminated with organic pollutants

DOEpatents

Wickramanayake, Godage B.

1993-01-01

An apparatus for treating soil contaminated by organic compounds wherein an ozone containing gas is treated with acid to increase the stability of the ozone in the soil environment and the treated ozone applied to the contaminated soil in a manner adapted to decompose the organic compounds; one embodiment of the apparatus comprises a means to supply ozone as a gas-ozone mixture, a stability means to treat ozone obtained from the supply and distribution means to apply the stabilized gas-ozone to soil. The soil may be treated in situ or may be removed for treatment and refilled.

Portuguese Honeys from Different Geographical and Botanical Origins: A 4-Year Stability Study Regarding Quality Parameters and Antioxidant Activity.

PubMed

Soares, Sonia; Pinto, Diana; Rodrigues, Francisca; Alves, Rita C; Oliveira, M Beatriz P P

2017-08-11

Portuguese honeys (n = 15) from different botanical and geographical origins were analysed regarding their quality parameters (diastase activity, hydroxymethylfurfural content, moisture and pH), colour (L*, a*, b*) and antioxidant profile (total phenolics content, total flavonoids content, DPPH• scavenging activity, and ferric reducing power). The samples were analysed fresh and after 4-years of storage (at 25 °C and protected from light). The hydroxymethylfurfural content and diastase activity of the fresh samples were in accordance with the recommended values described in the legislation. In general, the antioxidant activity of the samples correlated more with the bioactive compounds content than with colour. The storage affected differently each individual sample, especially regarding the antioxidant profile. Nevertheless, although in general the lightness of the samples decreased (and the redness increased), after 4 years, 11 samples still presented acceptable diastase activity and hydroxymethylfurfural values.

Cold storage of 'Manzanilla de Sevilla' and 'Manzanilla Cacereña' mill olives from super-high density orchards.

PubMed

Morales-Sillero, Ana; Pérez, Ana G; Casanova, Laura; García, José M

2017-12-15

The suitability of the cold storage (2°C) of fruit to maintain the quality of 'Manzanilla de Sevilla' and 'Manzanilla Cacereña' intended for virgin olive oil extraction was investigated. This temperature was effective in keeping the best commercial category of oil quality in both manually harvested olives and in mechanically harvested 'Manzanilla Cacereña' fruits for 11days. Mechanical harvesting induced significant decreases in oxidative stability and in the main phenolic compounds contents in the oils during cold storage and, only initially, in the total volatiles, regardless of the cultivar considered. However, the contents of volatile esters, associated to fruity flavor, were always higher in the oils from mechanically harvested fruits. 'Manzanilla de Sevilla' oils exhibited higher total volatiles during fruit cold storage, regardless of the harvesting system used. Copyright © 2017 Elsevier Ltd. All rights reserved.

The influence of photocatalytic interior paints on indoor air quality

NASA Astrophysics Data System (ADS)

Auvinen, Joonas; Wirtanen, Leif

2008-06-01

A clean indoor air is important for the well-being and health of people. Lately, new photocatalytic paints have been launched on the market, which are claimed to have air-purifying effects. Photocatalysis initiates radical reactions. Radicals are formed when a photocatalyst (e.g. TiO2) is subjected to radiation. Typical radicals are the hydroxyl radical (radOH) and the superoxide radical (radO2-). Radicals cause chain reactions, which degrade and decompose organic compounds. The end products of these chain reactions are water and carbon dioxide, if the reactions are fully completed (mineralization). If mineralization does not take place, then a great number of side products can be formed, whose properties are not well understood. The side products of photocatalytic reactions can be permanent and stabile. The decomposition of indoor air impurities on the surface of photocatalytic paints is not obvious. The ability of photocatalytic indoor paints to reduce chemical indoor air impurities is the key issue of this study. Six different paints with different binder systems, such as lime, polyorganic siloxane, silica sol-gel and organic binders, were examined. The experiments were divided into three topics: degradation of an organic binder, photocatalytic decomposition of formaldehyde, and a volatile organic compound (VOC) mixture consisting of five different indoor air VOCs. All tests were carried out in an environmental test chamber under dynamic conditions. The test results indicate that many indoor pollutants are generated under normal- and UVA-light. Typical compounds formed include formaldehyde, acetone, acetaldehyde, etc. A clear decrease of formaldehyde or the VOC mixture concentration was not observed. All possibly generated compounds could not be collected or analyzed in this research project, but the measurements show that photocatalytic reactions do not generate only carbon dioxide and water. Photocatalytic decomposition of indoor air impurities can, however, produce many side products, which may be stabile and harmful.

In Vitro Metabolism and Stability of the Actinide Chelating Agent 3,4,3-LI(1,2-HOPO)

PubMed Central

Choi, Taylor A.; Furimsky, Anna M.; Swezey, Robert; Bunin, Deborah I.; Byrge, Patricia; Iyer, Lalitha V.; Chang, Polly Y.; Abergel, Rebecca J.

2015-01-01

The hydroxypyridinonate ligand 3,4,3-LI(1,2-HOPO) is currently under development for radionuclide chelation therapy. The preclinical characterization of this highly promising ligand comprised the evaluation of its in vitro properties, including microsomal, plasma, and gastrointestinal fluid stability, cytochrome P450 inhibition, plasma protein binding, and intestinal absorption using the Caco-2 cell line. When mixed with active human liver microsomes, no loss of parent compound was observed after 60 minutes, indicating compound stability in the presence of liver microsomal P450. At the tested concentrations, 3,4,3-LI(1,2-HOPO) did not significantly influence the activities of any of the cytochromal isoforms screened. Thus, 3,4,3-LI(1,2-HOPO) is unlikely to cause drug-drug interactions by inhibiting the metabolic clearance of co-administered drugs metabolized by these enzymes. Plasma protein binding assays revealed that the compound is protein-bound in dogs and less extensively in rats and humans. In the plasma stability study, the compound was stable after 1 h at 37°C in mouse, rat, dog, and human plasma samples. Finally, a bi-directional permeability assay demonstrated that 3,4,3-LI(1,2-HOPO) is not permeable across the Caco-2 monolayer, highlighting the need to further evaluate the effects of various compounds with known permeability enhancement properties on the permeability of the ligand in future studies. PMID:25727482

In vitro metabolism and stability of the actinide chelating agent 3,4,3-LI(1,2-HOPO).

PubMed

Choi, Taylor A; Furimsky, Anna M; Swezey, Robert; Bunin, Deborah I; Byrge, Patricia; Iyer, Lalitha V; Chang, Polly Y; Abergel, Rebecca J

2015-05-01

The hydroxypyridinonate ligand 3,4,3-LI(1,2-HOPO) is currently under development for radionuclide chelation therapy. The preclinical characterization of this highly promising ligand comprised the evaluation of its in vitro properties, including microsomal, plasma, and gastrointestinal fluid stability, cytochrome P450 inhibition, plasma protein binding, and intestinal absorption using the Caco-2 cell line. When mixed with active human liver microsomes, no loss of parent compound was observed after 60 min, indicating compound stability in the presence of liver microsomal P450. At the tested concentrations, 3,4,3-LI(1,2-HOPO) did not significantly influence the activities of any of the cytochromal isoforms screened. Thus, 3,4,3-LI(1,2-HOPO) is unlikely to cause drug-drug interactions by inhibiting the metabolic clearance of coadministered drugs metabolized by these enzymes. Plasma protein-binding assays revealed that the compound is protein-bound in dogs and less extensively in rats and humans. In the plasma stability study, the compound was stable after 1 h at 37°C in mouse, rat, dog, and human plasma samples. Finally, a bidirectional permeability assay demonstrated that 3,4,3-LI(1,2-HOPO) is not permeable across the Caco-2 monolayer, highlighting the need to further evaluate the effects of various compounds with known permeability enhancement properties on the permeability of the ligand in future studies. © 2015 Wiley Periodicals, Inc. and the American Pharmacists Association.

In Vitro Metabolism and Stability of the Actinide Chelating Agent 3,4,3-LI(1,2-HOPO)

DOE PAGES

Choi, Taylor A.; Furimsky, Anna M.; Swezey, Robert; ...

2015-02-27

We report that the hydroxypyridinonate ligand 3,4,3-LI(1,2-HOPO) is currently under development for radionuclide chelation therapy. The preclinical characterization of this highly promising ligand comprised the evaluation of its in vitro properties, including microsomal, plasma, and gastrointestinal fluid stability, cytochrome P450 inhibition, plasma protein binding, and intestinal absorption using the Caco-2 cell line. When mixed with active human liver microsomes, no loss of parent compound was observed after 60 minutes, indicating compound stability in the presence of liver microsomal P450. At the tested concentrations, 3,4,3-LI(1,2-HOPO) did not significantly influence the activities of any of the cytochromal isoforms screened. Thus, 3,4,3-LI(1,2-HOPO) ismore » unlikely to cause drug-drug interactions by inhibiting the metabolic clearance of co-administered drugs metabolized by these enzymes. Plasma protein binding assays revealed that the compound is protein-bound in dogs and less extensively in rats and humans. In the plasma stability study, the compound was stable after 1 h at 37°C in mouse, rat, dog, and human plasma samples. Finally, a bi-directional permeability assay demonstrated that 3,4,3-LI(1,2-HOPO) is not permeable across the Caco-2 monolayer, highlighting the need to further evaluate the effects of various compounds with known permeability enhancement properties on the permeability of the ligand in future studies.« less

In Vitro Metabolism and Stability of the Actinide Chelating Agent 3,4,3-LI(1,2-HOPO)

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

Choi, Taylor A.; Furimsky, Anna M.; Swezey, Robert

We report that the hydroxypyridinonate ligand 3,4,3-LI(1,2-HOPO) is currently under development for radionuclide chelation therapy. The preclinical characterization of this highly promising ligand comprised the evaluation of its in vitro properties, including microsomal, plasma, and gastrointestinal fluid stability, cytochrome P450 inhibition, plasma protein binding, and intestinal absorption using the Caco-2 cell line. When mixed with active human liver microsomes, no loss of parent compound was observed after 60 minutes, indicating compound stability in the presence of liver microsomal P450. At the tested concentrations, 3,4,3-LI(1,2-HOPO) did not significantly influence the activities of any of the cytochromal isoforms screened. Thus, 3,4,3-LI(1,2-HOPO) ismore » unlikely to cause drug-drug interactions by inhibiting the metabolic clearance of co-administered drugs metabolized by these enzymes. Plasma protein binding assays revealed that the compound is protein-bound in dogs and less extensively in rats and humans. In the plasma stability study, the compound was stable after 1 h at 37°C in mouse, rat, dog, and human plasma samples. Finally, a bi-directional permeability assay demonstrated that 3,4,3-LI(1,2-HOPO) is not permeable across the Caco-2 monolayer, highlighting the need to further evaluate the effects of various compounds with known permeability enhancement properties on the permeability of the ligand in future studies.« less

Oxidative stability of fermented meat products.

PubMed

Wójciak, Karolina M; Dolatowski, Zbigniew J

2012-04-02

Meat and meat products, which form a major part of our diet, are very susceptible to quality changes resulting from oxidative processes. Quality of fermented food products depends on the course of various physicochemical and biochemical processes. Oxidation of meat components in raw ripening products may be the result of enzymatic changes occurring as a result of activity of enzymes originating in tissues and microorganisms, as well as lipid peroxidation by free radicals. Primary and secondary products of lipid oxidation are extremely reactive and react with other components of meat, changing their physical and chemical properties. Oxidised proteins take on a yellowish, red through brown hue. Products of lipid and protein degradation create a specific flavour and aroma ; furthermore, toxic substances (such as biogenic amines or new substances) are formed as a result of interactions between meat components, e.g. protein-lipid or protein-protein combinations, as well as transverse bonds in protein structures. Oxidation of meat components in raw ripening products is a particularly difficult process. On the one hand it is essential, since the enzymatic and non-enzymatic lipid oxidation creates flavour and aroma compounds characteristic for ripening products; on the other hand excessive amounts or transformations of those compounds may cause the fermented meat product to become a risk to health.

Simultaneous characterization and quantification of 17 main compounds in Rabdosia rubescens by high performance liquid chromatography.

PubMed

Guo, Sen; Cui, Xueqin; Jiang, Mi; Bai, Lu; Tian, Xiao; Guo, Tiantian; Liu, Qingchao; Zhang, Li; Ho, Chi-Tang; Bai, Naisheng

2017-04-01

Rabdosia rubescens is a healthy herbal tea and well-known Chinese medicinal herb. To evaluate the quality of R. rubescens from China, a high performance liquid chromatography method with dual-wavelength detection was developed and validated. The method was successfully applied for the simultaneous characterization and quantification of 17 main constituents from four different cultivation regions in China. Under optimal conditions, analysis was performed on a Luna C-18 column and gradient elution with a solvent system of acetonitrile and 0.5% (v/v) acetic acid-water at a flow rate of 1.0 mL/min and wavelength of 220 nm and 280 nm. All standard calibration curves exhibited good linearity (r 2  > 0.9992) within the test ranges. The precision was evaluated by intraday and interday tests, which revealed relative standard deviation values within the ranges of 0.57-2.35% and 0.52-3.40%, respectively. The recoveries were in the range of 96.37-101.66%. The relative standard deviation values for stability and repeatability were < 5%. The contents of some compounds were low and varied with different cultivars. The proposed method could serve as a prerequisite for quality control of R. rubescens materials and products. Copyright © 2016. Published by Elsevier B.V.

G-quadruplex-interacting compounds alter latent DNA replication and episomal persistence of KSHV

PubMed Central

Madireddy, Advaitha; Purushothaman, Pravinkumar; Loosbroock, Christopher P.; Robertson, Erle S.; Schildkraut, Carl L.; Verma, Subhash C.

2016-01-01

Kaposi's sarcoma associated herpesvirus (KSHV) establishes life-long latent infection by persisting as an extra-chromosomal episome in the infected cells and by maintaining its genome in dividing cells. KSHV achieves this by tethering its epigenome to the host chromosome by latency associated nuclear antigen (LANA), which binds in the terminal repeat (TR) region of the viral genome. Sequence analysis of the TR, a GC-rich DNA element, identified several potential Quadruplex G-Rich Sequences (QGRS). Since quadruplexes have the tendency to obstruct DNA replication, we used G-quadruplex stabilizing compounds to examine their effect on latent DNA replication and the persistence of viral episomes. Our results showed that these G-quadruplex stabilizing compounds led to the activation of dormant origins of DNA replication, with preferential bi-directional pausing of replications forks moving out of the TR region, implicating the role of the G-rich TR in the perturbation of episomal DNA replication. Over time, treatment with PhenDC3 showed a loss of viral episomes in the infected cells. Overall, these data show that G-quadruplex stabilizing compounds retard the progression of replication forks leading to a reduction in DNA replication and episomal maintenance. These results suggest a potential role for G-quadruplex stabilizers in the treatment of KSHV-associated diseases. PMID:26837574

In Vitro Plasma Stability, Permeability and Solubility of Mercaptoacetamide Histone Deacetylase Inhibitors

PubMed Central

Konsoula, Roula; Jung, Mira

2008-01-01

Histone deacetylase inhibitors (HDACIs) are emerging as a new class of therapeutic agents with potent antitumor activities in a broad spectrum of human cancers. In this study, the in vitro plasma stability, permeability, solubility, and lipophilicity (logD) of two mercaptoacetamide-based HDACIs (coded as W2 and S2) were evaluated and compared to Vorinostat (SAHA). The results demonstrated that the compounds manifested high solubility in HCl (pH 1.2) but lower in PBS (pH 7.4) than SAHA. Moreover, mercaptoacetamide-based HDACIs exhibited higher lipophilicity values compared to SAHA. The permeability of these compounds was evaluated using the Caco-2 cell monolayer as a model of the intestinal mucosa. The Caco-2 studies revealed that the compounds S2 and W2 are highly permeable with apparent permeability coefficients (Papp) in the apical to basolateral direction of 7.33 × 10−6 and 15.0 × 10−6 cm/s, respectively. The in vitro stability was determined in human, mouse, porcine and rat plasma. Data showed that the compound W2 is more stable in human and rat plasma and the S2 is more stable in all plasma species than SAHA. Taken together, these results indicate that the mercaptoacetamide-based HDACIs possess favorable solubility, lipophilicity, permeability and plasma stability features. PMID:18562136

Stability of lipid encapsulated phenolic acid particles

USDA-ARS?s Scientific Manuscript database

Phenolic compounds such as ferulic acid and p-coumaric acids are potential bioactive additives for use in animal feeds to replace current antioxidants and antimicrobial compounds. These compounds are ubiquitous in plants and may be obtained from commodity grain crops and waste biomass. Encapsulation...

Quality by design approach for the separation of naproxcinod and its related substances by fused core particle technology column.

PubMed

Inugala, Ugandar Reddy; Pothuraju, Nageswara Rao; Vangala, Ranga Reddy

2013-01-01

This paper describes the development of a rapid, novel, stability-indicating gradient reversed-phase high-performance liquid chromatographic method and associated system suitability parameters for the analysis of naproxcinod in the presence of its related substances and degradents using a quality-by-design approach. All of the factors that affect the separation of naproxcinod and its impurities and their mutual interactions were investigated and robustness of the method was ensured. The method was developed using an Ascentis Express C8 150 × 4.6 mm, 2.7 µm column with a mobile phase containing a gradient mixture of two solvents. The eluted compounds were monitored at 230 nm, the run time was 20 min within which naproxcinod and its eight impurities were satisfactorily separated. Naproxcinod was subjected to the stress conditions of oxidative, acid, base, hydrolytic, thermal and photolytic degradation. Naproxcinod was found to degrade significantly in acidic and basic conditions and to be stable in thermal, photolytic, oxidative and aqueous degradation conditions. The degradation products were satisfactorily resolved from the primary peak and its impurities, proving the stability-indicating power of the method. The developed method was validated as per International Conference on Harmonization guidelines with respect to specificity, linearity, limit of detection, limit of quantification, accuracy, precision and robustness.

An integrated approach to the evaluation of a metabolomic fingerprint for a phytocomplex. Focus on artichoke [Cynara cardunculus subsp. scolymus] leaf.

PubMed

Fodaroni, Giada; Burico, Michela; Gaetano, Anna; Maidecchi, Anna; Pagiotti, Rita; Mattoli, Luisa; Traldi, Pietro; Ragazzi, Eugenio

2014-04-01

The availability of reliable herbal formulations is essential in order to assure the maximal activity and to limit unwanted side-effects. The correct concentration of declared components of herbal products is a matter of health legislation and regulation, but is still a topic under debate in the field of quality control assessment. In the present work specific constituents of artichoke leaf extracts, considered as a test herbal product, were measured by standard spectrophotometric and HPLC methods (for quantitative determination of some components only), and results were correlated with the ESI-MS (showing the full metabolomic fingerprint). Phytocomplex stability over time was also investigated in batches submitted to different storage conditions. The results indicated excellent agreement between the two approaches in the measurement of total caffeoylquinic acids and chlorogenic acid contents, but the metabolomic ESI-MS method approach provides a more complete evaluation and monitoring of the composition of a herbal product, without focusing only on a single/few compound measurements. Therefore, the ESI-MS method can be proposed for the evaluation of the quality of complex matrices, such as those in a phytocomplex. Another aspect lies in the possibility to obtain a broad-spectrum stability control of herbal formulations, requiring minimal sample pre-processing procedures.

Real-time eye motion correction in phase-resolved OCT angiography with tracking SLO

PubMed Central

Braaf, Boy; Vienola, Kari V.; Sheehy, Christy K.; Yang, Qiang; Vermeer, Koenraad A.; Tiruveedhula, Pavan; Arathorn, David W.; Roorda, Austin; de Boer, Johannes F.

2012-01-01

In phase-resolved OCT angiography blood flow is detected from phase changes in between A-scans that are obtained from the same location. In ophthalmology, this technique is vulnerable to eye motion. We address this problem by combining inter-B-scan phase-resolved OCT angiography with real-time eye tracking. A tracking scanning laser ophthalmoscope (TSLO) at 840 nm provided eye tracking functionality and was combined with a phase-stabilized optical frequency domain imaging (OFDI) system at 1040 nm. Real-time eye tracking corrected eye drift and prevented discontinuity artifacts from (micro)saccadic eye motion in OCT angiograms. This improved the OCT spot stability on the retina and consequently reduced the phase-noise, thereby enabling the detection of slower blood flows by extending the inter-B-scan time interval. In addition, eye tracking enabled the easy compounding of multiple data sets from the fovea of a healthy volunteer to create high-quality eye motion artifact-free angiograms. High-quality images are presented of two distinct layers of vasculature in the retina and the dense vasculature of the choroid. Additionally we present, for the first time, a phase-resolved OCT angiogram of the mesh-like network of the choriocapillaris containing typical pore openings. PMID:23304647

Integrating a post-column makeup pump into preparative supercritical fluid chromatography systems to address stability and recovery issues during purifications.

PubMed

Bajpai, Lakshmikant; Naidu, Harshavardhan; Asokan, Kathiravan; Shaik, Khaja Mohiddin; Kaspady, Mahammed; Arunachalam, Piramanayagam; Wu, Dauh-Rurng; Mathur, Arvind; Sarabu, Ramakanth

2017-08-18

Purification of many pharmaceutical compounds by supercritical fluid chromatography (SFC) has always been challenging because of degradation of compound during the isolation step in the presence of acidic or basic modifiers in the mobile phase. Stability of such acid or base-sensitive compounds could be improved by post-column addition of a solvent containing base or acid modifier as counter ion through a make-up pump respectively to neutralize the compound fraction without affecting the resolution. One such case study has been presented in this work where the stability of a base-sensitive compound was addressed by the addition of acidic co-solvent through the make-up pump. Details of this setup and the investigation of degradation of the in-house base-sensitive compound are discussed in this paper. In addition, poor retentivity and low recovery of many non-polar compounds in SFC eluting under low co-solvent percentage is another major concern. Even though the desired separation could be achieved with low percentage of co-solvent, it's difficult to get the proper recovery after purification due to precipitation of the sample and significant aerosol formation inside the cyclone. We have demonstrated the first-time use of a post-column make-up pump on SFC 350 system to introduce additional solvent prior to cyclone to avoid the precipitation, reduce the aerosol formation and thus improve the recovery of non-polar compounds eluting under less than 10% of co-solvent. Copyright © 2017 Elsevier B.V. All rights reserved.

Model based on GRID-derived descriptors for estimating CYP3A4 enzyme stability of potential drug candidates

NASA Astrophysics Data System (ADS)

Crivori, Patrizia; Zamora, Ismael; Speed, Bill; Orrenius, Christian; Poggesi, Italo

2004-03-01

A number of computational approaches are being proposed for an early optimization of ADME (absorption, distribution, metabolism and excretion) properties to increase the success rate in drug discovery. The present study describes the development of an in silico model able to estimate, from the three-dimensional structure of a molecule, the stability of a compound with respect to the human cytochrome P450 (CYP) 3A4 enzyme activity. Stability data were obtained by measuring the amount of unchanged compound remaining after a standardized incubation with human cDNA-expressed CYP3A4. The computational method transforms the three-dimensional molecular interaction fields (MIFs) generated from the molecular structure into descriptors (VolSurf and Almond procedures). The descriptors were correlated to the experimental metabolic stability classes by a partial least squares discriminant procedure. The model was trained using a set of 1800 compounds from the Pharmacia collection and was validated using two test sets: the first one including 825 compounds from the Pharmacia collection and the second one consisting of 20 known drugs. This model correctly predicted 75% of the first and 85% of the second test set and showed a precision above 86% to correctly select metabolically stable compounds. The model appears a valuable tool in the design of virtual libraries to bias the selection toward more stable compounds. Abbreviations: ADME - absorption, distribution, metabolism and excretion; CYP - cytochrome P450; MIFs - molecular interaction fields; HTS - high throughput screening; DDI - drug-drug interactions; 3D - three-dimensional; PCA - principal components analysis; CPCA - consensus principal components analysis; PLS - partial least squares; PLSD - partial least squares discriminant; GRIND - grid independent descriptors; GRID - software originally created and developed by Professor Peter Goodford.

Inhibition by stabilization: targeting the Plasmodium falciparum aldolase-TRAP complex.

PubMed

Nemetski, Sondra Maureen; Cardozo, Timothy J; Bosch, Gundula; Weltzer, Ryan; O'Malley, Kevin; Ejigiri, Ijeoma; Kumar, Kota Arun; Buscaglia, Carlos A; Nussenzweig, Victor; Sinnis, Photini; Levitskaya, Jelena; Bosch, Jürgen

2015-08-20

Emerging resistance of the malaria parasite Plasmodium to current therapies underscores the critical importance of exploring novel strategies for disease eradication. Plasmodium species are obligate intracellular protozoan parasites. They rely on an unusual form of substrate-dependent motility for their migration on and across host-cell membranes and for host cell invasion. This peculiar motility mechanism is driven by the 'glideosome', an actin-myosin associated, macromolecular complex anchored to the inner membrane complex of the parasite. Myosin A, actin, aldolase, and thrombospondin-related anonymous protein (TRAP) constitute the molecular core of the glideosome in the sporozoite, the mosquito stage that brings the infection into mammals. Virtual library screening of a large compound library against the PfAldolase-TRAP complex was used to identify candidate compounds that stabilize and prevent the disassembly of the glideosome. The mechanism of these compounds was confirmed by biochemical, biophysical and parasitological methods. A novel inhibitory effect on the parasite was achieved by stabilizing a protein-protein interaction within the glideosome components. Compound 24 disrupts the gliding and invasive capabilities of Plasmodium parasites in in vitro parasite assays. A high-resolution, ternary X-ray crystal structure of PfAldolase-TRAP in complex with compound 24 confirms the mode of interaction and serves as a platform for future ligand optimization. This proof-of-concept study presents a novel approach to anti-malarial drug discovery and design. By strengthening a protein-protein interaction within the parasite, an avenue towards inhibiting a previously "undruggable" target is revealed and the motility motor responsible for successful invasion of host cells is rendered inactive. This study provides new insights into the malaria parasite cell invasion machinery and convincingly demonstrates that liver cell invasion is dramatically reduced by 95 % in the presence of the small molecule stabilizer compound 24.

An Automated High-Throughput Metabolic Stability Assay Using an Integrated High-Resolution Accurate Mass Method and Automated Data Analysis Software.

PubMed

Shah, Pranav; Kerns, Edward; Nguyen, Dac-Trung; Obach, R Scott; Wang, Amy Q; Zakharov, Alexey; McKew, John; Simeonov, Anton; Hop, Cornelis E C A; Xu, Xin

2016-10-01

Advancement of in silico tools would be enabled by the availability of data for metabolic reaction rates and intrinsic clearance (CLint) of a diverse compound structure data set by specific metabolic enzymes. Our goal is to measure CLint for a large set of compounds with each major human cytochrome P450 (P450) isozyme. To achieve our goal, it is of utmost importance to develop an automated, robust, sensitive, high-throughput metabolic stability assay that can efficiently handle a large volume of compound sets. The substrate depletion method [in vitro half-life (t1/2) method] was chosen to determine CLint The assay (384-well format) consisted of three parts: 1) a robotic system for incubation and sample cleanup; 2) two different integrated, ultraperformance liquid chromatography/mass spectrometry (UPLC/MS) platforms to determine the percent remaining of parent compound, and 3) an automated data analysis system. The CYP3A4 assay was evaluated using two long t1/2 compounds, carbamazepine and antipyrine (t1/2 > 30 minutes); one moderate t1/2 compound, ketoconazole (10 < t1/2 < 30 minutes); and two short t1/2 compounds, loperamide and buspirone (t½ < 10 minutes). Interday and intraday precision and accuracy of the assay were within acceptable range (∼12%) for the linear range observed. Using this assay, CYP3A4 CLint and t1/2 values for more than 3000 compounds were measured. This high-throughput, automated, and robust assay allows for rapid metabolic stability screening of large compound sets and enables advanced computational modeling for individual human P450 isozymes. U.S. Government work not protected by U.S. copyright.

Simultaneous determination of phthalates, their metabolites, alkylphenols and bisphenol A using GC-MS in urine of men with fertility problems.

PubMed

Kranvogl, Roman; Knez, Jure; Miuc, Alen; Vončina, Ernest; Vončina, Darinka Brodnjak; Vlaisavljević, Veljko

2014-01-01

A GC-MS method was successfully applied to measure simultaneously the concentrations of endocrine disrupting compounds (5 dialkyl phthalates, 9 phthalate monoesters, 3 alkylphenols and bisphenol A) in 136 male urine samples. In the present study the method was validated and concentrations of EDCs were determined. The results were compared with results from other studies. Correlations between endocrine disrupting compounds and also correlations of endocrine disrupting compounds with two semen quality parameters are presented and evaluated. Significant positive correlations were found between almost all the endocrine disrupting compounds. The parameter sum of DEHP (SUM DEHP) was positively correlated to all the endocrine disrupting compounds but negatively to two semen quality parameters. Negative correlations between the endocrine disrupting compounds and the semen quality parameters could indicate that endocrine disrupting compounds could cause reproductive problems by decreasing the semen count and quality. This research will have helped to evaluate human exposure to endocrine disrupting compounds.

Implementing DBS methodology for the determination of Compound A in monkey blood: GLP method validation and investigation of the impact of blood spreading on performance.

PubMed

Fan, Leimin; Lee, Jacob; Hall, Jeffrey; Tolentino, Edward J; Wu, Huaiqin; El-Shourbagy, Tawakol

2011-06-01

This article describes validation work for analysis of an Abbott investigational drug (Compound A) in monkey whole blood with dried blood spots (DBS). The impact of DBS spotting volume on analyte concentration was investigated. The quantitation range was between 30.5 and 10,200 ng/ml. Accuracy and precision of quality controls, linearity of calibration curves, matrix effect, selectivity, dilution, recovery and multiple stabilities were evaluated in the validation, and all demonstrated acceptable results. Incurred sample reanalysis was performed with 57 out of 58 samples having a percentage difference (versus the mean value) less than 20%. A linear relationship between the spotting volume and the spot area was drawn. The influence of spotting volume on concentration was discussed. All validation results met good laboratory practice acceptance requirements. Radial spreading of blood on DBS cards can be a factor in DBS concentrations at smaller spotting volumes.

Non-targeted metabolite profiling highlights the potential of strawberry leaves as a resource for specific bioactive compounds.

PubMed

Kårlund, Anna; Hanhineva, Kati; Lehtonen, Marko; McDougall, Gordon J; Stewart, Derek; Karjalainen, Reijo O

2017-05-01

The non-edible parts of horticultural crops, such as leaves, contain substantial amounts of valuable bioactive compounds which are currently only little exploited. For example, strawberry (Fragaria × ananassa) leaves may be a promising bioresource for diverse health-related applications. However, product standardization sets a real challenge, especially when the leaf material comes from varying cultivars. The first step towards better quality control of berry fruit leaf-based ingredients and supplements is to understand metabolites present and their stability in different plant cultivars, so this study surveyed the distribution of potentially bioactive strawberry leaf metabolites in six different strawberry cultivars. Non-targeted metabolite profiling analysis using LC/qTOF-ESI-MS with data processing via principal component analysis and k-means clustering analysis was utilized to examine differences and commonalities between the leaf metabolite profiles. Quercetin and kaempferol derivatives were the dominant flavonol groups in strawberry leaves. Previously described and novel caffeic and chlorogenic acid derivatives were among the major phenolic acids. In addition, ellagitannins were one of the distinguishing compound classes in strawberry leaves. In general, strawberry leaves also contained high levels of octadecatrienoic acid derivatives, precursors of valuable odour compounds. The specific bioactive compounds found in the leaves of different strawberry cultivars offer the potential for the selection of optimized leaf materials for added-value food and non-food applications. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

Simultaneous determination of gingerols and shogaol using capillary liquid chromatography and its application in discrimination of three ginger varieties from Indonesia.

PubMed

Rafi, Mohamad; Lim, Lee Wah; Takeuchi, Toyohide; Darusman, Latifah Kosim

2013-01-15

A new method using reversed phase capillary liquid chromatography was developed for simultaneous determination of four bioactive compounds found in ginger (Zingiber officinale) namely, 6-, 8-, 10-gingerol, and 6-shogaol. The separation of these four compounds was performed using C30 as the stationary phase and 60% acetonitrile as the mobile phase in isocratic elution mode with a flow rate of 5 μL/min. All four compounds were separated within 25 min with good resolution. As the evaluation of method validation, a linear regression of the four compounds was obtained within the tested range with correlation coefficients ≥ 0.9995. The limits of detection and quantitation were between 0.034-0.039 μg/mL and 0.112-0.129 μg/mL, respectively. Intra- and inter-day precision expressed as relative standard deviations (RSD) were less than 3.1%, and the accuracy based on recovery test was ranging from 97% to 105%. Stability of the analytes within 1 day was found in the range between 1.34% and 2.93% (RSD). In addition, based on the amount of these four compounds combining with the discriminant analysis, a reliable and accurate method was developed for discrimination of three ginger varieties found in Indonesia. The results indicated that the developed method could be used as quality control for ginger raw material and its related products. Copyright © 2012 Elsevier B.V. All rights reserved.

A new antioxidant beverage produced with green tea and apple.

PubMed

Rubio-Perez, Jose M; Vidal-Guevara, Maria L; Zafrilla, Pilar; Morillas-Ruiz, Juana M

2014-08-01

Green tea and apple are natural products with health benefits. These healthy properties are linked closely to the antioxidant compounds, mainly phenolic compounds. These antioxidant compounds have a potential for preventing and treating cancer, cardiovascular, inflammatory and neurodegenerative diseases in humans. The aim of the present work was to design a new beverage with high antioxidant power combining extracts of green tea and apple, studying the antioxidant composition and activity, organoleptic properties (colour) and stability status during storage at different temperatures. The majority compounds identified in the beverage were flavan-3-ols, being the (-)-epigallocatechin-3-gallate which had the highest concentration. After storage, floridzine was the compound with lower decrease of concentration. The new designed beverage had a good colour, and high antioxidant activity and stability at room temperature, so that the beverage needs no refrigeration, showing potential for the development of new healthy functional beverages.

Comparison and characterization of volatile compounds as markers of oils stability during frying by HS-SPME-GC/MS and Chemometric analysis.

PubMed

Ben Hammouda, Ibtissem; Freitas, Flavia; Ammar, Sonda; Da Silva, M D R Gomes; Bouaziz, Mohamed

2017-11-15

The formation and emission of volatile compounds, including the aldehydes and some toxic compounds of oil samples, ROPO pure (100%) and the blended ROPO/RCO (80-20%), were carried out during deep frying at 180°C. The volatile profile of both oil samples was evaluated by an optimized HS-SPME-GC/MS method, before and after 20, 40 and 60 successive sessions of deep-frying. Actually, from 100 detected compounds, aldehydes were found to be the main group formed. In addition, the oil degradation under thermal treatment regarding the volatile compounds were evaluated and compared. Consequently, the blended ROPO/RCO revealed fewer formations of unsaturated aldehydes, including toxic ones, such as acrolein, and showed a greater stability against oxidative thermal degradation compared to ROPO pure. Copyright © 2017 Elsevier B.V. All rights reserved.

Oxidative stability, phenolic compounds and antioxidant potential of a virgin olive oil enriched with natural bioactive compounds.

PubMed

Delgado-Adámez, Jonathan; Baltasar, M Nieves Franco; Yuste, María Concepción Ayuso; Martín-Vertedor, Daniel

2014-01-01

The aim of this research was to evaluate strategies for the development of a virgin olive oil (VOO) enriched with aqueous extracts of olive leaf and cake to increase the necessary dose in the diet of phenolic compounds with a natural product, as phenolic compounds are involved on the healthy properties of olive oil. Different extraction procedures were evaluated with the aim of increasing the phenol content and antioxidant potential of extracts of olive leaf and cake. As leaves extract presented a higher total phenolic content, it was characterized in order to determine its phenolic profile, and was employed to enrich VOO. Diverse procedures were used to prepare enriched VOO with the leaves extract, and finally the effects of phenol enrichment were evaluated based on the antioxidant potential and oxidative stability of the prepared phenol-enriched virgin olive oils. These enriched VOOs increased significantly the content in phenolic compounds, antioxidant potential and oxidative stability 40, 4 and 1.5 fold more, respectively, than the Control oil. Furthermore, the addition of lecithin had a positive effect both on the phenolic compounds content, and on the antioxidant potential of the oils. Besides, the use of the olive leaves extract, with and without lecithin respectively, supposes a strategy potential for reducing the harmful effects that inflicts long-term preservation of VOOs and its possible deterioration.

Structural investigation of (2E)-2-(ethoxycarbonyl)-3-[(4-methoxyphenyl)amino]prop-2-enoic acid: X-ray crystal structure, spectroscopy and DFT

NASA Astrophysics Data System (ADS)

Venkatesan, Perumal; Rajakannan, Venkatachalam; Venkataramanan, Natarajan S.; Ilangovan, Andivelu; Sundius, Tom; Thamotharan, Subbiah

2016-09-01

The title compound, (2E)-2-(ethoxycarbonyl)-3-[(4-methoxyphenyl)amino]prop-2-enoic acid is characterized by means of X-ray crystallography, spectroscopic methods and quantum chemical calculations. The title compound crystallizes in centrosymmetric space group P21/c. Moreover, the crystal structure is primarily stabilized through intramolecular Nsbnd H⋯O and Osbnd H⋯O and intermolecular Nsbnd H⋯O and Csbnd H⋯O interactions along with carbonyl⋯carbonyl and Csbnd H⋯C contacts. These intermolecular interactions are analysed and quantified by using Hirshfeld surface analysis, PIXEL energy, NBO, AIM and DFT calculations. The overall lattice energies of the title and parent compounds suggest that the title compound is stabilized by a 4.5 kcal mol-1 higher energy than the parent compound. The additional stabilization force comes from the methoxy substitution on the title molecule, which is evident since the methoxy group is involved in the intermolecular Csbnd H⋯O interaction as an acceptor. The vibrational modes of the interacting groups are investigated using both experimental and theoretical FT-IR and FT-Raman spectra. The experimental and theoretical UV-Vis spectra agree well. The time dependent DFT spectra show that the ligand-to-ligand charge transfer is responsible for the intense absorbance of the compound.

Influence of thermal treatment on the stability of phenolic compounds and the microbiological quality of sucrose solution following osmotic dehydration of highbush blueberry fruits.

PubMed

Kucner, Anna; Papiewska, Agnieszka; Klewicki, Robert; Sójka, Michał; Klewicka, Elżbieta

2014-01-01

Osmotic dehydration is a process of the partial removal of water which is based on immersion of material having cellular structure in a hypertonic solution. Osmotic dehydration is used as a pretreatment for the dehydration of foods before they are subjected to further processing such as freezing, freeze drying, vacuum drying. Management of spent syrup is one of the most important problems related to osmotic dewatering. Osmotic solutions are heavily polluted with of carbohydrates, remains of the dehydrated material and microorganisms. The aim of this study was to determine the effect of thermal treatment on the content of phenolic compounds and the microbiological quality of sucrose solution used in 15 cycles of osmotic dehydration of highbush blueberry (Vaccinium corymbosum L.) fruits. The tested material was 65.0 ±0.5°Brix sucrose solution used for 15 cycles of osmotic dehydration of highbush blueberry (Vaccinium corymbosum L.). Osmotic dehydration was conducted at 40°C for 120 min using fruits previously subjected to enzymatic pretreatment. The thermal treatment of sucrose solution was conducted at 70, 80, 90, 100 and 115°C for 20, 40 and 60 s. The sucrose solution was analysed in terms of total polyphenols, particular polyphenols using high performance liquid chromatography and microbiological analysis was subjected. Thermal treatment at 70-115°C for 20 s caused degradation of 8.5% to 12.7% of polyphenols, while as much as 23.1% of polyphenols were degraded at 115°C after 60 s. The present paper proposes heating parameters that are optimal from the point of view of phenolic compound retention and microbiological quality: thermal treatment of syrup at 100°C for 40 s. Under these conditions, total polyphenols retention was 94.5%, while the retention of individual phenolic compounds varied from 89.2% to 37.2%, and that of flavan-3-ols amounted to 89.5%. The studied manner of syrup treatment eliminated the problem of syrup contamination with yeasts and molds (reducing their levels to less than 1 CFU/mL).

Development of antioxidant packaging material by applying corn-zein to LLDPE film in combination with phenolic compounds.

PubMed

Park, Hye-Yeon; Kim, Sung-Jin; Kim, Ki Myong; You, Young-Sun; Kim, So Yeon; Han, Jaejoon

2012-10-01

Functional active packaging materials were successfully developed by incorporating antioxidant agents into corn-zein-laminated linear low-density polyethylene (LLDPE) film. The minimum effective concentrations of the active compounds (for example, thymol, carvacrol, eugenol) were determined and these compounds were then laminated into LLDPE films to develop corn-zein-laminated films with antioxidant agents. The release rate of antioxidant agents in gas and liquid media were determined along with the mechanical and water barrier properties of the films containing these compounds. Tensile strength and percentage elongation at break were reduced in the corn-zein-laminated LLDPE films when compared to typical LLDPE film. Furthermore, the ability of the corn-zein-laminated films to repel moisture decreased by approximately 12.2%, but was improved by incorporating hydrophobic antioxidant compounds in the corn-zein layer. Examination of release kinetics in the gas and liquid phases verified that antioxidants were effectively released from the films and inhibited oxidation during testing. Finally, the films were used for fresh ground beef packaging, and effectively inhibited lipid oxidation and had a positive effect on the color stability of beef patties during storage. These results indicate that the developed antioxidant films are a novel active packaging material that can be effectively implemented by the food industry to improve the quality and safety of foods. Zein protein, a by-product of corn processing industry, was laminated into plastic films in combination with natural phenolic compounds to develop antioxidant packaging films. The films demonstrated their efficient release patterns of antioxidant compounds, which are suitable for packaging applications and food protection. © 2012 Institute of Food Technologists®

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

Hong, Yongchun; Hensley, Alyssa; McEwen, Jean-Sabin

Catalytic fast pyrolysis is the most promising approach for biofuel production, due to its simple process and versatility to handle lignocellulosic biomass feedstocks with varying and complex compositions. Compared with in situ catalytic fast pyrolysis, ex situ catalytic pyrolysis has the flexibility of optimizing the pyrolysis step and catalytic process individually to improve the quality of pyrolysis oil (stability, oxygen content, acid number, etc.) and to maximize the carbon efficiency in the conversion of biomass to pyrolysis oil. Hydrodeoxygenation is one of the key catalytic functions in ex situ catalytic fast pyrolysis. Recently, Fe-based catalysts have been reported to exhibitmore » superior catalytic properties in hydrodeoxygenation of model compounds in pyrolysis oil, which potentially makes the ex situ pyrolysis of biomass commercially viable due to the abundance and low cost of Fe. Here, we briefly summarize the recent progress on Fe-based catalysts for hydrodeoxygenation of biomass, and provide perspectives on how to further improve Fe-based catalysts (activity and stability) for their potential applications in the emerging area of biomass conversion.« less

Level densities of residual nuclei from the reactions ^6Li on ^58Fe and ^7Li on ^57Fe

NASA Astrophysics Data System (ADS)

Oginni, Babatunde; Grimes, Steven; Voinov, Alexander; Adekola, Aderemi; Brune, Carl; Heinen, Zachary; Hornish, Michael; Massey, Thomas; Matei, Catalin; Carter, Don; O'Donnell, John

2008-04-01

The reactions ^6Li on ^58Fe and ^7Li on ^57Fe have been studied; these two reactions give the same compound nucleus, ^64Cu. The neutron, proton and alpha spectra were measured at backward angles, and the level densities of the residual nuclei from the particle evaporation spectra have been obtained. The contribution of the breakup mechanism to the reaction cross-section was studied from ^6Li on ^197Au reaction. The data obtained have been compared with Hauser Feshbach model calculations performed with HF and Empire codes. Three other reactions were also studied to see how level densities change as we move away from the nuclear stability line. These are: ^18O on ^64Ni reaction, this gives ^82Kr as compound nucleus which is on the stability line; ^24Mg on ^58Fe, this gives ^82Sr as compound nucleus and ^24Mg on ^58Ni which gives ^82Zr as compound nucleus; these are two and four steps away from the stability line respectively. Some results are presented.

Synthesis, fluorescence, TGA and crystal structure of thiazolyl-pyrazolines derived from chalcones

NASA Astrophysics Data System (ADS)

Suwunwong, T.; Chantrapromma, S.; Fun, H.-K.

2015-04-01

Thiazolyl-pyrazolines 3a-3d were synthesized in a three step procedure using chalcones as starting materials and characterized by FT-IR, UV-Vis, and 1H NMR techniques. The crystal structure of compound 3a was also determined by X-ray diffraction analysis. Compound 3a crystallized out in the orthorhombic P212121 space group with the unit cell dimensions: a = 5.2106(2) Å, b = 12.4341(5) Å, c = 33.3254(13) Å, α = β = γ = 90°, V = 2159.12(15) Å3, Z = 4, D cald = 1.372 M gm-3 and F(000) = 928. Fluorescence of 3a-3d were studied in solid state and acetonitrile solution. It was found that, these compounds exhibit the green fluorescence light (506-508 nm) in both solid and solution states. The pH stability on fluorescence property and the thermal gravimetric analysis of compound 3a were specifically carried out. It was revealed that 3a shows high thermal stability up to around 250°C and presenting high stability in various pH ranges in the acetonitrilewater matrix.

The Kinetic Mechanism for Cytochrome P450 Metabolism of Type II Binding Compounds: Evidence Supporting Direct Reduction

PubMed Central

Pearson, Joshua; Dahal, Upendra P.; Rock, Daniel; Peng, Chi-Chi; Schenk, James O.; Joswig-Jones, Carolyn; Jones, Jeffrey P.

2011-01-01

The metabolic stability of a drug is an important property that should be optimized during drug design and development. Nitrogen incorporation is hypothesized to increase the stability by coordination of nitrogen to the heme iron of cytochrome P450, a binding mode that is referred to as type II binding. However, we noticed that the type II binding compound 1 has less metabolic stability at subsaturating conditions than a closely related type I binding compound 3. Three kinetic models will be presented for type II binder metabolism; 1) Dead-end type II binding, 2) a rapid equilibrium between type I and II binding modes before reduction, and 3) a direct reduction of the type II coordinated heme. Data will be presented on reduction rates of iron, the off rates of substrate (using surface plasmon resonance) and the catalytic rate constants. These data argue against the dead-end, and rapid equilibrium models, leaving the direct reduction kinetic mechanism for metabolism of the type II binding compound 1. PMID:21530484

United States Air Force Summer Faculty Research Program (1984). Program Management Report. Volume 2.

DTIC Science & Technology

1984-12-01

temperature properties and thermal stability (2). Perfluorinated fluids which have excellent thermal and oxidative stabilities, have several disadvantages...fluids with improved properties, a Materials Laboratory Program has led to the development of a class of compounds called silahydrocarbons. These... compounds have excellent . . . !.vsct temperature proe operies a ifctdyi thera stbl t empraure xpec e to of 54C o 35°. Snteti hyroarbnsbasd n hdroentedp5y

QCScreen: a software tool for data quality control in LC-HRMS based metabolomics.

PubMed

Simader, Alexandra Maria; Kluger, Bernhard; Neumann, Nora Katharina Nicole; Bueschl, Christoph; Lemmens, Marc; Lirk, Gerald; Krska, Rudolf; Schuhmacher, Rainer

2015-10-24

Metabolomics experiments often comprise large numbers of biological samples resulting in huge amounts of data. This data needs to be inspected for plausibility before data evaluation to detect putative sources of error e.g. retention time or mass accuracy shifts. Especially in liquid chromatography-high resolution mass spectrometry (LC-HRMS) based metabolomics research, proper quality control checks (e.g. for precision, signal drifts or offsets) are crucial prerequisites to achieve reliable and comparable results within and across experimental measurement sequences. Software tools can support this process. The software tool QCScreen was developed to offer a quick and easy data quality check of LC-HRMS derived data. It allows a flexible investigation and comparison of basic quality-related parameters within user-defined target features and the possibility to automatically evaluate multiple sample types within or across different measurement sequences in a short time. It offers a user-friendly interface that allows an easy selection of processing steps and parameter settings. The generated results include a coloured overview plot of data quality across all analysed samples and targets and, in addition, detailed illustrations of the stability and precision of the chromatographic separation, the mass accuracy and the detector sensitivity. The use of QCScreen is demonstrated with experimental data from metabolomics experiments using selected standard compounds in pure solvent. The application of the software identified problematic features, samples and analytical parameters and suggested which data files or compounds required closer manual inspection. QCScreen is an open source software tool which provides a useful basis for assessing the suitability of LC-HRMS data prior to time consuming, detailed data processing and subsequent statistical analysis. It accepts the generic mzXML format and thus can be used with many different LC-HRMS platforms to process both multiple quality control sample types as well as experimental samples in one or more measurement sequences.

Stability of Chitosan—A Challenge for Pharmaceutical and Biomedical Applications

PubMed Central

Szymańska, Emilia; Winnicka, Katarzyna

2015-01-01

Chitosan—one of the natural multifunctional polymers—due to its unique and versatile biological properties is regarded as a useful compound in medical and pharmaceutical technology. Recently, considerable research effort has been made in order to develop safe and efficient chitosan products. However, the problem of poor stability of chitosan-based systems restricts its practical applicability; thus, it has become a great challenge to establish sufficient shelf-life for chitosan formulations. Improved stability can be assessed by controlling the environmental factors, manipulating processing conditions (e.g., temperature), introducing a proper stabilizing compound, developing chitosan blends with another polymer, or modifying the chitosan structure using chemical or ionic agents. This review covers the influence of internal, environmental, and processing factors on the long-term stability of chitosan products. The aim of this paper is also to highlight the latest developments which enable the physicochemical properties of chitosan-based applications to be preserved upon storage. PMID:25837983

Relative stability of radicals derived from artemisinin: A semiempirical and DFT study

NASA Astrophysics Data System (ADS)

Arantes, C.; de Araujo, M. T.; Taranto, A. G.; de M. Carneiro, J. W.

The semiempirical AM1 and PM3 methods, as well as the density functional (DFT/B3LYP) approach using the 6-31g(d) basis set, were employed to calculate the relative stability of intermediate radicals derived from artemisinin, a sesquiterpene lactone having an endoperoxide bridge that is essential for its antimalarial activity. The compounds studied have their nonperoxidic oxygen atom of the trioxane ring and/or the carbonyl group replaced by a CH2 unit. Relative stabilities were calculated by means of isodesmic equations using artemisinin as reference. It was found that replacement of oxygen atoms decreases the relative stability of the anionic radical intermediates. In contrast, for compounds with inverted stereochemistry the intermediate radicals were found to be more stable than those with the artemisinin-like stereochemistry. These relative stabilities may modulate the antimalarial potency. Radicals centered on carbon are always more stable than the corresponding radicals centered on oxygen.

The IP vs. VDE competition as a key factor determining the stability of the MgBX 5 (X = F, Cl) compounds

NASA Astrophysics Data System (ADS)

Sikorska, Celina; Skurski, Piotr

2010-11-01

The explanation of the MgBX 5 (X = F, Cl) systems existence and stability is provided on the basis of theoretical considerations supported by ab initio calculations. The equilibrium structures and most probable fragmentation processes of 26 (including isomers) MgBX 5 molecules and six OBX 5 compounds (for comparison) were examined and discussed. The competition between the ionization potential (IP) of the MgX subunit and the electron binding energy (VDE) of the BX 4 fragment was found to be the key factor determining the ability to form a stable compound of MgBX 5 type.

Stability of Two Antifungal Agents, Fluconazole and Miconazole, Compounded in HUMCO RECURA Topical Cream to Determine Beyond-Use Date.

PubMed

Gautam, Pradeep; Light, Bob; Purvis, Troy

2017-01-01

A novel compounding vehicle (RECURA) has previously been proven to penetrate the nail bed when compounded with the antifungal agent miconazole or fluconazole, providing for an effective treatment for onychomycosis. In this study, miconazole and fluconazole were compounded separately in RECURA compounding cream, and they were tested at different time points (0, 7, 14, 28, 45, 60, 90, and 180 days) to determine the beyond-use date of those formulations. The beyond-use date testing of both formulations (10% miconazole in RECURA and 10% fluconazole in RECURA) proved them to be physically, chemically, and microbiologically stable under International Conference of Harmonisation controlled room temperature (25°C ± 2°C/60% RH ±5%) for at least 180 days from the date of compounding. Stability-indicating analytical method validation was completed for the simultaneous determination of miconazole and fluconazole in RECURA base using high-performance liquid chromatography coupled with photodiode array detector prior to the study. Copyright© by International Journal of Pharmaceutical Compounding, Inc.

Stability and spatial arrangement of the 2,4-dichlorophenoxyacetic acid and β-cyclodextrin inclusion compound: A theoretical study

NASA Astrophysics Data System (ADS)

Pereira, Robson A.; Anconi, Cleber P. A.; Nascimento, Clebio S.; De Almeida, Wagner B.; Dos Santos, Hélio F.

2015-07-01

The present letter reports results from a comprehensive theoretical analysis of the inclusion process involving 2,4-dichlorophenoxyacetic acid (2,4-D) and β-cyclodextrin (β-CD) for which the experimental data of formation is available. Spatial arrangement and stabilization energies were evaluated in gas phase and aqueous solution through density functional theory (DFT) and through the use of SMD implicit solvation approach. The discussed methodology was applied to predict the stability and identify the most favorable form (deprotonated or neutral) as well as the most probable spatial arrangement of the studied inclusion compound.

Development and optimization of SPE-HPLC-UV/ELSD for simultaneous determination of nine bioactive components in Shenqi Fuzheng Injection based on Quality by Design principles.

PubMed

Wang, Lu; Qu, Haibin

2016-03-01

A method combining solid phase extraction, high performance liquid chromatography, and ultraviolet/evaporative light scattering detection (SPE-HPLC-UV/ELSD) was developed according to Quality by Design (QbD) principles and used to assay nine bioactive compounds within a botanical drug, Shenqi Fuzheng Injection. Risk assessment and a Plackett-Burman design were utilized to evaluate the impact of 11 factors on the resolutions and signal-to-noise of chromatographic peaks. Multiple regression and Pareto ranking analysis indicated that the sorbent mass, sample volume, flow rate, column temperature, evaporator temperature, and gas flow rate were statistically significant (p < 0.05) in this procedure. Furthermore, a Box-Behnken design combined with response surface analysis was employed to study the relationships between the quality of SPE-HPLC-UV/ELSD analysis and four significant factors, i.e., flow rate, column temperature, evaporator temperature, and gas flow rate. An analytical design space of SPE-HPLC-UV/ELSD was then constructed by calculated Monte Carlo probability. In the presented approach, the operating parameters of sample preparation, chromatographic separation, and compound detection were investigated simultaneously. Eight terms of method validation, i.e., system-suitability tests, method robustness/ruggedness, sensitivity, precision, repeatability, linearity, accuracy, and stability, were accomplished at a selected working point. These results revealed that the QbD principles were suitable in the development of analytical procedures for samples in complex matrices. Meanwhile, the analytical quality and method robustness were validated by the analytical design space. The presented strategy provides a tutorial on the development of a robust QbD-compliant quantitative method for samples in complex matrices.

Solid state stability and solubility of triethylenetetramine dihydrochloride.

PubMed

Henriet, Théo; Gana, Inès; Ghaddar, Carine; Barrio, Maria; Cartigny, Yohann; Yagoubi, Najet; Do, Bernard; Tamarit, Josep-Lluis; Rietveld, Ivo B

2016-09-10

The API triethylenetetramine dihydrochloride used as an alternative treatment of Wilson's disease is sensitive to water and it exhibits polymorphism. As this may become an issue for the drug formulation, the physical stability has been studied by differential scanning calorimetry, high-pressure thermal analysis, dynamic vapor sorption, and X-ray diffraction as a function of temperature. In addition, high-pressure liquid chromatography and mass spectrometry have been used to study the purity and chemical stability of the API. A pressure-temperature phase diagram of the pure compound has been constructed and it can be concluded that form II is monotropic in relation to form I, which is the only stable solid. The solubilities of the different solid forms have been determined with the help of a temperature - composition phase diagram. The API is very soluble, at 20° C about 10% of the saturated solution with respect to the dihydrate consists of API and the solubility of the pure form I is twice as high. Moreover, it has been shown that at 20°C, a relative humidity above 40% induces the formation of the dihydrate and at 70% a saturated solution appears. At higher temperatures, the formation of the dihydrate appears at lower relative humidity values. A clear link has been established between the API's chemical stability, its physical stability and the relative humidity in the air. Humidity levels above 40% are detrimental to the quality of the API. Copyright © 2016 Elsevier B.V. All rights reserved.

Analyzing compound and project progress through multi-objective-based compound quality assessment.

PubMed

Nissink, J Willem M; Degorce, Sébastien

2013-05-01

Compound-quality scoring methods designed to evaluate multiple drug properties concurrently are useful to analyze and prioritize output from drug-design efforts. However, formalized multiparameter optimization approaches are not widely used in drug design. We rank molecules synthesized in drug-discovery projects using simple and aggregated desirability functions reflecting medicinal chemistry 'rules'. Our quality score deals transparently with missing data, a key requirement in drug-hunting projects where data availability is often limited. We further estimate confidence in the interpretation of such a compound-quality measure. Scores and associated confidences provide systematic insight in the quality of emerging chemical equity. Tracking quality of synthetic output over time yields valuable insight into the progress of drug-design teams, with potential applications in risk and resource management of a drug portfolio.

Bioanalytical high-throughput selected reaction monitoring-LC/MS determination of selected estrogen receptor modulators in human plasma: 2000 samples/day.

PubMed

Zweigenbaum, J; Henion, J

2000-06-01

The high-throughput determination of small molecules in biological matrixes has become an important part of drug discovery. This work shows that increased throughput LC/MS/MS techniques can be used for the analysis of selected estrogen receptor modulators in human plasma where more than 2000 samples may be analyzed in a 24-h period. The compounds used to demonstrate the high-throughput methodology include tamoxifen, raloxifene, 4-hydroxytamoxifen, nafoxidine, and idoxifene. Tamoxifen and raloxifene are used in both breast cancer therapy and osteoporosis and have shown prophylactic potential for the reduction of the risk of breast cancer. The described strategy provides LC/MS/MS separation and quantitation for each of the five test articles in control human plasma. The method includes sample preparation employing liquid-liquid extraction in the 96-well format, an LC separation of the five compounds in less than 30 s, and selected reaction monitoring detection from low nano- to microgram per milliter levels. Precision and accuracy are determined where each 96-well plate is considered a typical "tray" having calibration standards and quality control (QC) samples dispersed through each plate. A concept is introduced where 24 96-well plates analyzed in 1 day is considered a "grand tray", and the method is cross-validated with standards placed only at the beginning of the first plate and the end of the last plate. Using idoxifene-d5 as an internal standard, the results obtained for idoxifene and tamoxifen satisfy current bioanalytical method validation criteria on two separate days where 2112 and 2304 samples were run, respectively. Method validation included 24-h autosampler stability and one freeze-thaw cycle stability for the extracts. Idoxifene showed acceptable results with accuracy ranging from 0.3% for the high quality control (QC) to 15.4% for the low QC and precision of 3.6%-13.9% relative standard deviation. Tamoxifen showed accuracy ranging from 1.6% to 13.8% and precision from 7.8% to 15.2%. The linear dynamic range for these compounds was 3 orders of magnitude. The limit of quantification was 5 and 50 ng/ mL for tamoxifen and idoxifene, respectively. The other compounds in this study in general satisfy the more relaxed bioanalytical acceptance criteria for modern drug discovery. It is suggested that the quantification levels reported in this high-throughput analysis example are adequate for many drug discovery and related early pharmaceutical studies.

Development and validation of a stability-indicating RP-HPLC method for assay of betamethasone and estimation of its related compounds.

PubMed

Fu, Qiang; Shou, Minshan; Chien, Dwight; Markovich, Robert; Rustum, Abu M

2010-02-05

Betamethasone (9alpha-fluoro-16beta-methylprednisolone) is one of the members of the corticosteriod family of active pharmaceutical ingredient (API), which is widely used as an anti-inflammatory agent and also as a starting material to manufacture various esters of betamethasone. A stability-indicating reverse-phase high performance liquid chromatography (RP-HPLC) method has been developed and validated which can separate and accurately quantitate low levels of 26 betamethasone related compounds. The stability-indicating capability of the method was demonstrated through adequate separation of all potential betamethasone related compounds from betamethasone and also from each other that are present in aged and stress degraded betamethasone stability samples. Chromatographic separation of betamethasone and its related compounds was achieved by using a gradient elution at a flow rate of 1.0mL/min on a ACE 3 C18 column (150mmx4.6mm, 3microm particle size, 100A pore size) at 40 degrees C. Mobile phase A of the gradient was 0.1% methanesulfonic acid in aqueous solution and mobile phase B was a mixture of tert-butanol and 1,4-dioxane (7:93, v/v). UV detection at 254nm was employed to monitor the analytes. For betamethasone 21-aldehyde, the QL and DL were 0.02% and 0.01% respectively. For betamethasone and the rest of the betamethasone related compounds, the QL and DL were 0.05% and 0.02%. The precision of betamethasone assay is 0.6% and the accuracy of betamethasone assay ranged from 98.1% to 99.9%.

7 CFR 58.142 - Product quality and stability.

Code of Federal Regulations, 2012 CFR

2012-01-01

... Procedures § 58.142 Product quality and stability. The receiving, holding and processing of milk and cream... accordance with clean and sanitary methods, consistent with good commercial practices to promote the production of the highest quality of finished product and improve product stability. Milk should not be more...

7 CFR 58.142 - Product quality and stability.

Code of Federal Regulations, 2011 CFR

2011-01-01

... Procedures § 58.142 Product quality and stability. The receiving, holding and processing of milk and cream... accordance with clean and sanitary methods, consistent with good commercial practices to promote the production of the highest quality of finished product and improve product stability. Milk should not be more...

7 CFR 58.142 - Product quality and stability.

Code of Federal Regulations, 2013 CFR

2013-01-01

... Procedures § 58.142 Product quality and stability. The receiving, holding and processing of milk and cream... accordance with clean and sanitary methods, consistent with good commercial practices to promote the production of the highest quality of finished product and improve product stability. Milk should not be more...

7 CFR 58.142 - Product quality and stability.

Code of Federal Regulations, 2014 CFR

2014-01-01

... Procedures § 58.142 Product quality and stability. The receiving, holding and processing of milk and cream... accordance with clean and sanitary methods, consistent with good commercial practices to promote the production of the highest quality of finished product and improve product stability. Milk should not be more...

Effect of antioxidant properties of lecithin emulsifier on oxidative stability of encapsulated bioactive compounds.

PubMed

Pan, Yuanjie; Tikekar, Rohan V; Nitin, N

2013-06-25

Oxidation of encapsulated bioactive compounds in emulsions is one of the key challenges that limit shelf life of emulsion containing products. Oxidation in these emulsions is triggered by permeation of free radicals generated at the emulsion interface. The objective of this study was to evaluate the role of antioxidant properties of common emulsifiers (lecithin and Tween 20) in reducing permeation of free radicals across the emulsion interface. Radical permeation rates were correlated with oxidative stability of a model bioactive compound (curcumin) encapsulated in these emulsions. Rate of permeation of peroxyl radicals from the aqueous phase to the oil phase of emulsion was inversely proportional to the antioxidant properties of emulsifiers. The rate of radical permeation was significantly higher (p<0.05) for emulsions stabilized using Tween 20 and oxidized lecithin compared to native lecithin that showed higher antioxidant activity. Free radical permeation rate correlated with stability of curcumin in emulsions and was significantly higher (p<0.05) in lecithin stabilized emulsions as compared to Tween 20 emulsions. Overall, this study demonstrates that antioxidant activity of emulsifiers significantly influences permeation of free radicals across the emulsion interface and the rate of oxidation of bioactive encapsulant. Copyright © 2013 Elsevier B.V. All rights reserved.

Optimum working fluids for solar powered Rankine cycle cooling of buildings

NASA Astrophysics Data System (ADS)

Wali, E.

1980-01-01

A number of fluids were screened for their operational reliability and thermal stability as working fluids for domestic solar Rankine cycle cooling. The results indicate that the halogenated compound R-113, followed by the fluorinated compound FC-88, is best suited for safe Rankine cycle operation. Further dynamic investigations are, however, needed to study the thermal stability of these fluids in the presence and absence of lubricants in copper, steel, and alloy conduits

G-quadruplex-interacting compounds alter latent DNA replication and episomal persistence of KSHV.

PubMed

Madireddy, Advaitha; Purushothaman, Pravinkumar; Loosbroock, Christopher P; Robertson, Erle S; Schildkraut, Carl L; Verma, Subhash C

2016-05-05

Kaposi's sarcoma associated herpesvirus (KSHV) establishes life-long latent infection by persisting as an extra-chromosomal episome in the infected cells and by maintaining its genome in dividing cells. KSHV achieves this by tethering its epigenome to the host chromosome by latency associated nuclear antigen (LANA), which binds in the terminal repeat (TR) region of the viral genome. Sequence analysis of the TR, a GC-rich DNA element, identified several potential Quadruplex G-Rich Sequences (QGRS). Since quadruplexes have the tendency to obstruct DNA replication, we used G-quadruplex stabilizing compounds to examine their effect on latent DNA replication and the persistence of viral episomes. Our results showed that these G-quadruplex stabilizing compounds led to the activation of dormant origins of DNA replication, with preferential bi-directional pausing of replications forks moving out of the TR region, implicating the role of the G-rich TR in the perturbation of episomal DNA replication. Over time, treatment with PhenDC3 showed a loss of viral episomes in the infected cells. Overall, these data show that G-quadruplex stabilizing compounds retard the progression of replication forks leading to a reduction in DNA replication and episomal maintenance. These results suggest a potential role for G-quadruplex stabilizers in the treatment of KSHV-associated diseases. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

The Thermochemical Stability of Ionic Noble Gas Compounds.

ERIC Educational Resources Information Center

Purser, Gordon H.

1988-01-01

Presents calculations that suggest stoichiometric, ionic, and noble gas-metal compounds may be stable. Bases calculations on estimated values of electron affinity, anionic radius for the noble gases and for the Born exponents of resulting crystals. Suggests the desirability of experiments designed to prepare compounds containing anionic,…

Immobilization of Microbial Cells for Alcoholic and Malolactic Fermentation of Wine and Cider

NASA Astrophysics Data System (ADS)

Kourkoutas, Yiannis; Manojlović, Verica; Nedović, Viktor A.

Wine- or cider-making is highly associated with biotechnology owing to the traditional nature of must fermentation.. Nowadays, there have been considerable developments in wine- or cider-making techniques affecting all phases of wine or cider production, but more importantly, the fermentation process. It is well-known that the transformation of grape must by microbial activity results in the production of wine, and the fermentation of apples (or sometimes pears) in the production of cider. In this process, a variety of compounds affecting the organoleptic profile of wine or cider are synthesized. It is also common sense that in wine- or cider-making, the main objective is to achieve an adequate quality of the product. The technological progress and the improved quality of the wines or ciders have been associated with the control of technical parameters. Herein, cell immobilization offers numerous advantages, such as enhanced fermentation productivity, ability for cell recycling, application of continuous configurations, enhanced cell stability and viability, and improvement of quality (Margaritis and Merchant 1984; Stewart and Russel 1986; Kourkoutas et al. 2004a).

A novel arctigenin-containing latex glove prevents latex allergy by inhibiting type I/IV allergic reactions.

PubMed

Wang, Yong-Xin; Xue, Dan-Ting; Liu, Meng; Zhou, Zheng-Min; Shang, Jing

2016-03-01

The present study aimed at developing a natural compound with anti-allergic effect and stability under latex glove manufacturing conditions and investigating whether its anti-allergic effect is maintained after its addition into the latex. The effects of nine natural compounds on growth of the RBL-2H3 cells and mouse primary spleen lymphocytes were determined using MTT assay. The compounds included glycyrrhizin, osthole, tetrandrine, tea polyphenol, catechin, arctigenin, oleanolic acid, baicalin and oxymatrine. An ELISA assay was used for the in vitro anti-type I/IV allergy screening; in this process β-hexosaminidase, histamine, and IL-4 released from RBL-2H3 cell lines and IFN-γ and IL-2 released from mouse primary spleen lymphocytes were taken as screening indices. The physical stability of eight natural compounds and the dissolubility of arctigenin, selected based on the in vitro pharnacodynamaic screening and the stability evaluation, were detected by HPLC. The in vivo pharmacodynamic confirmation of arctigenin and final latex product was evaluated with a passive cutaneous anaphylaxis (PCA) model and an allergen-specific skin response model. Nine natural compounds showed minor growth inhibition on RBL-2H3 cells and mouse primary spleen lymphocytes. Baicalin and arctigenin had the best anti-type I and IV allergic effects among the natural compounds based on the in vitro pharmacodynamic screening. Arctigenin and catechin had the best physical stability under different manufacturing conditions. Arctigenin was the selected for further evaluation and proven to have anti-type I and IV allergic effects in vivo in a dose-dependent manner. The final product of the arctigenin-containing latex glove had anti-type I and IV allergic effects in vivo which were mainly attributed to arctigenin as proved from the dissolubility results. Arctigenin showed anti-type I and IV allergic effects in vitro and in vivo, with a good stability under latex glove manufacturing conditions, and a persistent anti-allergic effect after being added into the latex to prevent latex allergy. Copyright © 2016 China Pharmaceutical University. Published by Elsevier B.V. All rights reserved.

Preparation and characterization of liposomal formulations of neurotensin-degrading enzyme inhibitors.

PubMed

van Rooy, Inge; Wu, Shin-Ying; Storm, Gert; Hennink, Wim E; Dinter-Heidorn, Heike; Schiffelers, Raymond M; Mastrobattista, Enrico

2011-09-20

Neurotensin-degrading enzyme (NTDE) inhibitors hold great potential for treating psychotic disorders. However, brain uptake of such compounds in vivo is generally low due to the presence of the blood-brain barrier. In this study, liposomal formulations of two NTDE inhibitors, named compound 1 (C1) and compound 2 (C2) were prepared. Association of these compounds with the liposomal bilayer, subsequent liposomal stability, and compound release in the presence of albumin was studied. Entrapment of the compounds in the liposomal bilayer showed the solubilizing properties of the liposomes. Size and polydispersity index of the compound-entrapped liposomes did not change over 1 month, showing colloidal stability of the liposomal drug formulations. The amount of compounds associated with the liposomes decreased within one day. After this, the association remained stable at 4°C. For C1, association remained stable at 37°C in HEPES buffered saline, and the compound was gradually released in the presence of bovine serum albumin. For C2, the release was rapid in both HBS and BSA at 37°C. In conclusion, the formulation of NTDE inhibitors C1 and C2 in liposomes has been demonstrated and holds promise to deliver NTDE inhibitors in vivo. Copyright © 2011 Elsevier B.V. All rights reserved.

Flavor characteristics of seven grades of black tea produced in Turkey.

PubMed

Alasalvar, Cesarettin; Topal, Bahar; Serpen, Arda; Bahar, Banu; Pelvan, Ebru; Gökmen, Vural

2012-06-27

Seven grades of black tea [high-quality black tea (grades 1-3) and low-quality black tea (grades 4-7)], processed by ÇAYKUR Tea Processing Plant (Rize, Turkey), were compared for their differences in descriptive sensory analysis (DSA), aroma-active compounds (volatile compounds), and taste-active compounds (sugar, organic acid, and free amino acid compositions). Ten flavor attributes such as 'after taste', 'astringency', 'bitter', 'caramel-like', 'floral/sweet', 'green/grassy', 'hay-like', 'malty', 'roasty', and 'seaweed' were identified. Intensities for a number of flavor attributes ('after taste', 'caramel-like', 'malty', and 'seaweed') were not significantly different (p > 0.05) among seven grades of black tea. A total of 57 compounds in seven grades of black tea (14 aldehydes, eight alcohols, eight ketones, two esters, four aromatic hydrocarbons, five aliphatic hydrocarbons, nine terpenes, two pyrazines, one furan, two acids, and two miscellaneous compounds) were tentatively identified. Of these, aldeyhdes comprised more than 50% to the total volatile compounds identified. In general, high-grade quality tea had more volatiles than low-grade quality tea. With respect to taste-active compounds, five sugars, six organic acids, and 18 free amino acids were positively identified in seven grades of black tea, of which fructose, tannic acid, and theanine predominated, respectively. Some variations (p < 0.05), albeit to different extents, were observed among volatile compounds, sugars, organic acids, and free amino acids in seven grades of black tea. The present study suggests that a certain flavor attributes correlate well with taste- and aroma-active compounds. High- and low-quality black teas should not be distinguished solely on the basis of their DSA and taste- and aroma-active compounds. The combination of taste-active compounds together with aroma-active compounds renders combination effects that provide the characteristic flavor of each grade of black tea.

Computational investigation of half-Heusler compounds for spintronics applications

NASA Astrophysics Data System (ADS)

Ma, Jianhua; Hegde, Vinay I.; Munira, Kamaram; Xie, Yunkun; Keshavarz, Sahar; Mildebrath, David T.; Wolverton, C.; Ghosh, Avik W.; Butler, W. H.

2017-01-01

We present first-principles density functional calculations of the electronic structure, magnetism, and structural stability of 378 XYZ half-Heusler compounds (with X = Cr, Mn, Fe, Co, Ni, Ru, Rh; Y = Ti, V, Cr, Mn, Fe, Ni; Z = Al, Ga, In, Si, Ge, Sn, P, As, Sb). We find that a "Slater-Pauling gap" in the density of states (i.e., a gap or pseudogap after nine states in the three atom primitive cell) in at least one spin channel is a common feature in half-Heusler compounds. We find that the presence of such a gap at the Fermi energy in one or both spin channels contributes significantly to the stability of a half-Heusler compound. We calculate the formation energy of each compound and systematically investigate its stability against all other phases in the open quantum materials database (OQMD). We represent the thermodynamic phase stability of each compound as its distance from the convex hull of stable phases in the respective chemical space and show that the hull distance of a compound is a good measure of the likelihood of its experimental synthesis. We find low formation energies and mostly correspondingly low hull distances for compounds with X = Co, Rh, or Ni, Y = Ti or V, and Z = P, As, Sb, or Si. We identify 26 18-electron semiconductors, 45 half-metals, and 34 near half-metals with negative formation energy that follow the Slater-Pauling rule of three electrons per atom. Our calculations predict several new, as-yet unknown, thermodynamically stable phases, which merit further experimental exploration—RuVAs, CoVGe, FeVAs in the half-Heusler structure, and NiScAs, RuVP, RhTiP in the orthorhombic MgSrSi-type structure. Further, two interesting zero-moment half-metals, CrMnAs and MnCrAs, are calculated to have negative formation energy. In addition, our calculations predict a number of hitherto unreported semiconducting (e.g., CoVSn and RhVGe), half-metallic (e.g., RhVSb), and near half-metallic (e.g., CoFeSb and CoVP) half-Heusler compounds to lie close to the respective convex hull of stable phases, and thus may be experimentally realized under suitable synthesis conditions, resulting in potential candidates for various semiconducting and spintronics applications.

Stability of Diazoxide in Extemporaneously Compounded Oral Suspensions.

PubMed

Friciu, Mihaela; Zaraa, Sarra; Roullin, V Gaëlle; Leclair, Grégoire

2016-01-01

The objective of this study was to evaluate the stability of diazoxide in extemporaneously compounded oral suspensions. Oral suspensions of diazoxide 10 mg/mL were prepared from either bulk drug or capsules dispersed in either Oral Mix or Oral Mix Sugar Free. These suspensions were stored at 5°C and 25°C/60%RH in bottles and oral syringes for a total of 90 days. At predetermined time intervals, suspensions were inspected for homogeneity, color or odor change; the pH was measured and the concentration of diazoxide was evaluated by ultraviolet detection using a stability-indicating high pressure liquid chromatography method. All preparations were demonstrated to be chemically stable for at least 90 days.

Mechanisms of nitrogen heterocycle influence on turbine fuel stability

NASA Technical Reports Server (NTRS)

Daniel, S. R.; Worstell, J. H.

1980-01-01

Lewis bases were extracted from a Utah COED syncrude via ligand exchange. Addition of this extract to Jet A at levels as low as 5 ppm N produced deterioration of stability in both JFTOT and accelerated storage tests (7 days at 394 K with 13:1air to fuel ratio). Comparable effects on Jet A stability were obtained by addition of pyridine and quinoline, while pyrrole and indole were less detrimental at the same concentration level. The weight of deposit produced accelerated storage tests was found to be proportional to the concentration of added nitrogen compound. Over the narrow temperature range accessible with the experimental method, Arrhenius plots obtained by assuming specific rate to be proportional to the weight of material deposited in seven days exhibit greater slopes in the presence of those nitrogen compounds producing the greater deposition rates. It is shown that despite variation in appearance the elemental composition and spectral characteristics of the deposits are unaffected by addition of the nitrogen compounds. The linearity of the Arrhenius plots and of a plot of Arrhenius slope versus intercept for all the compounds suggests a constancy of mechanism over the range of temperature and heterocycles studied.

Mesophase stabilization in ionic liquid crystals through pairing equally shaped mesogenic cations and anions

DOE PAGES

Stappert, Kathrin; Lipinski, Gregor; Kopiec, Gabriel; ...

2015-07-23

The synthesis and properties of a set of novel ionic liquid crystals with congruently shaped cations and anions are reported to check whether pairing mesogenic cations with mesogenic anions leads to a stabilization of a liquid crystalline phase. To that avail 1-alkyl-3-methyl-triazolium cations with an alkyl chain length of 10, 12, and 14 carbon atoms have been combined with p-alkyloxy-benzenesulfonate anions with different alkyl chain lengths (n = 10, 12, and 14). The corresponding triazolium iodides have been synthesized as reference compounds where the cation and anion have strong size and shape mismatch. The mesomorphic behavior of all compounds ismore » studied by differential scanning calorimetry and polarizing optical microscopy. All compounds except 1-methyl-3-decyltriazolium iodide, which qualifies as an ionic liquid, are thermotropic ionic liquid crystals. All other compounds adopt smectic A phases. As a result, a comparison of the thermal phase behavior of the 1-methyl-3-decyltriazolium bromides to the corresponding p-alkoxy-benzensulfonates reveals that definitely the mesophase is stabilized by pairing the rod-shaped 1-alkyl-3-methyltriazolium cation with a rod-like anion of similar size.« less

Influence of Tunisian aromatic plants on the prevention of oxidation in soybean oil under heating and frying conditions.

PubMed

Saoudi, Salma; Chammem, Nadia; Sifaoui, Ines; Bouassida-Beji, Maha; Jiménez, Ignacio A; Bazzocchi, Isabel L; Silva, Sandra Diniz; Hamdi, Moktar; Bronze, Maria Rosário

2016-12-01

The aim of this study was to improve the oxidative stability of soybean oil by using aromatic plants. Soybean oil flavored with rosemary (ROS) and soybean oil flavored with thyme (THY) were subjected to heating for 24h at 180°C. The samples were analyzed every 6h for their total polar compounds, anisidine values, oxidative stability and polyphenols content. The tocopherols content was determined and volatile compounds were also analyzed. After 24h of heating, the incorporation of these plants using a maceration process reduced the polar compounds by 69% and 71% respectively, in ROS and THY compared to the control. Until 6h of heating, the ROS kept the greatest oxidative stability. The use of the two extracts preserves approximately 50% of the total tocopherols content until 18h for the rosemary and 24h for the thyme flavored oils. Volatile compounds known for their antioxidant activity were also detected in the formulated oils. Aromatic plants added to the soybean oil improved the overall acceptability of potato crisps (p<0.05) until the fifteenth frying. Copyright © 2016 Elsevier Ltd. All rights reserved.

Effects of bis(guanylhydrazones) on the activity and expression of ornithine decarboxylase.

PubMed Central

Nikula, P; Alhonen-Hongisto, L; Jänne, J

1985-01-01

Derivatives of glyoxal bis(guanylhydrazone) (GBG), such as methylglyoxal bis(guanylhydrazone) and ethylglyoxal bis(guanylhydrazone), are potent inhibitors of S-adenosylmethionine decarboxylase (EC 4.1.1.50), the key enzyme required for the synthesis of spermidine and spermine. These compounds, but not the parent compound, induce a massive accumulation of putrescine, partly by blocking the conversion of putrescine into spermidine, but also by strikingly stimulating ornithine decarboxylase (ODC; EC 4.1.1.17) activity. The mechanism of the stimulation of ODC activity and enhanced accumulation of the enzyme protein apparently involved a distinct stabilization of the enzyme against intracellular degradation. However, although the parent compound GBG also stabilized ODC, it powerfully inhibited the enzyme activity and the accumulation of immunoreactive protein in cultured L1210 leukaemia cells. Kinetic considerations indicated that, in addition to the stabilization, all three compounds, GBG in particular, inhibited the expression of ODC. It is unlikely that the decreased rate of synthesis of ODC was attributable to almost unaltered amounts of mRNA in drug-treated cells, thus supporting the view that especially GBG apparently depressed the expression of ODC at some post-transcriptional level. Images PMID:4062886

Tannin-Metal Interactions in Soils: An Incubation-Extraction Approach in Hill-Land Environments

NASA Astrophysics Data System (ADS)

Gonzalez, J. M.; Halvorson, J. J.

2007-12-01

Tannins, plant polyphenols known to react with proteins, metals and soil organic matter, are commonly found in the vegetation growing in Appalachian hill-lands. Establishing silvopastoral grazing systems in these environments is a means for improving productivity however the fate of tannins in soils and, in particular, the effect on solubility/mobility of metals in soils is poorly understood. Soils from forest and pasture systems were sampled from two depths, treated with tannic acid or related phenolic compounds, and analyzed for metals in solution. The amount of Mn and Ca detected in solution varied among the different phenolic treatments, highest for gallic acid, and was also influenced by depth and land use. As expected, the Ca content in solution was correlated with the electrical conductivity (EC) and the Mn content was correlated with the redox potential in solution. Interestingly, the EC was also correlated with both Mn content and redox potential. The higher Ca content found in solution may result from the low pH of the phenolic compounds. The higher Mn in solution may result from the redox reaction of Mn (IV) oxides with the phenolic compounds, producing soluble Mn2+ and quinones. These quinones are very reactive compounds that can self-polymerize and/or copolymerize with other biomolecules, such as amino-containing compounds and carbohydrates, to form humic-like substances. Successful management of silvopastures, requires an understanding of factors that affect the quality and quantity of plant secondary compounds like tannins entering soil not only to increase forage productivity but also to enhance formation/stabilization of soil organic matter to increase nutrient cycling and reduce the toxicity risk of some metals such as Mn.

Simultaneous qualitative and quantitative evaluation of Ilex kudingcha C. J. tseng by using UPLC and UHPLC-qTOF-MS/MS.

PubMed

Zhou, Jie; Yi, Huan; Zhao, Zhong-Xiang; Shang, Xue-Ying; Zhu, Ming-Juan; Kuang, Guo-Jun; Zhu, Chen-Chen; Zhang, Lei

2018-06-05

In this study, a systematic method was established for the holistic quality control of Ilex kudingcha C. J. Tseng, a popular functional drink for adjuvant treatment of diabetes, hypertension, obesity and hyperlipidemia. Both qualitative and quantitative analyses were conducted. For qualitative analysis, an ultra high performance liquid chromatography (UHPLC) coupled with an electrospray ionization quadrupole time-of-flight mass spectrometry (ESI-qTOF-MS) method was established for rapid separation and structural identification of the constituents in Ilex kudingcha. Samples were separated on an ACQUITY UPLC HSS T3C 18 column (2.1 mm × 100 mm, 1.8 μm) by gradient elution using 0.1% (v/v) formic acid (solvent A) and acetonitrile (solvent B) as mobile phases at a flow rate of 0.25 mL min -1 . The chromatographic profiling of Ilex kudingcha by UHPLC-qTOF-MS/MS resulted in the characterization of 53 compounds, comprising 18 compounds that were unambiguously identified by comparison with reference standards. For quantitative analysis, 18 major compounds from 15 batches of Ilex kudingcha samples were simultaneously detected by UPLC-DAD at wavelengths of 210 nm, 260 nm, and 326 nm. The method was validated with respect to precision, linearity, repeatability, stability, accuracy, and so on. The contents of the 18 target compounds were applied for hierarchical clustering analysis (HCA) and principal component analysis (PCA) to differentiate between the samples. The results of HCA and PCA were consistent with each other. Sample No. 1 differed significantly based on HCA and PCA, and the differentiating components were confirmed to originate from different batches of samples. Phenolic acids and triterpenes were found to be the main ingredients in Ilex kudingcha. This strategy was effective and straightforward, and provided a potential approach for holistic quality control of Ilex kudingcha. Copyright © 2018. Published by Elsevier B.V.

A validated UPLC-MS/MS method for the analysis of linezolid and a novel oxazolidinone derivative (PH027) in plasma and its application to tissue distribution study in rabbits.

PubMed

Hedaya, Mohsen A; Thomas, Vidhya; Abdel-Hamid, Mohamed E; Kehinde, Elijah O; Phillips, Oludotun A

2017-01-01

Linezolid is the first approved oxazolidinone antibacterial agent, whereas PH027 is a novel compound of the same class that exhibits good in vitro antibacterial activity. The objective of this study was to develop an UPLC-MS/MS assay for the analysis of linezolid and PH027 in plasma and to apply the method for comparative pharmacokinetic and tissue distribution studies of both compounds. Plasma samples and calibrators were extracted with diethyl ether after addition of the internal standard solution. After evaporation of the ether layer, the residue was reconstituted in mobile phase and injected into UPLC-MS/MS. The mobile phase consisted of 2mM ammonium acetate buffer solution and acetonitrile (70:30) at a flow rate of 0.2ml/min. Separation was achieved using UPLC BEH C 18 column, and quantitative determination of the analytes was performed using multiple-reaction monitoring (MRM) scanning mode. The method was validated by analyzing quality control tissue homogenate samples, and was applied to analyze tissue homogenate samples obtained following IV injections of linezolid and PH027 in rabbits. The developed UPLC-MS/MS method was linear in the concentration range of 50-5000ng/ml. Validation of the method proved that the method's precision, selectivity and stability were all within the acceptable limits. Linezolid and PH027 concentrations were accurately determined in the quality control tissue homogenate samples, and analysis of samples obtained following IV administration of the two compounds showed that the tissue to plasma concentration ratio of PH027 was higher than that of linezolid probably due to its higher lipophilicity. The developed UPLC-MS/MS method for the analysis of linezolid and PH027 in rabbit's plasma can accurately determine the concentrations of these compounds in different tissues. Copyright © 2016 Elsevier B.V. All rights reserved.

Development and Application of a High-Performance Liquid Chromatography Stability-Indicating Assay for Beyond-Use Date Determination of Compounded Topical Gels Containing Multiple Active Drugs.

PubMed

Gorman, Gregory; Sokom, Simara; Coward, Lori; Arnold, John J

2017-01-01

Topical gels compounded by pharmacists are important clinical tools for the management of pain. Nevertheless, there is often a dearth of information about the chemical stability of drugs included in these topical formulations, complicating the assignment of beyond-use dating. The purpose of this study was to develop a high-performance liquid chromatography photodiode array-based stability-indicating assay that could simultaneously resolve six drugs (amitriptyline, baclofen, clonidine, gabapentin, ketoprofen, lidocaine) commonly included in topical gels for pain management and their potential degradation products. Furthermore, this method was applied to the determination of beyond-use dating of combinations of these drugs prepared in commonly utilized bases (Lipobase, Lipoderm, Pluronic organogel). Gabapentin was determined to be the least stable component in all formulations tested. Measured stability ranged between 7 to 49 days depending on the base and other active drugs present in the formulation. In the absence of gabapentin, baclofen was the next least stable component, lasting for 120 days, regardless of the type of formulating base used. Copyright© by International Journal of Pharmaceutical Compounding, Inc.

Applicability of canisters for sample storage in the determination of hazardous air pollutants

NASA Astrophysics Data System (ADS)

Kelly, Thomas J.; Holdren, Michael W.

This paper evaluates the applicability of canisters for storage of air samples containing volatile organic compounds listed among the 189 hazardous air pollutants (HAPs) in the 1990 U.S. Clean Air Act Amendments. Nearly 100 HAPs have sufficient vapor pressure to be considered volatile compounds. Of those volatile organic HAPs, 52 have been tested previously for stability during storage in canisters. The published HAP stability studies are reviewed, illustrating that for most of the 52 HAPs tested, canisters are an effective sample storage approach. However, the published stability studies used a variety of canister types and test procedures, and generally considered only a few compounds in a very small set of canisters. A comparison of chemical and physical properties of the HAPs has also been conducted, to evaluate the applicability of canister sampling for other HAPs, for which canister stability testing has never been conducted. Of 45 volatile HAPs never tested in canisters, this comparison identifies nine for which canisters should be effective, and 17 for which canisters are not likely to be effective. For the other 19 HAPs, no clear decision can be reached on the likely applicability of air sample storage in canisters.

Phase stability and electronic structure of UMo2Al20: A first-principles study

NASA Astrophysics Data System (ADS)

Liu, Peng-Chuang; Xian, Ya-Jiang; Wang, Xin; Zhang, Yu-Ting; Zhang, Peng-Cheng

2017-09-01

In this paper, the phase stability of UMo2Al20 was explored using cluster formula in combination with first-principles calculations. Cluster formula analysis uncovered that the compound was composed of two principal clusters, i.e. [Mo-Al12] and [U-Al16]. The electronic interactions between U, Mo and Al atoms in this compound were discussed using elastic property, Bader charges and energy-resolved local bonding analysis, as well as the electronic interactions between Mo and Al atoms in [Mo-Al12] cluster and between U and Al atoms in [U-Al16] cluster. It revealed that UMo2Al20 satisfied the mechanical stability criterion for cubic system, and exhibited near ionic bonding character with weak bonding directionality. The calculations within both standard DFT and HSE frameworks demonstrated that U and Al atoms acted as an electron donor while Mo atoms acted as electron acceptor. The intrinsic stability of UMo2Al20 mainly stemmed from the bonding states of Mo-Al bonds and Al-Al bonds in [Mo-Al12] cluster. These calculations provide a further insight on the CeCr2Al20-type ternary compounds.

PREPARATION AND PROPERTIES OF COMPOUND ARNEBIAE RADIX MICROEMULSION GEL

PubMed Central

Chen, Jing; He, Yanping; Gao, Ting; Zhang, Licheng; Zhao, Yuna

2017-01-01

Background: Compound Arnebiae radix oil has been clinically applied to treat burns and scalds for a long time. However, it is unstable and inconvenient to use. The aim of this study was to prepare a compound Arnebiae radix microemulsion gel for transdermal delivery system and evaluate its characteristics. Materials and Methods: Based on the solubility of Shikonin, the active component of Arnebiae radix and the results of phase studies, adequate ratio of each component in microemulsion was determined. The optimized microemulsion gel was prepared using Carbomer 940. The gels were characterized in terms of appearance, preliminary stability test and the content of Shikonin in the compound Arnebiae radix microemulsion gel with HPLC analysis. Results: The optimized conditions for preparing microemulsion were Tween-80, glycerin, isopropyl myristate (IPM) with the ratio of 6:3:2. The optimal microemulsion gel was obtained with Carbomer 940 (1.0%). Conclusion: The prepared compound Arnebiae radix microemulsion gel showed good stability over time. It is more convenience in application than the previous used formulations. PMID:28480438

PREPARATION AND PROPERTIES OF COMPOUND ARNEBIAE RADIX MICROEMULSION GEL.

PubMed

Chen, Jing; He, Yanping; Gao, Ting; Zhang, Licheng; Zhao, Yuna

2017-01-01

Compound Arnebiae radix oil has been clinically applied to treat burns and scalds for a long time. However, it is unstable and inconvenient to use. The aim of this study was to prepare a compound Arnebiae radix microemulsion gel for transdermal delivery system and evaluate its characteristics. Based on the solubility of Shikonin, the active component of Arnebiae radix and the results of phase studies, adequate ratio of each component in microemulsion was determined. The optimized microemulsion gel was prepared using Carbomer 940. The gels were characterized in terms of appearance, preliminary stability test and the content of Shikonin in the compound Arnebiae radix microemulsion gel with HPLC analysis. The optimized conditions for preparing microemulsion were Tween-80, glycerin, isopropyl myristate (IPM) with the ratio of 6:3:2. The optimal microemulsion gel was obtained with Carbomer 940 (1.0%). The prepared compound Arnebiae radix microemulsion gel showed good stability over time. It is more convenience in application than the previous used formulations.

Reactions of yttria-stabilized zirconia with oxides and sulfates of various elements

NASA Technical Reports Server (NTRS)

Zaplatynsky, I.

1978-01-01

The reactions between partially stabilized zirconia, containing 8 weight-percent yttria, and oxides and sulfates of various elements were studied at 1200, 1300, and 1400 C for times to 800, 400, and 200 hours, respectively. These oxides and sulfates represent impurities and additives potentially present in gas turbine fuels or impurities in the turbine combustion air as well as the elements of the substrate alloys in contact with zirconia. Based on the results, these compounds can be classified in four groups: (1) compounds which did not react with zirconia (Na2SO4, K2SO4, Cr2O3, Al2O3 and NiO); (2) compounds that reached completely with both zirconia phases (CaO, BaO, and BaSO4); (3) compounds that reacted preferentially with monoclinic zirconia (Na2O, K2O, CoO, Fe2O3, MgO, SiO2, and ZnO); and (4) compounds that reacted preferentially with cubic zirconia (V2O5, P2O5).

Antioxidant activity and polyphenolic compound stability of lentil-orange peel powder blend in an extrusion process.

PubMed

Rathod, Rahul P; Annapure, Uday S

2017-03-01

Lentil contains substantial amount of protein, carbohydrate, fibre and other nutrients and orange peels powder rich in carbohydrate and fiber content The present study was aimed to investigate the effects of extrusion processing parameter on the level of total phenolic content (TPC), total flavonoid content (TFC), total tannin content and antioxidant activity of lentil-orange peel powder blend, also to investigate the possibility of blend as a candidate for production of protein rich extruded product by using response surface methodology. It was observed that, the physicochemical properties and sensory characteristics of lentil-orange peel based extrudate were highly dependent on process variables. The blend of lentil and orange peel powder has a huge potential for extrusion to produce ready-to-eat extruded with good acceptance. The overall best quality product was optimized and obtained at 16% moisture, 150 °C die temperature and 200 rpm screw speed. Extrusion process increased nutritional value of extruded product with TPC and TFC of 70.4 and 67.62% respectively and antioxidant activity of 60.6%. It showed higher stability at 150 °C with intermediate feed moisture content and despite the use of high temperatures in the extrusion-cooking is possible to minimize the loss of bioactive compounds to achieve products. Thus, results indicated that blend of lentil and orange peel may be used as raw material for the production of extruded snacks with great nutritional value.

Protection and viability of fruit seeds oils by nanostructured lipid carrier (NLC) nanosuspensions.

PubMed

Krasodomska, Olga; Paolicelli, Patrizia; Cesa, Stefania; Casadei, Maria Antonietta; Jungnickel, Christian

2016-10-01

In this paper, we focused on the development of nanostructured lipid carriers (NLCs) for dermal application. The NLC matrix was designed as a protective reservoir of biological active compounds that naturally occur in domestic fruit seed oils. Over the years, emulsions, as a popular physicochemical form of personal care products, were refined in order to obtain the best possible penetration into the skin of any bioactive compound introduced in the formulation, such as polyunsaturated fatty acids (PUFAs). In fact, the bioactive components are useful only if they are able to penetrate the skin unchanged. Therefore, an alternate way to deliver naturally occurring PUFAs is needed. NLCs present a novel delivery and protection system for the PUFAs. The cold pressed fruit seed oils obtained from waste material were used in this paper: blackcurrant, blackberry, raspberry, strawberry and plum. Thermodynamic (DSC) and structural techniques ((1)H NMR) were applied in order to characterize the obtained systems in terms of seed oil incorporation into the NLC, and oxidative stability tests were used to confirm the protective quality of the systems. During the formulation optimization process the most stable nanosuspension with the best seed oil incorporation was a mixture of 4% nonionic emulsifiers, 88% water and 6% lipids with a ratio of 6:2, wax:oil. The oxidative stability tests showed that the NLC was an effective method of protection of the PUFAs. Copyright © 2016 Elsevier Inc. All rights reserved.

Fabric phase sorptive extraction followed by UHPLC-MS/MS for the analysis of benzotriazole UV stabilizers in sewage samples.

PubMed

Montesdeoca-Esponda, Sarah; Sosa-Ferrera, Zoraida; Kabir, Abuzar; Furton, Kenneth G; Santana-Rodríguez, José Juan

2015-10-01

A fast and sensitive sample preparation strategy using fabric phase sorptive extraction followed by ultra-high-performance liquid chromatography and tandem mass spectrometry detection has been developed to analyse benzotriazole UV stabilizer compounds in aqueous samples. Benzotriazole UV stabilizer compounds are a group of compounds added to sunscreens and other personal care products which may present detrimental effects to aquatic ecosystems. Fabric phase sorptive extraction is a novel solvent minimized sample preparation approach that integrates the advantages of sol-gel derived hybrid inorganic-organic nanocomposite sorbents and the flexible, permeable and hydrophobic surface chemistry of polyester fabric. It is a highly sensitive, fast, efficient and inexpensive device that can be reused and does not suffer from coating damage, unlike SPME fibres or stir bars. In this paper, we optimized the extraction of seven benzotriazole UV filters evaluating the majority of the parameters involved in the extraction process, such as sorbent chemistry selection, extraction time, back-extraction solvent, back-extraction time and the impact of ionic strength. Under the optimized conditions, fabric phase sorptive extraction allows enrichment factors of 10 times with detection limits ranging from 6.01 to 60.7 ng L(-1) and intra- and inter-day % RSDs lower than 11 and 30 % for all compounds, respectively. The optimized sample preparation technique followed by ultra-high-performance liquid chromatography and tandem mass spectrometry detection was applied to determine the target analytes in sewage samples from wastewater treatment plants with different purification processes of Gran Canaria Island (Spain). Two UV stabilizer compounds were measured in ranges 17.0-60.5 ng mL(-1) (UV 328) and 69.3-99.2 ng mL(-1) (UV 360) in the three sewage water samples analysed.

Effects of phosphoramides on wood dimensional stability

Treesearch

Hong-Lin Lee; George C. Chen; Roger M. Rowell

2000-01-01

To evaluate the dimensional stability of phosphoramide-reacted wood, wood was reacted with a mixture which was derived from compounding phosphorus pentoxide and each of 12 amines including alkyl, halophenyl, and phenyl amines in N,N-dimethylformamide. Dimensional stability of such reacted wood was analyzed by antishrink efficiency (ASE) using the water-soak method....

Remote Substituent Effects on the Structures and Stabilities of P═E π-Stabilized Diphosphatetrylenes (R2P)2E (E = Ge, Sn).

PubMed

Izod, Keith; Evans, Peter; Waddell, Paul G; Probert, Michael R

2016-10-17

A rare P-E π interaction between the lone pair of a planar P center and the vacant p orbital at the Ge or Sn center provides efficient stabilization for P-substituted tetrylenes (R 2 P) 2 E (E = Ge, Sn) and enables isolation of the first example of a compound with a crystallographically authenticated P═Sn bond. Subtle changes in the electronic properties of the bulky aryl substituents in these compounds change the preference for planar versus pyramidal P centers in the solid state; however, variable-temperature NMR spectroscopy indicates that in solution these species are subject to a dynamic equilibrium, which interconverts the planar and pyramidal P centers. Consistent with this, density functional theory studies suggest that there is only a small energy difference between the planar and pyramidal forms of these compounds and reveal a small singlet-triplet energy separation, suggesting potentially interesting reactivities.

Fresh broad (Vicia faba) tissue homogenate-based biosensor for determination of phenolic compounds.

PubMed

Ozcan, Hakki Mevlut; Sagiroglu, Ayten

2014-08-01

In this study, a novel fresh broad (Vicia faba) tissue homogenate-based biosensor for determination of phenolic compounds was developed. The biosensor was constructed by immobilizing tissue homogenate of fresh broad (Vicia faba) on to glassy carbon electrode. For the stability of the biosensor, general immobilization techniques were used to secure the fresh broad tissue homogenate in gelatin-glutaraldehyde cross-linking matrix. In the optimization and characterization studies, the amount of fresh broad tissue homogenate and gelatin, glutaraldehyde percentage, optimum pH, optimum temperature and optimum buffer concentration, thermal stability, interference effects, linear range, storage stability, repeatability and sample applications (Wine, beer, fruit juices) were also investigated. Besides, the detection ranges of thirteen phenolic compounds were obtained with the help of the calibration graphs. A typical calibration curve for the sensor revealed a linear range of 5-60 μM catechol. In reproducibility studies, variation coefficient (CV) and standard deviation (SD) were calculated as 1.59%, 0.64×10(-3) μM, respectively.

A highly efficient silole-containing dithienylethene with excellent thermal stability and fatigue resistance: a promising candidate for optical memory storage materials.

PubMed

Chan, Jacky Chi-Hung; Lam, Wai Han; Yam, Vivian Wing-Wah

2014-12-10

Diarylethene compounds are potential candidates for applications in optical memory storage systems and photoswitchable molecular devices; however, they usually show low photocycloreversion quantum yields, which result in ineffective erasure processes. Here, we present the first highly efficient photochromic silole-containing dithienylethene with excellent thermal stability and fatigue resistance. The photochemical quantum yields for photocyclization and photocycloreversion of the compound are found to be high and comparable to each other; the latter of which is rarely found in diarylethene compounds. These would give rise to highly efficient photoswitchable material with effective writing and erasure processes. Incorporation of the silole moiety as a photochromic dithienylethene backbone also was demonstrated to enhance the thermal stability of the closed form, in which the thermal backward reaction to the open form was found to be negligible even at 100 °C, which leads to a promising candidate for use as photoswitchable materials and optical memory storage.

Investigation of phase diagrams and physical stability of drug-polymer solid dispersions.

PubMed

Lu, Jiannan; Shah, Sejal; Jo, Seongbong; Majumdar, Soumyajit; Gryczke, Andreas; Kolter, Karl; Langley, Nigel; Repka, Michael A

2015-01-01

Solid dispersion technology has been widely explored to improve the solubility and bioavailability of poorly water-soluble compounds. One of the critical drawbacks associated with this technology is the lack of physical stability, i.e. the solid dispersion would undergo recrystallization or phase separation thus limiting a product's shelf life. In the current study, the melting point depression method was utilized to construct a complete phase diagram for felodipine (FEL)-Soluplus® (SOL) and ketoconazole (KTZ)-Soluplus® (SOL) binary systems, respectively, based on the Flory-Huggins theory. The miscibility or solubility of the two compounds in SOL was also determined. The Flory-Huggins interaction parameter χ values of both systems were calculated as positive at room temperature (25 °C), indicating either compound was miscible with SOL. In addition, the glass transition temperatures of both solid dispersion systems were theoretically predicted using three empirical equations and compared with the practical values. Furthermore, the FEL-SOL solid dispersions were subjected to accelerated stability studies for up to 3 months.

A quantitative LC-MS/MS method for simultaneous determination of cocaine and its metabolites in whole blood

PubMed Central

Chen, Xiabin; Zheng, Xirong; Ding, Kai; Zhou, Ziyuan; Zhan, Chang-Guo; Zheng, Fang

2016-01-01

As new metabolic pathways of cocaine were recently identified, a high performance liquid chromatography tandem mass spectrometry (LC-MS/MS) method was developed to simultaneously determine cocaine and nine cocaine-related metabolites in whole blood samples. One-step solid phase extraction was used to extract all of the ten compounds and corresponding internal standards from blood samples. All compounds and internal standards extracted were separated on an Atlantis T3 (100Å, 3 µm, 2.1 mm × 150 mm I.D) column and detected in positive ion and high sensitivity mode with multiple reaction monitoring. This method was validated for its sensitivity, linearity, specificity, accuracy, precision, recovery, and stability. All of the ten compounds were quantifiable ranging from the lower limit of quantification (LLOQs) of ~10 nM (1.9–3.2 ng/ml) to ~1000 nM (190–320 ng/ml) without any interfering substance. Accuracy and precision were determined, and both of them were within the acceptance criteria of the United States (US) Food and Drug Administration (FDA) and European Medicines Agency (EMA) guidelines. The recovery was above 66.7% for all compounds. Stability tests demonstrated the stability of compounds under different storage conditions in whole blood samples. The method was successfully applied to a pharmacokinetic study with co-administration of cocaine and alcohol in rats. PMID:27923200

Preparation and evaluation of high dispersion stable nanocrystal formulation of poorly water-soluble compounds by using povacoat.

PubMed

Yuminoki, Kayo; Seko, Fuko; Horii, Shota; Takeuchi, Haruka; Teramoto, Katsuya; Nakada, Yuichiro; Hashimoto, Naofumi

2014-11-01

In this study, we reported the application of Povacoat®, a hydrophilic polyvinylalcohol copolymer, as a dispersion stabilizer of nanoparticles of poorly water-soluble compounds. In addition, the influence of aggregation of the nanoparticles on their solubility and oral absorption was studied. Griseofulvin (GF) was used as a model compound with poor water solubility and was milled to nanoparticles by wet bead milling. The dispersion stability of GF milled with Povacoat® or the generally used polymers (polyvinylalcohol, hydroxypropylcellulose SSL, and polyvinylpyrrolidone K30) was compared. Milled GF suspended in Povacoat® aqueous solution with D-mannitol, added to improve the disintegration rate of freeze-dried GF, exhibited high dispersion stability without aggregation (D90 = ca. 0.220 μm), whereas milled GF suspended in aqueous solutions of the other polymers aggregated (D90 > 5 μm). Milled GF with Povacoat® showed improved aqueous solubility and bioavailability compared with the other polymers. The aggregation of nanoparticles had significant impact on the solubility and bioavailability of GF. Povacoat® also prevented the aggregation of the various milled poorly water-soluble compounds (hydrochlorothiazide and tolbutamide, etc.) more effectively than the other polymers. These results showed that Povacoat® could have wide applicability to the development of nanoformulations of poorly water-soluble compounds. © 2014 Wiley Periodicals, Inc. and the American Pharmacists Association.

Temperature responses of individual soil organic matter components

NASA Astrophysics Data System (ADS)

Feng, Xiaojuan; Simpson, Myrna J.

2008-09-01

Temperature responses of soil organic matter (SOM) remain unclear partly due to its chemical and compositional heterogeneity. In this study, the decomposition of SOM from two grassland soils was investigated in a 1-year laboratory incubation at six different temperatures. SOM was separated into solvent extractable compounds, suberin- and cutin-derived compounds, and lignin-derived monomers by solvent extraction, base hydrolysis, and CuO oxidation, respectively. These SOM components have distinct chemical structures and stabilities and their decomposition patterns over the course of the experiment were fitted with a two-pool exponential decay model. The stability of SOM components was also assessed using geochemical parameters and kinetic parameters derived from model fitting. Compared with the solvent extractable compounds, a low percentage of lignin monomers partitioned into the labile SOM pool. Suberin- and cutin-derived compounds were poorly fitted by the decay model, and their recalcitrance was shown by the geochemical degradation parameter (ω - C16/∑C16), which was observed to stabilize during the incubation. The temperature sensitivity of decomposition, expressed as Q10, was derived from the relationship between temperature and SOM decay rates. SOM components exhibited varying temperature responses and the decomposition of lignin monomers exhibited higher Q10 values than the decomposition of solvent extractable compounds. Our study shows that Q10 values derived from soil respiration measurements may not be reliable indicators of temperature responses of individual SOM components.

Controlling Plasma Stability of Hydroxamic Acids: A MedChem Toolbox.

PubMed

Hermant, Paul; Bosc, Damien; Piveteau, Catherine; Gealageas, Ronan; Lam, BaoVy; Ronco, Cyril; Roignant, Matthieu; Tolojanahary, Hasina; Jean, Ludovic; Renard, Pierre-Yves; Lemdani, Mohamed; Bourotte, Marilyne; Herledan, Adrien; Bedart, Corentin; Biela, Alexandre; Leroux, Florence; Deprez, Benoit; Deprez-Poulain, Rebecca

2017-11-09

Hydroxamic acids are outstanding zinc chelating groups that can be used to design potent and selective metalloenzyme inhibitors in various therapeutic areas. Some hydroxamic acids display a high plasma clearance resulting in poor in vivo activity, though they may be very potent compounds in vitro. We designed a 57-member library of hydroxamic acids to explore the structure-plasma stability relationships in these series and to identify which enzyme(s) and which pharmacophores are critical for plasma stability. Arylesterases and carboxylesterases were identified as the main metabolic enzymes for hydroxamic acids. Finally, we suggest structural features to be introduced or removed to improve stability. This work thus provides the first medicinal chemistry toolbox (experimental procedures and structural guidance) to assess and control the plasma stability of hydroxamic acids and realize their full potential as in vivo pharmacological probes and therapeutic agents. This study is particularly relevant to preclinical development as it allows obtaining compounds equally stable in human and rodent models.

75 FR 2090 - Approval and Promulgation of Air Quality Implementation Plans; Indiana; Volatile Organic Compound...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-01-14

... Promulgation of Air Quality Implementation Plans; Indiana; Volatile Organic Compound Automobile Refinishing... automobile refinishing rule for approval into its State Implementation Plan (SIP). These rule revisions extend the applicability of Indiana's approved volatile organic compound (VOC) automobile refinishing...

75 FR 60013 - Approval and Promulgation of Air Quality Implementation Plans; Maryland; Control of Volatile...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-09-29

... Promulgation of Air Quality Implementation Plans; Maryland; Control of Volatile Organic Compounds Emissions... Maryland's Volatile Organic Compounds from Specific Processes Regulation. Maryland has adopted standards... (RACT) requirements for sources of volatile organic compounds (VOCs) covered by control techniques...

Prediction of blood-brain partitioning: a model based on molecular electronegativity distance vector descriptors.

PubMed

Zhang, Yong-Hong; Xia, Zhi-Ning; Qin, Li-Tang; Liu, Shu-Shen

2010-09-01

The objective of this paper is to build a reliable model based on the molecular electronegativity distance vector (MEDV) descriptors for predicting the blood-brain barrier (BBB) permeability and to reveal the effects of the molecular structural segments on the BBB permeability. Using 70 structurally diverse compounds, the partial least squares regression (PLSR) models between the BBB permeability and the MEDV descriptors were developed and validated by the variable selection and modeling based on prediction (VSMP) technique. The estimation ability, stability, and predictive power of a model are evaluated by the estimated correlation coefficient (r), leave-one-out (LOO) cross-validation correlation coefficient (q), and predictive correlation coefficient (R(p)). It has been found that PLSR model has good quality, r=0.9202, q=0.7956, and R(p)=0.6649 for M1 model based on the training set of 57 samples. To search the most important structural factors affecting the BBB permeability of compounds, we performed the values of the variable importance in projection (VIP) analysis for MEDV descriptors. It was found that some structural fragments in compounds, such as -CH(3), -CH(2)-, =CH-, =C, triple bond C-, -CH<, =C<, =N-, -NH-, =O, and -OH, are the most important factors affecting the BBB permeability. (c) 2010. Published by Elsevier Inc.

Algicidal metabolites produced by Bacillus sp. strain B1 against Phaeocystis globosa.

PubMed

Zhao, Ling; Chen, Lina; Yin, Pinghe

2014-03-01

The bloom of Phaeocystis globosa has broken out frequently in the coastal areas of China in recent years, which has led to substantial economic losses. This study shows that Bacillus sp. strain B1, which was previously identified by our group, is effective in regulating P. globosa by excreting active metabolites. Heat stability, pH stability and molecular weight range of the algicidal compounds from strain B1 were measured and the results demonstrated that the algicidal activities of these compounds were not affected by pH or temperature variation. The algicidal compounds extracted with methanol were isolated and purified by ODS-A column chromatography and HPLC. The algicidal compounds corresponding to peaks 2-5 eluted from HPLC were further analysed by quadrupole time-of-flight mass spectrometry (Q-TOF-MS). PeakView™ Software determined the compounds corresponding to peaks 2-5 to be L-histidine, o-tyrosine, N-acetylhistamine and urocanic acid on the basis of the accurate mass information, the isotopic pattern and MS-MS spectra. Furthermore, these compounds were also able to eliminate Skeletonema costatum, Prorocentrum donghaiense and Heterosigma akashiwo. This is the first report of bacteria-derived algicidal compounds being identified only by Q-TOF-MS and PeakView™ Software, and these compounds may be used as the constituents of algicides in the future.

Polyether precursors of molecular recognition systems based on the 9,10-anthraquinone moiety

NASA Astrophysics Data System (ADS)

Wcisło, Anna; Cirocka, Anna; Zarzeczańska, Dorota; Niedziałkowski, Paweł; Nakonieczna, Sandra; Ossowski, Tadeusz

2015-02-01

A series of novel polyether derivatives of 9,10-anthraquinone (AQ) was synthesized and characterized by means of UV-Vis spectroscopy, acid-base titration and complexometric titration. The results were compared with 1-NEt2AQ and 1-NHEtAQ - model compounds of alkylaminoanthraquinones. Acetonitrile and methanol were used as solvents for determination of spectroscopic and acid-base properties. Complexometric titrations were carried out exclusively in acetonitrile. Spectral characteristic of these compounds strongly depends on pH. Addition of acid causes the decrease of absorption intensity and in some cases also a shift of the visible range band. The weakest base is the compound (2), and the strongest - compound (1), both in methanol and acetonitrile solution. The introduction of an additional substituent in the position 8 of the anthraquinone compound increases its basicity. The presence of metal ions causes changes in intensity of absorption (decrease for compounds (2) and (3) and increase with bathochromic shift for (1) and (4)). For the determination of the coordination properties aluminum (III) ions were chosen. The highest complex stability constant with Al (III) ions is observed for compound (1), and the weakest for compound (3). The elongation of the polyether chain decreases the stability of the complex formed.

Polyether precursors of molecular recognition systems based on the 9,10-anthraquinone moiety.

PubMed

Wcisło, Anna; Cirocka, Anna; Zarzeczańska, Dorota; Niedziałkowski, Paweł; Nakonieczna, Sandra; Ossowski, Tadeusz

2015-02-25

A series of novel polyether derivatives of 9,10-anthraquinone (AQ) was synthesized and characterized by means of UV-Vis spectroscopy, acid-base titration and complexometric titration. The results were compared with 1-NEt2AQ and 1-NHEtAQ--model compounds of alkylaminoanthraquinones. Acetonitrile and methanol were used as solvents for determination of spectroscopic and acid-base properties. Complexometric titrations were carried out exclusively in acetonitrile. Spectral characteristic of these compounds strongly depends on pH. Addition of acid causes the decrease of absorption intensity and in some cases also a shift of the visible range band. The weakest base is the compound (2), and the strongest--compound (1), both in methanol and acetonitrile solution. The introduction of an additional substituent in the position 8 of the anthraquinone compound increases its basicity. The presence of metal ions causes changes in intensity of absorption (decrease for compounds (2) and (3) and increase with bathochromic shift for (1) and (4)). For the determination of the coordination properties aluminum (III) ions were chosen. The highest complex stability constant with Al (III) ions is observed for compound (1), and the weakest for compound (3). The elongation of the polyether chain decreases the stability of the complex formed. Copyright © 2014 Elsevier B.V. All rights reserved.

An overview on chemical derivatization and stability aspects of selected avermectin derivatives.

PubMed

Awasthi, Atul; Razzak, Majid; Al-Kassas, Raida; Harvey, Joanne; Garg, Sanjay

2012-01-01

Naturally occurring avermectins (AVMs) and its derivatives are potent endectocide compounds, well-known for their novel mode of action against a broad range of nematode and anthropod animal parasites. In this review, chemical and pharmaceutical aspects of AVM derivatives are described including stability, synthetic and purification processes, impurities and degradation pathways, and subsequent suggestions are made to improve the chemical stability. It has been found out that unique structure of AVM molecules and presence of labile groups facilitated the derivatization of AVM into various compounds showing strong anthelmintic activity. However, the same unique structure is also responsible for labile nature related to sensitive stability profile of molecules. AVMs are found to be unstable in acidic and alkaline conditions. In addition, these compounds are sensitive to strong light, and subsequently presence of photo-isomer in animals treated topically with AVM product is well known. The pharmacoepial recommendations for addition of antioxidant into drug substance, as well as its products, arises from the fact that AVM are very sensitive to oxidation. Formations of solvates, salts, epoxides, reduction of double bonds and developing liquid formulation around pH 6.2, were some chemical approaches used to retard the degradation in AVM. This coherent review will contribute towards the better understanding of the correlation of chemical processes, stability profile and biological activity; therefore, it will help to design the shelf-life stable formulations containing AVMs.

Quality by design in formulation and process development for a freeze-dried, small molecule parenteral product: a case study.

PubMed

Mockus, Linas N; Paul, Timothy W; Pease, Nathan A; Harper, Nancy J; Basu, Prabir K; Oslos, Elizabeth A; Sacha, Gregory A; Kuu, Wei Y; Hardwick, Lisa M; Karty, Jacquelyn J; Pikal, Michael J; Hee, Eun; Khan, Mansoor A; Nail, Steven L

2011-01-01

A case study has been developed to illustrate one way of incorporating a Quality by Design approach into formulation and process development for a small molecule, freeze-dried parenteral product. Sodium ethacrynate was chosen as the model compound. Principal degradation products of sodium ethacrynate result from hydrolysis of the unsaturated ketone in aqueous solution, and dimer formation from a Diels-Alder condensation in the freeze-dried solid state. When the drug crystallizes in a frozen solution, the eutectic melting temperature is above -5°C. Crystallization in the frozen system is affected by pH in the range of pH 6-8 and buffer concentration in the range of 5-50 mM, where higher pH and lower buffer concentration favor crystallization. Physical state of the drug is critical to solid state stability, given the relative instability of amorphous drug. Stability was shown to vary considerably over the ranges of pH and buffer concentration examined, and vial-to-vial variability in degree of crystallinity is a potential concern. The formulation design space was constructed in terms of pH and drug concentration, and assuming a constant 5 mM concentration of buffer. The process design space is constructed to take into account limitations on the process imposed by the product and by equipment capability.

Carbohydrates and thermal analysis reflects changes in soil organic matter stability after forest expansion on abandoned grassland

NASA Astrophysics Data System (ADS)

Guidi, Claudia; Vesterdal, Lars; Cannella, David; Leifeld, Jens; Gianelle, Damiano; Rodeghiero, Mirco

2014-05-01

Grassland abandonment, followed by progressive forest expansion, is the dominant land-use change in the Southern Alps, Europe. Land-use change can affect not only the amount of organic matter (OM) in soil but also its composition and stability. Our objective was to investigate changes in organic matter properties after forest expansion on abandoned grasslands, combining analysis of carbohydrates, indicative of labile OM compounds with prevalent plant or microbial origin, with thermal analysis. Thermal analysis was used as a rapid assessment method for the characterization of SOM stability. A land-use gradient was investigated in four land-use types in the subalpine area of Trentino region, Italy: i) managed grassland, mown and fertilized for the past 100 years; ii) grassland abandoned since 10 years, with sparse shrubs and Picea abies saplings; iii) early-stage forest, dominated by P. abies and established on a grassland abandoned around 1970; iv) old forest, dominated by Fagus sylvatica and P. abies. Mineral soil was sampled at three subplots in each land use type with eight soil cores, which were subsequently pooled by depth (0-5 cm, 5-10 cm, 10-20 cm). Sugars were extracted from bulk soil samples through acid hydrolysis with H2SO4 (0.5 M). The analytical composition of sugar monomers was performed with HPAEC technology (Dionex ICS5000), equipped with PAD-detection. Thermal stability was assessed with a differential scanning calorimeter DSC100, heating soil samples up to 600°C at a heating rate of 10°C min-1 in synthetic air. Peak height (W g OC-1) of 1st DSC exotherm, dominated by burning of labile OM compounds, was used as thermal stability index. In the abandoned grassland, carbohydrates compounds accounted for a greater proportion of soil OC than in other land use types. Microbially derived sugars, as rhamnose and galactose, were more abundant in managed and abandoned grasslands compared with early-stage and old forest. The amount of thermally labile sugars, estimated as the peak height of the 1st exotherm, was higher in the abandoned grassland compared with managed grassland and old forest in 0-5 cm depth. Moreover, thermally labile compounds were higher in early-stage than in old forest in 0-5 cm depth. A highly significant correlation was found between thermally labile compounds and carbohydrate content in soil (P = 0.008, r = 0.725). The obtained results suggest that both thermally-labile compounds and carbohydrates are more abundant soon after grassland abandonment, which can lead to lower OM stability. The combination of chemical and thermal analysis of OM can thus provide useful insights on organic matter composition and stability.

Stability of the 1144 phase in iron pnictides

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

Song, B. Q.; Nguyen, Manh Cuong; Wang, C. Z.

A series of iron arsenides (e.g., CaRbFe 4As 4, SrCsFe 4As 4) have been discovered recently, and have provoked a rise in superconductor searches in a different phase, known as the 1144 phase. For the presence of various chemical substitutions, it is believed that more 1144 compounds remain to be discovered. Here in this work, we perform general model analysis as well as scenario calculation on a basis of density functional theory to investigate phase stability in a variety of compounds. We predict that the 1144-type phase could be stabilized in EuKFe 4As 4, EuRbFe 4As 4, EuCsFe 4As 4,more » CaCsFe 4P 4, SrCsFe 4P 4, BaCsFe 4P 4, InCaFe 4As 4, InSrFe 4As 4, etc. Remarkably, it involves rare earths, trivalence elements (e.g., indium) and iron phosphides, which greatly expands the range of its existence and suggests a promising prospect for experimental synthesis. In addition, we find that the formation of many random doping compounds (e.g., Ba 0.5Cs 0.5Fe 2As 2, Ba 0.5 Rb 0.5Fe 2As 2) is driven by entropy and could be annealed to a 1144-type phase. Eventually, we plot a phase diagram about two structural factors Δa and Δc, giving a bird's-eye view of stability of various 1144 compounds.« less

Stability of the 1144 phase in iron pnictides

DOE PAGES

Song, B. Q.; Nguyen, Manh Cuong; Wang, C. Z.; ...

2018-03-14

A series of iron arsenides (e.g., CaRbFe 4As 4, SrCsFe 4As 4) have been discovered recently, and have provoked a rise in superconductor searches in a different phase, known as the 1144 phase. For the presence of various chemical substitutions, it is believed that more 1144 compounds remain to be discovered. Here in this work, we perform general model analysis as well as scenario calculation on a basis of density functional theory to investigate phase stability in a variety of compounds. We predict that the 1144-type phase could be stabilized in EuKFe 4As 4, EuRbFe 4As 4, EuCsFe 4As 4,more » CaCsFe 4P 4, SrCsFe 4P 4, BaCsFe 4P 4, InCaFe 4As 4, InSrFe 4As 4, etc. Remarkably, it involves rare earths, trivalence elements (e.g., indium) and iron phosphides, which greatly expands the range of its existence and suggests a promising prospect for experimental synthesis. In addition, we find that the formation of many random doping compounds (e.g., Ba 0.5Cs 0.5Fe 2As 2, Ba 0.5 Rb 0.5Fe 2As 2) is driven by entropy and could be annealed to a 1144-type phase. Eventually, we plot a phase diagram about two structural factors Δa and Δc, giving a bird's-eye view of stability of various 1144 compounds.« less

Stability of the 1144 phase in iron pnictides

NASA Astrophysics Data System (ADS)

Song, B. Q.; Nguyen, Manh Cuong; Wang, C. Z.; Ho, K. M.

2018-03-01

A series of iron arsenides (e.g., CaRbFe4As4 , SrCsFe4As4 ) have been discovered recently, and have provoked a rise in superconductor searches in a different phase, known as the 1144 phase. For the presence of various chemical substitutions, it is believed that more 1144 compounds remain to be discovered. In this work, we perform general model analysis as well as scenario calculation on a basis of density functional theory to investigate phase stability in a variety of compounds. We predict that the 1144-type phase could be stabilized in EuKFe4As4 , EuRbFe4As4 , EuCsFe4As4 , CaCsFe4P4 , SrCsFe4P4 , BaCsFe4P4 , InCaFe4As4 , InSrFe4As4 , etc. Remarkably, it involves rare earths, trivalence elements (e.g., indium) and iron phosphides, which greatly expands the range of its existence and suggests a promising prospect for experimental synthesis. In addition, we find that the formation of many random doping compounds (e.g., Ba0.5Cs0.5Fe2As2 , Ba0.5Rb0.5Fe2As2 ) is driven by entropy and could be annealed to a 1144-type phase. Eventually, we plot a phase diagram about two structural factors Δ a and Δ c , giving a bird's-eye view of stability of various 1144 compounds.

Oxidative stability and lipid oxidation flavoring volatiles in antioxidants treated chicken meat patties during storage.

PubMed

Sohaib, Muhammad; Anjum, Faqir Muhammad; Arshad, Muhammad Sajid; Imran, Muhammad; Imran, Ali; Hussain, Shahzad

2017-02-01

Chicken meat contains higher percentage of polyunsaturated fatty acids that are susceptible to oxidative deterioration ultimately leading towards lower consumer acceptability for chicken meat products. Accordingly, meat processing industries are looking for combinations of natural antioxidants to enhance the oxidative stability and consumer acceptability of meat based products. The present study aimed to investigate the influence of directly added quercetin dihydrate in combination with α-tocopherol on oxidative stability, color characteristics, total carbonyls and flavor volatile compounds in chicken meat patties. Considering the preliminary studies, 3 levels of quercetin dihdrate @ 25, 50 and 100 mg/kg meat in combination with α-tocopherol at the rate 100 and 200 mg/kg meat were added to develop chicken meat patties and were stored at refrigeration temperature for 7 days. The oxidative stability of the antioxidant treated patties was determined by measuring malonaldehydes using TBARS and total carbonyls assay. The color (Lightness, redness and yellowness) of the patties was determined by using Konica Minolta Color Meter. Moreover, the volatile compounds were measured through gas chromatography at various storage intervals. The results elucidated that quercetin dehydrate inclusion at the rate of 50 mg/kg meat as well as particularly 100 mg/kg meat decreased the oxidation by reducing generation of malonaldehydes and total carbonyls in treated patties. Highest value for TBARS at initiation of storage was reported in (T 0 ) as 1.93 ± 0.02 whereas lowest were reported in T 6 and T 5 as 0.37 ± 0.01 and 0.38 ± 0.03 that were increased to 3.47 ± 0.14, 0.90 ± 0.05 and 0.94 ± 0.34 at the completion of storage. Moreover, the lowest carbonyls also reported in T6 and the values at various storage intervals (1st, 3rd and 7th) were as 0.59 ± 0.025, 0.77 ± 0.015 and 1.02 ± 0.031, respectively. The antioxidants inclusion also inhibited volatile flavoring compounds particularly aldehydes like hexanal and pentanal in a dose dependent manner (p ≤ 0.05). Lowest hexanal values reported in T 6 as 2488 ± 103 followed by T 4 (3701 ± 111) at the start of the trial whereas highest in T 0 (control) as 54,768 ± 431 that were increased to 9569 ± 607, 112,550 ± 897 and 359,826 ± 1285, correspondingly. The hexanal, as a critical indicator for the determination of volatiles in meat based products, was decreased with the addition of antioxidants and its highest values were reported in control group. Quercetin dihydrate addition along with alpha tocopherol is a pragmatic choice to improve oxidative storability and volatile flavor compounds in cooked meat patties. The data obtained will help meat processor to better develop antioxidant enriched formulations to augment oxidative stability and quality of processed meat products.

Stabilized Lanthanum Sulphur Compounds

NASA Technical Reports Server (NTRS)

Reynolds, George H. (Inventor); Elsner, Norbert B. (Inventor); Shearer, Clyde H. (Inventor)

1985-01-01

Lanthanum sulfide is maintained in the stable cubic phase form over a temperature range of from 500 C to 1500 C by adding to it small amounts of calcium, barium. or strontium. This novel compound is an excellent thermoelectric material.

Matrix- and tensor-based recommender systems for the discovery of currently unknown inorganic compounds

NASA Astrophysics Data System (ADS)

Seko, Atsuto; Hayashi, Hiroyuki; Kashima, Hisashi; Tanaka, Isao

2018-01-01

Chemically relevant compositions (CRCs) and atomic arrangements of inorganic compounds have been collected as inorganic crystal structure databases. Machine learning is a unique approach to search for currently unknown CRCs from vast candidates. Herein we propose matrix- and tensor-based recommender system approaches to predict currently unknown CRCs from database entries of CRCs. Firstly, the performance of the recommender system approaches to discover currently unknown CRCs is examined. A Tucker decomposition recommender system shows the best discovery rate of CRCs as the majority of the top 100 recommended ternary and quaternary compositions correspond to CRCs. Secondly, systematic density functional theory (DFT) calculations are performed to investigate the phase stability of the recommended compositions. The phase stability of the 27 compositions reveals that 23 currently unknown compounds are newly found to be stable. These results indicate that the recommender system has great potential to accelerate the discovery of new compounds.

Structural stability, mechanical properties, electronic structures and thermal properties of XS (X = Ti, V, Cr, Mn, Fe, Co, Ni) binary compounds

NASA Astrophysics Data System (ADS)

Liu, Yangzhen; Xing, Jiandong; Fu, Hanguang; Li, Yefei; Sun, Liang; Lv, Zheng

2017-08-01

The properties of sulfides are important in the design of new iron-steel materials. In this study, first-principles calculations were used to estimate the structural stability, mechanical properties, electronic structures and thermal properties of XS (X = Ti, V, Cr, Mn, Fe, Co, Ni) binary compounds. The results reveal that these XS binary compounds are thermodynamically stable, because their formation enthalpy is negative. The elastic constants, Cij, and moduli (B, G, E) were investigated using stress-strain and Voigt-Reuss-Hill approximation, respectively. The sulfide anisotropy was discussed from an anisotropic index and three-dimensional surface contours. The electronic structures reveal that the bonding characteristics of the XS compounds are a mixture of metallic and covalent bonds. Using a quasi-harmonic Debye approximation, the heat capacity at constant pressure and constant volume was estimated. NiS possesses the largest CP and CV of the sulfides.

Symmetry breaking in the planar configurations of disilicon tetrahalides: Pseudo-Jahn-Teller effect parameters, hardness and electronegativity.

PubMed

Kouchakzadeh, Ghazaleh; Nori-Shargh, Davood

2015-11-21

CCSD(T), MP2, LC-BLYP, LC-ωPBE and B3LYP methods with the Def2-TZVPP basis set and natural bond orbital (NBO) interpretations were performed to investigate the correlations between the Pseudo-Jahn-Teller Effect (PJTE) parameters [i.e. vibronic coupling constant values (F), energy gaps between reference states (Δ) and the primary force constant (K0)], structural and configurational properties, global hardness, global electronegativity, natural bond orders, stabilization energies associated with electron delocalizations and natural atomic charges of disilicon tetrafluoride (1), disilicon tetrachloride (2), disilicon tetrabromide (3) and disilicon tetraiodide (4). All levels of theory showed the trans-bent (C2h) configurations as the energy minimum structures of compounds 1-4, and the flap angles between the X2Si planes and the Si=Si bonds in the distorted (C2h) configurations decrease from compound 1 to compound 4. The negative curvatures of the ground state electronic configurations and the positive curvatures of the excited states of the adiabatic potential energy surfaces (APESs) which resulted from the mixing of the ground Ag and excited B2g states are due to the PJTE (i.e. PJT(Ag + B2g) ⊗ b2g problem). Contrary to the usual expectation, with the decrease of the energy gaps between reference states (Δ), the PJTE stabilization energy, E(PJT), decreases from compound 1 to compound 4. The canonical molecular orbital (CMO) analysis revealed that the contributions of the ψ(HOMO)(b3u) and ψL(UMO)(b1u) molecular orbitals in the vibronic coupling constant (F) decrease from compound 1 to compound 4. This fact clearly justifies the decrease of the vibronic coupling constant (F) and the primary force constant (the force constant without the PJTE) values on going from compound 1 to compound 4, leading to the decrease of the negative curvatures of the ground state electronic configuration curves of their corresponding APESs. The results obtained showed that the stabilization energies associated with the mixing of the distorted donor π(Si-Si)(b(u)) bonding and acceptor σ(Si-Si)*(b(u)) antibonding orbitals along the b2g bending distortions decrease from compound 1 to compound 4. This fact reasonably explains the increase of the Si-Si natural bond orders (nbo) on going from compound 1 to compound 4. With the increase of the Si-Si natural bond orders, the corresponding E(PJT) decreases from compound 1 to compound 4. Importantly, the variations of the global hardness (η) differences (Δ[η(C2h) - η(D2h)]) do not correlate with the trend observed for their corresponding total energy differences, justifying that the configurational properties of compounds 1-4 do not obey the maximum hardness principle. Interestingly, the trans-bent (C2h) configurations of compounds 1-4 are more electronegative than their corresponding planar (D2h) forms and the variations of their global electronegativity (χ) differences (Δ[χ(C2h) - χ(D2h)]) succeed in accounting for the decrease of the E(PJT) stabilization energies for the D2h → C2h conversion processes on going from compound 1 to compound 4.

Research by the U.S. Geological Survey on organic materials in water

USGS Publications Warehouse

Baker, Robert Andrew

1976-01-01

The U.S. Geological Survey has responsibility for investigating the Nation's water resources for source, availability, quantity, and quality. This paper describes the Geological Survey's research on organic substances in water and fluvial sediments. Results and ongoing studies are examined. Typical research includes: Separation, concentration, and chromatographic identification of volatile acids; free-flow electrophoresis fractionation of natural organic materials; identification of chlorinated insecticides in suspended sediments and bottom materials; fate of organics following underground disposal; determination of humic and fulvic acid stability constants and characterizations; identification of low-molecular weight chloroorganic constituents in water; PCB (polychlorinated biphenyl compound) distribution in aquatic environments; dissolved organic carbon in ground water; and improvement in separation and concentration schemes prior to analyses.

Broadband reflection of polymer-stabilized chiral nematic liquid crystals induced by a chiral azobenzene compound.

PubMed

Chen, Xingwu; Wang, Ling; Chen, Yinjie; Li, Chenyue; Hou, Guoyan; Liu, Xin; Zhang, Xiaoguang; He, Wanli; Yang, Huai

2014-01-21

A chiral nematic liquid crystal-photopolymerizable monomer-chiral azobenzene compound composite was prepared and then polymerized under UV irradiation. The reflection wavelength of the composite can be extended to cover the 1000-2400 nm range and also be adjusted to the visible light region by controlling the concentration of chiral compounds.

Development of antioxidative effect in ice cream with Kalakai (Stenochlaena palustris) water extract

NASA Astrophysics Data System (ADS)

Hadhiwaluyo, Kristania; Rahmawati, Della; Gunawan Puteri, Maria D. P. T.

2017-11-01

Kalakai (Stenochlaena. palustris) extract was used to develop the ice cream. The antioxidant activity of the extracts and its stability over process and storage were evaluated through various antioxidant assay including DPPH assay, Folin-Ciocalteau assay and aluminum chloride colorimetric method. In general, the leaves of S. palustris had a significantly higher antioxidant activity (p < 0.05) than the branches and approximately, 0.10 mg/ml S. palustris leaves extract was able to develop antioxidant activity (IC50) with suitable iron content (< 0.3 mg/l) that could be used to produce ice cream without affecting the sensory properties of the ice cream. In addition, the high phenolic and flavonoid content also suggest the more compounds that were capable to act as an antioxidant. The result of the stability test also suggested the ability low temperature storage and processing in maintaining the stability of the antioxidant activity of the extract (p > 0.05) over processing and storage. Thus, this strengthen the feasibility of S. palustris to be used as a potential functional food ingredient that is low cost and easily accessible with an antioxidant activity and safe iron content that is beneficial to increase the quality of food produced including in ice cream.

78 FR 9823 - Air Quality: Revision to Definition of Volatile Organic Compounds-Exclusion of a Group of Four...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-02-12

... Air Quality: Revision to Definition of Volatile Organic Compounds--Exclusion of a Group of Four... amending its definition of VOC at 40 CFR 51.100(s) to exclude a group of four HFPE's identified as HCF 2... adds four chemical compounds to the list of compounds excluded from the definition of VOC on the basis...

Predicting the Quality of Pasteurized Vegetables Using Kinetic Models: A Review

PubMed Central

Aamir, Muhammad; Ovissipour, Mahmoudreza; Sablani, Shyam S.; Rasco, Barbara

2013-01-01

A resurgence in interest examining thermal pasteurization technologies has been driven by demands for “cleaner” labeling and the need of organic and natural foods markets for suitable preventive measures to impede microbial growth and extend shelf life of minimally processed foods and ready-to-eat foods with a concomitant reduction in the use of chemical preservatives. This review describes the effects of thermal pasteurization on vegetable quality attributes including altering flavor and texture to improve consumer acceptability, stabilizing color, improving digestibility, palatability and retaining bioavailability of important nutrients, and bioactive compounds. Here, we provide kinetic parameters for inactivation of viral and bacterial pathogens and their surrogates and marker enzymes used to monitor process effectiveness in a variety of plant food items. Data on thermal processing protocols leading to higher retention and bioactivity are also presented. Thermal inactivation of foodborne viruses and pathogenic bacteria, specifically at lower pasteurization temperatures or via new technologies such as dielectric heating, can lead to greater retention of “fresh-like” properties. PMID:26904594

Biomass-directed synthesis of 20 g high-quality boron nitride nanosheets for thermoconductive polymeric composites.

PubMed

Wang, Xue-Bin; Weng, Qunhong; Wang, Xi; Li, Xia; Zhang, Jun; Liu, Fei; Jiang, Xiang-Fen; Guo, Hongxuan; Xu, Ningsheng; Golberg, Dmitri; Bando, Yoshio

2014-09-23

Electrically insulating boron nitride (BN) nanosheets possess thermal conductivity similar to and thermal and chemical stabilities superior to those of electrically conductive graphenes. Currently the production and application of BN nanosheets are rather limited due to the complexity of the BN binary compound growth, as opposed to massive graphene production. Here we have developed the original strategy "biomass-directed on-site synthesis" toward mass production of high-crystal-quality BN nanosheets. The strikingly effective, reliable, and high-throughput (dozens of grams) synthesis is directed by diverse biomass sources through the carbothermal reduction of gaseous boron oxide species. The produced BN nanosheets are single crystalline, laterally large, and atomically thin. Additionally, they assemble themselves into the same macroscopic shapes peculiar to original biomasses. The nanosheets are further utilized for making thermoconductive and electrically insulating epoxy/BN composites with a 14-fold increase in thermal conductivity, which are envisaged to be particularly valuable for future high-performance electronic packaging materials.

Potential of bacteriocins from lab to improve microbial quality of dry-cured and fermented meat products.

PubMed

Kęska, Paulina; Stadnik, Joanna; Zielińska, Dorota; Kołożyn-Krajewska, Danuta

2017-01-01

Meat and meat products are an important component of the daily diet. Nevertheless, they are perishable goods and are prone to microbial contamination, which leads to an increased risk to the health of consumers as well as economic losses in the meat industry. Fermentation has been used for thousands of years to preserve meat. As a result of extensive biochemical reactions occurring in meat during fermentation and ripening, the condi- tions inhibiting the growth of pathogenic and spoilage bacteria are formed. These changes are catalyzed by endogenous meat enzymes and exogenous enzymes derived from natural contaminating bacteria or starter cultures applied. In dry-cured and fermented meat products they are represented mainly by lactic acid bacte- ria (LAB) that produce a wide range of compounds, such as bacteriocins, directed against other microorgan- isms. The use of bactericidal peptides does not affect the sensory quality of foodstuffs, so that they attract attention as alternative means of preserving the stability and safety of dry-cured products.

Efficient first-principles prediction of solid stability: Towards chemical accuracy

NASA Astrophysics Data System (ADS)

Zhang, Yubo; Kitchaev, Daniil A.; Yang, Julia; Chen, Tina; Dacek, Stephen T.; Sarmiento-Pérez, Rafael A.; Marques, Maguel A. L.; Peng, Haowei; Ceder, Gerbrand; Perdew, John P.; Sun, Jianwei

2018-03-01

The question of material stability is of fundamental importance to any analysis of system properties in condensed matter physics and materials science. The ability to evaluate chemical stability, i.e., whether a stoichiometry will persist in some chemical environment, and structure selection, i.e. what crystal structure a stoichiometry will adopt, is critical to the prediction of materials synthesis, reactivity and properties. Here, we demonstrate that density functional theory, with the recently developed strongly constrained and appropriately normed (SCAN) functional, has advanced to a point where both facets of the stability problem can be reliably and efficiently predicted for main group compounds, while transition metal compounds are improved but remain a challenge. SCAN therefore offers a robust model for a significant portion of the periodic table, presenting an opportunity for the development of novel materials and the study of fine phase transformations even in largely unexplored systems with little to no experimental data.

Mediating chemical reactions using polysaccharides

NASA Astrophysics Data System (ADS)

Tyler, Lauren E.

We have studied the NaBH4-mediated hydrogenation of select alkenes catalyzed by polysaccharide-stabilized nanoparticles. We compared the catalytic properties of Ni-based nanoparticles or Au/Co-based nanoparticles on the hydrogenation of cinnamic acid, cinnamide, cinnamyl alcohol, and ethyl cinnamate. We evaluated the possibility that the type of stabilizing polysaccharide surrounding the nanoparticle may affect the selectivity towards the alkene compounds that undergo the hydrogenation reaction. We found that the hydrogenation of cinnamide or ethyl cinnamate proceeded readily to 100% completion independent of the type of polysaccharide stabilizing the nanoparticle. However, the extent of the hydrogenation of cinnamyl alcohol and cinnamic acid varied greatly depending on the type of polysaccharide stabilizing the nanoparticle. In the course of these studies, we observed that some polysaccharides by themselves promoted the hydrolysis of ethyl cinnamate. Thus, we have raised the hypothesis that some polysaccharides may act as "esterases" and explored the interaction between select polysaccharides and a variety of ester compounds.

Theoretical Studies on Structures and Relative Stability for Polynitrohexaazaadamantanes

NASA Astrophysics Data System (ADS)

Xu, Xiao-juan; Xiao, He-ming; Wang, Gui-xiang; Ju, Xue-hai

2006-10-01

The density function theory at the B3LYP/6-31G* level was employed to study the structures, including the total energies (EZPE), the geometries, the oxygen balances (OB100), the dipole moments, of polynitro-hexaazaadamantanes (PNHAAs) and the potential candidates of high energy density compounds (HEDCs). The structural parameters of PNHAAs, such as the the maximum N—NO2 bond length (LBmax), the least N—N Mulliken population (BN—N), the least negative charge on the nitro group (QNO2) and OB100, were studied to predict their relative stability or sensitivity (the easiness for initiating a detonation, high sensitivity means low stability). It was found that the same conclusion was drawn from the four parameters. With the number of nitro groups increasing, the stabilities of these compounds decrease. OB100 failed in identifying the isomers, but the EZPE energy and the dipole moment were considered to give more reliable results for the isomers.

Molecular docking and dynamics simulation analyses unraveling the differential enzymatic catalysis by plant and fungal laccases with respect to lignin biosynthesis and degradation.

PubMed

Awasthi, Manika; Jaiswal, Nivedita; Singh, Swati; Pandey, Veda P; Dwivedi, Upendra N

2015-09-01

Laccase, widely distributed in bacteria, fungi, and plants, catalyzes the oxidation of wide range of compounds. With regards to one of the important physiological functions, plant laccases are considered to catalyze lignin biosynthesis while fungal laccases are considered for lignin degradation. The present study was undertaken to explain this dual function of laccases using in-silico molecular docking and dynamics simulation approaches. Modeling and superimposition analyses of one each representative of plant and fungal laccases, namely, Populus trichocarpa and Trametes versicolor, respectively, revealed low level of similarity in the folding of two laccases at 3D levels. Docking analyses revealed significantly higher binding efficiency for lignin model compounds, in proportion to their size, for fungal laccase as compared to that of plant laccase. Residues interacting with the model compounds at the respective enzyme active sites were found to be in conformity with their role in lignin biosynthesis and degradation. Molecular dynamics simulation analyses for the stability of docked complexes of plant and fungal laccases with lignin model compounds revealed that tetrameric lignin model compound remains attached to the active site of fungal laccase throughout the simulation period, while it protrudes outwards from the active site of plant laccase. Stability of these complexes was further analyzed on the basis of binding energy which revealed significantly higher stability of fungal laccase with tetrameric compound than that of plant. The overall data suggested a situation favorable for the degradation of lignin polymer by fungal laccase while its synthesis by plant laccase.

Stability Analysis of the Slowed-Rotor Compound Helicopter Configuration

NASA Technical Reports Server (NTRS)

Johnson, Wayne; Floros, Matthew W.

2004-01-01

The stability and control of rotors at high advance ratio are considered. Teetering, articulated, gimbaled, and rigid hub types are considered for a compound helicopter (rotor and fixed wing). Stability predictions obtained using an analytical rigid flapping blade analysis, a rigid blade CAMRAD II model, and an elastic blade CAMRAD II model are compared. For the flapping blade analysis, the teetering rotor is the most stable, 5howing no instabilities up to an advance ratio of 3 and a Lock number of 18. With an elastic blade model, the teetering rotor is unstable at an advance ratio of 1.5. Analysis of the trim controls and blade flapping shows that for small positive collective pitch, trim can be maintained without excessive control input or flapping angles.

Stability of Diazoxide in Extemporaneously Compounded Oral Suspensions

PubMed Central

Friciu, Mihaela; Zaraa, Sarra; Roullin, V. Gaëlle

2016-01-01

The objective of this study was to evaluate the stability of diazoxide in extemporaneously compounded oral suspensions. Oral suspensions of diazoxide 10 mg/mL were prepared from either bulk drug or capsules dispersed in either Oral Mix or Oral Mix Sugar Free. These suspensions were stored at 5°C and 25°C/60%RH in bottles and oral syringes for a total of 90 days. At predetermined time intervals, suspensions were inspected for homogeneity, color or odor change; the pH was measured and the concentration of diazoxide was evaluated by ultraviolet detection using a stability-indicating high pressure liquid chromatography method. All preparations were demonstrated to be chemically stable for at least 90 days. PMID:27727306

77 FR 52606 - Approval and Promulgation of Air Quality Implementation Plans; Indiana; Volatile Organic...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-08-30

... Promulgation of Air Quality Implementation Plans; Indiana; Volatile Organic Compounds; Architectural and... sets limits on the amount of volatile organic compounds (VOC) in architectural and industrial... Indiana SIP a new rule within Title 326, Article 8 ``Volatile Organic Compound Rules'' that limits the VOC...

76 FR 41086 - Approval and Promulgation of Air Quality Implementation Plans; Ohio; Volatile Organic Compound...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-07-13

... Promulgation of Air Quality Implementation Plans; Ohio; Volatile Organic Compound Reinforced Plastic Composites... compound (VOC) emissions from reinforced plastic composites production operations. This rule applies to any facility that has reinforced plastic composites production operations. This rule is approvable because it...

On-line measurements of emissions and atmospheric fate of compounds from agricultural waste management

USDA-ARS?s Scientific Manuscript database

Agricultural emissions impact air quality on a local and regional basis. Research on the emissions and reduction of greenhouse gases from agriculture has become commonplace due to concerns about climate but other chemical compounds also impact air quality. These include compounds that are photochemi...

Insulin pumps and insulin quality--requirements and problems.

PubMed

Brange, J; Havelund, S

1983-01-01

In developing insulin solution suitable for delivery devices the chemical and biological stability, as well as the physical stability, must be taken into consideration. Addition of certain mono- and disaccharides increases the physical stability of neutral insulin solutions, but concurrently the chemical and biological stability decrease to an unacceptable degree. Addition of Ca-ions in low concentrations offers a physiologically acceptable method for stabilizing neutral insulin solutions against heat precipitation without affecting the quality, including the chemical and biological stability.

QTL validation and stability for volatile organic compounds (VOCs) in apple.

PubMed

Costa, Fabrizio; Cappellin, Luca; Zini, Elena; Patocchi, Andrea; Kellerhals, Markus; Komjanc, Matteo; Gessler, Cesare; Biasioli, Franco

2013-10-01

The aroma trait in apple is a key factor for fruit quality strongly affecting the consumer appreciation, and its detection and analysis is often an extremely laborious and time consuming procedure. Molecular markers associated to this trait can to date represent a valuable selection tool to overcome these limitations. QTL mapping is the first step in the process of targeting valuable molecular markers to be employed in marker-assisted breeding programmes (MAB). However, a validation step is usually required before a newly identified molecular marker can be implemented in marker-assisted selection. In this work the position of a set of QTLs associated to volatile organic compounds (VOCs) was confirmed and validated in three different environments in Switzerland, namely Wädenswil, Conthey and Cadenazzo, where the progeny 'Fiesta×Discovery' was replicated. For both QTL identification and validation, the phenotypic data were represented by VOCs produced by mature apple fruit and assessed with a Proton Transfer Reaction-Mass Spectrometer (PTR-MS) instrument. The QTL-VOC combined analysis performed among these three locations validated the presence of important QTLs in three specific genomic regions, two located in the linkage group 2 and one in linkage group 15, respectively, for compounds related to esters (m/z 43, 61 and 131) and to the hormone ethylene (m/z 28). The QTL set presented here confirmed that in apple some compounds are highly genetically regulated and stable across environments. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

New twisted intermetallic compound superconductor: A concept

NASA Technical Reports Server (NTRS)

Coles, W. D.; Brown, G. V.; Laurence, J. C.

1972-01-01

Method for processing Nb3Sn and other intermetallic compound superconductors produces a twisted, stabilized wire or tube which can be used to wind electromagnetics, armatures, rotors, and field windings for motors and generators as well as other magnetic devices.

Phenolic Compounds in Apple (Malus x domestica Borkh.): Compounds Characterization and Stability during Postharvest and after Processing

PubMed Central

Francini, Alessandra; Sebastiani, Luca

2013-01-01

This paper summarizes the information on the occurrence of phenolic compounds in apple (Malus x domestica Borkh.) fruit and juice, with special reference to their health related properties. As phytochemical molecules belonging to polyphenols are numerous, we will focus on the main apples phenolic compounds with special reference to changes induced by apple cultivar, breeding approaches, fruit postharvest and transformation into juice. PMID:26784345

Thermal Stability Characteristics of Nitroaromatic Compounds.

DTIC Science & Technology

1986-09-15

of a methyl ortho to the nitro group in nitroaromatic compounds introduces a new element into the decomposition behavior of such compounds. Inasmuch...thus without the aid of acid, base or photon catalysis. It is clear that the presence of a methyl ortho to the nitro group in nitroaromatic compounds...particular interest in terms of the substance of this work is the drastic change in reaction product when a methyl group is ortho to the nitro . Furthermore

Effect on orange juice of batch pasteurization in an improved pilot-scale microwave oven.

PubMed

Cinquanta, L; Albanese, D; Cuccurullo, G; Di Matteo, M

2010-01-01

The effects on orange juice batch pasteurization in an improved pilot-scale microwave (MW) oven was evaluated by monitoring pectin methyl-esterase (PME) activity, color, carotenoid compounds and vitamin C content. Trials were performed on stirred orange juice heated at different temperatures (60, 70, 75, and 85 degrees C) during batch process. MW pilot plant allowed real-time temperature control of samples using proportional integrative derivative (PID) techniques based on the infrared thermography temperature read-out. The inactivation of heat sensitive fraction of PME, that verifies orange juice pasteurization, showed a z-value of 22.1 degrees C. Carotenoid content, responsible for sensorial and nutritional quality in fresh juices, decreased by about 13% after MW pasteurization at 70 degrees C for 1 min. Total of 7 carotenoid compounds were quantified during MW heating: zeaxanthin and beta-carotene content decreased by about 26%, while no differences (P < 0.05) were found for beta-cryptoxanthin in the same trial. A slight decrease in vitamin C content was monitored after MW heating. Results showed that MW heating with a fine temperature control could result in promising stabilization treatments.

FoodWiki: Ontology-Driven Mobile Safe Food Consumption System.

PubMed

Çelik, Duygu

2015-01-01

An ontology-driven safe food consumption mobile system is considered. Over 3,000 compounds are being added to processed food, with numerous effects on the food: to add color, stabilize, texturize, preserve, sweeten, thicken, add flavor, soften, emulsify, and so forth. According to World Health Organization, governments have lately focused on legislation to reduce such ingredients or compounds in manufactured foods as they may have side effects causing health risks such as heart disease, cancer, diabetes, allergens, and obesity. By supervising what and how much to eat as well as what not to eat, we can maximize a patient's life quality through avoidance of unhealthy ingredients. Smart e-health systems with powerful knowledge bases can provide suggestions of appropriate foods to individuals. Next-generation smart knowledgebase systems will not only include traditional syntactic-based search, which limits the utility of the search results, but will also provide semantics for rich searching. In this paper, performance of concept matching of food ingredients is semantic-based, meaning that it runs its own semantic based rule set to infer meaningful results through the proposed Ontology-Driven Mobile Safe Food Consumption System (FoodWiki).

Improving the lipid profile of ready-to-cook meat products by addition of omega-3 microcapsules: effect on oxidation and sensory analysis.

PubMed

Pérez-Palacios, Trinidad; Ruiz-Carrascal, Jorge; Jiménez-Martín, Estefanía; Solomando, Juan Carlos; Antequera, Teresa

2018-04-15

The omega-3 enrichment of ready-to-cook meat products by microencapsulated fish oil (MFO) addition was analyzed. Accordingly, three batches of chicken nuggets were prepared: (i) control (C); (ii) enriched in bulk fish oil (BFO); and (iii) with added MFO. Sensory features, acceptability, oxidative stability and volatile compounds were analyzed. MFO nuggets did not differ from C ones with respect to any sensory trait. BFO showed increased juiciness and saltiness but decreased meat flavor. Acceptability was not affected by enrichment. Consumers were not able to differentiate between C and MFO in a triangle test, although they could clearly identify BFO nuggets. Higher levels of lipid and protein oxidation indicators and of volatile compounds from fatty acid oxidation were found in BFO nuggets compared to C and MFO nuggets. Enrichment of ready-to-cook meat products in omega-3 fatty acids with MFO provides both lipid and protein oxidative protection without changes in sensory quality. © 2018 Society of Chemical Industry. © 2018 Society of Chemical Industry.

Assessing stability and performance of a digitally enabled supply chain: Retrospective of a pilot in Uttar Pradesh, India.

PubMed

Gilbert, Sarah Skye; Thakare, Neeraj; Ramanujapuram, Arun; Akkihal, Anup

2017-04-19

Immunization supply chains in low resource settings do not always reach children with necessary vaccines. Digital information systems can enable real time visibility of inventory and improve vaccine availability. In 2014, a digital, mobile/web-based information system was implemented in two districts of Uttar Pradesh, India. This retrospective investigates improvements and stabilization of supply chain performance following introduction of the digital information system. All data were collected via the digital information system between March 2014 and September 2015. Data included metadata and transaction logs providing information about users, facilities, and vaccines. Metrics evaluated include adoption (system access, timeliness and completeness), data quality (error rates), and performance (stock availability on immunization session days, replenishment response duration, rate of zero stock events). Stability was defined as the phase in which quality and performance metrics achieved equilibrium rates with minimal volatility. The analysis compared performance across different facilities and vaccines. Adoption appeared sufficiently high from the onset to commence stability measures of data quality and supply chain performance. Data quality stabilized from month 3 onwards, and supply chain performance stabilized from month 13 onwards. For data quality, error rates reduced by two thirds post stabilization. Although vaccine availability remained high throughout the pilot, the three lowest-performing facilities improved from 91.05% pre-stability to 98.70% post-stability (p<0.01; t-test). Average replenishment duration (as a corrective response to stock-out events) decreased 52.3% from 4.93days to 2.35days (p<0.01; t-test). Diphtheria-tetanus-pertussis vaccine was significantly less likely to be stocked out than any other material. The results suggest that given sufficient adoption, stability is sequentially achieved, beginning with data quality, and then performance. Identifying when a pilot stabilizes can enable more predictable, reliable cost estimates, and outcome forecasts in the scale-up phase. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

Metabolic stability for drug discovery and development: pharmacokinetic and biochemical challenges.

PubMed

Masimirembwa, Collen M; Bredberg, Ulf; Andersson, Tommy B

2003-01-01

Metabolic stability refers to the susceptibility of compounds to biotransformation in the context of selecting and/or designing drugs with favourable pharmacokinetic properties. Metabolic stability results are usually reported as measures of intrinsic clearance, from which secondary pharmacokinetic parameters such as bioavailability and half-life can be calculated when other data on volume of distribution and fraction absorbed are available. Since these parameters are very important in defining the pharmacological and toxicological profile of drugs as well as patient compliance, the pharmaceutical industry has a particular interest in optimising for metabolic stability during the drug discovery and development process. In the early phases of drug discovery, new chemical entities cannot be administered to humans; hence, predictions of these properties have to be made from in vivo animal, in vitro cellular/subcellular and computational systems. The utility of these systems to define the metabolic stability of compounds that is predictive of the human situation will be reviewed here. The timing of performing the studies in the discovery process and the impact of recent advances in research on drug absorption, distribution, metabolism and excretion (ADME) will be evaluated with respect to the scope and depth of metabolic stability issues. Quantitative prediction of in vivo clearance from in vitro metabolism data has, for many compounds, been shown to be poor in retrospective studies. One explanation for this may be that there are components used in the equations for scaling that are missing or uncertain and should be an area of more research. For example, as a result of increased biochemical understanding of drug metabolism, old assumptions (e.g. that the liver is the principal site of first-pass metabolism) need revision and new knowledge (e.g. the relationship between transporters and drug metabolising enzymes) needs to be incorporated into in vitro-in vivo correlation models. With ADME parameters increasingly being determined on automated platforms, instead of using results from high throughput screening (HTS) campaigns as simple go/no-go filters, the time saved and the many compounds analysed using the robots should be invested in careful processing of the data. A logical step would be to investigate the potential to construct computational models to understand the factors governing metabolic stability. A rational approach to the use of HTS assays should aim to screen for many properties (e.g. physicochemical parameters, absorption, metabolism, protein binding, pharmacokinetics in animals and pharmacology) in an integrated manner rather than screen against one property on many compounds, since it is likely that the final drug will represent a global average of these properties.

Stability of Dexmedetomidine in 0.9% Sodium Chloride in Two Types of Intravenous Infusion Bags.

PubMed

Marquis, Kathleen; Hohlfelder, Benjamin; Szumita, Paul M

2017-01-01

Dexmedetomidine is a frequently used sedative in the critical care setting. It is commercially available as a 4-mg/mL premixed compound or as 200-mcg/2-mL vials that must be further diluted prior to administration. However, limited data exist regarding the stability of dexmedetomidine admixtures compounded from the 200-mcg/2-mL vials, particularly for durations greater than 48 hours. Therefore, we performed stability testing on compounded dexmedetomidine prepared in two types of intravenous infusion bags for 14 days. Dexmedetomidine is available as 200-mcg/2-mL vials for dilution, 80-mcg/20-mL single-dose vials, and as 200-mcg/50-mL and 400-mcg/100-mL glass bottles. The stability of dexmedetomidine admixtures has previously been tested for 48 hours. The purpose of this analysis was to test the stability of dexmedetomidine admixtures for 14 days. Six dexmedetomidine admixtures of 200 mcg/50 mL were compounded in polyvinyl chloride and non-polyvinyl chloride bags, three of which were stored under refrigeration and three of which were kept at room temperature. High-performance liquid chromatography testing was performed to determine the concentration at Days 1 through 14. Stability was determined by taking the mean concentration of samples taken from each bag. All samples were tested in duplicate. A sample was considered stable if the concentration was greater than 90% of the original concentration. All samples retained over 90% of the drug under their respective storage conditions for the duration of the study. At time 0, the concentration of dexmedetomidine was between 3.99 mcg/mL and 4.01 mcg/mL. On Day 14, the mean concentration was between 95.8% and 98.9%, depending on the bag type and storage condition. The pH remained between 4.7 and 5.8 during the study period as has previously been reported in the literature. Dexmedetomidine admixtures of 200 mcg/50 mL were stable in both polyvinyl chloride bags and non-polyvinyl chloride bags for 14 days under refrigeration and 48 hours at room temperature. This represents the longest time allowable under United States Pharmacopeia Chapter <797> without the need for sterility testing. Copyright© by International Journal of Pharmaceutical Compounding, Inc.

Avocado, sunflower and olive oils as replacers of pork back-fat in burger patties: effect on lipid composition, oxidative stability and quality traits.

PubMed

Rodríguez-Carpena, J G; Morcuende, D; Estévez, M

2012-01-01

The present study investigates the effects of avocado, sunflower and olive oils used as back-fat replacers, on the fatty acid composition, oxidative stability, volatiles profile and color and texture properties of cooked pork patties. The vegetable oils modified the fatty acid profiles of the patties by lowering the percentages of SFA (from 36.96% to ~25.30%) and reducing the atherogenic index (from 0.41 to ~0.24). Vegetable oils had higher amounts of antioxidant compounds such as tocopherols (10.8-53.9 mg/100 g) than back-fat (5.9 mg/100 g). Consistently, patties manufactured with the oils had significantly lower amounts of lipid and protein oxidation products than control patties. Avocado oil contributed with specific aroma-active terpenes to patties and had a significant impact on particular color and texture parameters. The results from this study highlight the technological applications of the vegetable oils as food ingredients in the design of healthier meat commodities. Copyright © 2011 Elsevier Ltd. All rights reserved.

hcp-Co nanowires grown on metallic foams as catalysts for the Fischer-Tropsch synthesis.

PubMed

Soulantica, Katerina; Harmel, Justine; Peres, Laurent; Estrader, Marta; Berliet, Adrien; Maury, Sylvie; Fécant, Antoine; Chaudret, Bruno; Serp, Philippe

2018-06-12

The possibility to control the structural characteristics of the active phase of supported catalysts offers the opportunity to improve catalyst performance, especially in structure sensitive catalytic reactions. In parallel, heat management is of critical importance for the catalytic performance in highly endo- or exothermic reactions. The Fisher-Tropsch synthesis (FTS) is a structure sensitive exothermic reaction, which enables catalytic transformation of syngas to high quality liquid fuels. We have elaborated monolithic cobalt based heterogeneous catalysts through a wet chemistry approach that allows control over nanocrystal shape and crystallographic phase, while at the same time enables heat management. Copper and nickel foams have been employed as supports for the epitaxial growth of hcp-Co nanowires, directly from a solution containing a coordination compound of cobalt and stabilizing ligands. The Co/Cufoam catalyst has been tested for the Fischer-Tropsch synthesis in fixed bed reactor, showing stability, and significantly superior activity and selectivity towards C5+ compared to a Co/SiO2-Al2O3 reference catalyst under the same conditions. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A Comparative Study of Structural Stability and Mechanical and Optical Properties of Fluorapatite (Ca5(PO4)3F) and Lithium Disilicate (Li2Si2O5) Components Forming Dental Glass-Ceramics: First Principles Study

NASA Astrophysics Data System (ADS)

Biskri, Z. E.; Rached, H.; Bouchear, M.; Rached, D.; Aida, M. S.

2016-10-01

The aim of this paper is a comparative study of structural stability and mechanical and optical properties of fluorapatite (FA) (Ca5(PO4)3F) and lithium disilicate (LD) (Li2Si2O5), using the first principles pseudopotential method based on density functional theory (DFT) within the generalized gradient approximation (GGA). The stability of fluorapatite and lithium disilicate compounds has been evaluated on the basis of their formation enthalpies. The results show that fluorapatite is more energetically stable than lithium disilicate. The independent elastic constants and related mechanical properties, including bulk modulus ( B), shear modulus ( G), Young's modulus ( E) and Poisson's ratio ( ν) as well as the Vickers hardness ( H v), have been calculated for fluorapatite compound and compared with other theoretical and experimental results. The obtained values of the shear modulus, Young's modulus and Vickers hardness are smaller in comparison with those of lithium disilicate compound, implying that lithium disilicate is more rigid than fluorapatite. The brittle and ductile properties were also discussed using B/ G ratio and Poisson's ratio. Optical properties such as refractive index n( ω), extinction coefficient k( ω), absorption coefficient α( ω) and optical reflectivity R( ω) have been determined from the calculations of the complex dielectric function ɛ( ω), and interpreted on the basis of the electronic structures of both compounds. The calculated values of static dielectric constant ɛ 1(0) and static refractive index n(0) show that the Li2Si2O5 compound has larger values compared to those of the Ca5(PO4)3F compound. The results of the extinction coefficient show that Li2Si2O5 compound exhibits a much stronger ultraviolet absorption. According to the absorption and reflectivity spectra, we inferred that both compounds are theoretically the best visible and infrared transparent materials.

Effect of operation parameters on the flux stabilization of gravity-driven membrane (GDM) filtration system for decentralized water supply.

PubMed

Tang, Xiaobin; Ding, An; Qu, Fangshu; Jia, Ruibao; Chang, Haiqing; Cheng, Xiaoxiang; Liu, Bin; Li, Guibai; Liang, Heng

2016-08-01

A pilot-scale gravity-driven membrane (GDM) filtration system under low gravitational pressure without any pre-treatment, backwash, flushing, or chemical cleaning was carried out to investigate the effect of operation parameters (including operation pressure, aeration mode, and intermittent filtration) on the effluent quality and permeability development. The results revealed that GDM system exhibited an efficient performance for the removal of suspended substances and organic compounds. The stabilization of flux occurred and the average values of stable flux were 6.6, 8.1, and 8.6 Lm(-2) h(-1) for pressures of 65, 120, and 200 mbar, respectively. In contrast, flux stabilization was not observed under continuous and intermittent aeration conditions. However, aeration (especially continuous aeration) was effective to improve flux and alleviate membrane fouling during 1-month operation. Moreover, intermittent filtration would influence the stabilization of permeate flux, resulting in a higher stable flux (ranging from 6 to 13 Lm(-2) h(-1)). The stable flux significantly improved with the increase of intermittent period. Additionally, GDM systems exhibited an efficient recovery of flux after simple physical cleaning and the analyses of resistance reversibility demonstrated that most of the total resistance was hydraulic reversible resistance (50-75 %). Therefore, it is expected that the results of this study can develop strategies to increase membrane permeability and reduce energy consumption in GDM systems for decentralized water supply.

Comparison of Adsorption/Desorption of Volatile Organic Compounds (VOCs) on Electrospun Nanofibers with Tenax TA for Potential Application in Sampling

PubMed Central

Chu, Lanling; Deng, Siwei; Zhao, Renshan; Deng, Jianjun; Kang, Xuejun

2016-01-01

The objective of this study was to compare the adsorption/desorption of target compounds on homemade electrospun nanofibers, polystyrene (PS) nanofibers, acrylic resin (AR) nanofibers and PS-AR composite nanofibers with Tenax TA. Ten volatile organic compounds (VOCs) were analyzed by preconcentration onto different sorbents followed by desorption (thermal and solvent orderly) and analysis by capillary gas chromatography. In comparison to Tenax TA, the electrospun nanofibers displayed a significant advantage in desorption efficiency and adsorption selectivity. Stability studies were conducted as a comparative experiment between PS-AR nanofibers and Tenax TA using toluene as the model compound. No stability problems were observed upon storage of toluene on both PS-AR nanofibers and Tenax TA over 60 hours period when maintained in an ultra-freezer (−80°C). The nanofibers provided slightly better stability for the adsorbed analytes than Tenax TA under other storage conditions. In addition, the nanofibers also provided slightly better precision than Tenax TA. The quantitative adsorption of PS-AR nanofibers exhibited a good linearity, as evidenced by the 0.988–0.999 range of regression coefficients (R). These results suggest that for VOCs sampling the electrospun nanofibers can be a potential ideal adsorbent. PMID:27776140

Recrystallization of nifedipine and felodipine from amorphous molecular level solid dispersions containing poly(vinylpyrrolidone) and sorbed water.

PubMed

Marsac, Patrick J; Konno, Hajime; Rumondor, Alfred C F; Taylor, Lynne S

2008-03-01

To compare the physical stability of amorphous molecular level solid dispersions of nifedipine and felodipine, in the presence of poly(vinylpyrrolidone) (PVP) and small amounts of moisture. Thin amorphous films of nifedipine and felodipine and amorphous molecular level solid dispersions with PVP were stored at various relative humidities (RH) and the nucleation rate was measured. The amount of water sorbed at each RH was measured using isothermal vapor sorption and glass transition temperatures (Tg) were determined using differential scanning calorimetry. The solubility of each compound in methyl pyrrolidone was measured as a function of water content. Nifedipine crystallizes more easily than felodipine at any given polymer concentration and in the presence of moisture. The glass transition temperatures of each compound, alone and in the presence of PVP, are statistically equivalent at any given water content. The nifedipine systems are significantly more hygroscopic than the corresponding felodipine systems. Variations in the physical stability of the two compounds could not be explained by differences in Tg. However, the relative physical stability is consistent with differences in the degree of supersaturation of each drug in the solid dispersion, treating the polymer and water as a co-solvent system for each drug compound.

Simple and rapid quality control of sulfated glycans by a fluorescence sensor assay--exemplarily developed for the sulfated polysaccharides from red algae Delesseria sanguinea.

PubMed

Lühn, Susanne; Grimm, Juliane C; Alban, Susanne

2014-04-10

Sulfated polysaccharides (SP) from algae are of great interest due to their manifold biological activities. Obstacles to commercial (especially medical) application include considerable variability and complex chemical composition making the analysis and the quality control challenging. The aim of this study was to evaluate a simple microplate assay for screening the quality of SP. It is based on the fluorescence intensity (FI) increase of the sensor molecule Polymer-H by SP and was originally developed for direct quantification of SP. Exemplarily, 65 SP batches isolated from the red alga Delesseria sanguinea (D.s.-SP) and several other algae polysaccharides were investigated. Their FI increase in the Polymer-H assay was compared with other analytical parameters. By testing just one concentration of a D.s.-SP sample, quality deviations from the reference D.s.-SP and thus both batch-to-batch variability and stability can be detected. Further, structurally distinct SP showed to differ in their concentration-dependent FI profiles. By using corresponding reference compounds, the Polymer-H assay is therefore applicable as identification assay with high negative predictability. In conclusion, the Polymer-H assay showed to represent not only a simple method for quantification, but also for characterization identification and differentiation of SP of marine origin.

Improving Quality of Shoe Soles Product using Six Sigma

NASA Astrophysics Data System (ADS)

Jesslyn Wijaya, Athalia; Trusaji, Wildan; Akbar, Muhammad; Ma’ruf, Anas; Irianto, Dradjad

2018-03-01

A manufacture in Bandung produce kind of rubber-based product i.e. trim, rice rollers, shoe soles, etc. After penetrating the shoe soles market, the manufacture has met customer with tight quality control. Based on the past data, defect level of this product was 18.08% that caused the manufacture’s loss of time and money. Quality improvement effort was done using six sigma method that included phases of define, measure, analyse, improve, and control (DMAIC). In the design phase, the object’s problem and definition were defined. Delphi method was also used in this phase to identify critical factors. In the measure phase, the existing process stability and sigma quality level were measured. Fishbone diagram and failure mode and effect analysis (FMEA) were used in the next phase to analyse the root cause and determine the priority issues. Improve phase was done by designing alternative improvement strategy using 5W1H method. Some improvement efforts were identified, i.e. (i) modifying design of the hanging rack, (ii) create pantone colour book and check sheet, (iii) provide pedestrian line at compound department, (iv) buying stop watch, and (v) modifying shoe soles dies. Some control strategies for continuous improvement were proposed such as SOP or reward and punishment system.

Field guide for collecting and processing stream-water samples for the National Water-Quality Assessment Program

USGS Publications Warehouse

Shelton, Larry R.

1994-01-01

The U.S. Geological Survey's National Water-Quality Assessment program includes extensive data- collection efforts to assess the quality of the Nations's streams. These studies require analyses of stream samples for major ions, nutrients, sediments, and organic contaminants. For the information to be comparable among studies in different parts of the Nation, consistent procedures specifically designed to produce uncontaminated samples for trace analysis in the laboratory are critical. This field guide describes the standard procedures for collecting and processing samples for major ions, nutrients, organic contaminants, sediment, and field analyses of conductivity, pH, alkalinity, and dissolved oxygen. Samples are collected and processed using modified and newly designed equipment made of Teflon to avoid contamination, including nonmetallic samplers (D-77 and DH-81) and a Teflon sample splitter. Field solid-phase extraction procedures developed to process samples for organic constituent analyses produce an extracted sample with stabilized compounds for more accurate results. Improvements to standard operational procedures include the use of processing chambers and capsule filtering systems. A modified collecting and processing procedure for organic carbon is designed to avoid contamination from equipment cleaned with methanol. Quality assurance is maintained by strict collecting and processing procedures, replicate sampling, equipment blank samples, and a rigid cleaning procedure using detergent, hydrochloric acid, and methanol.

E-Cadherin/β-Catenin Complex: A Target for Anticancer and Antimetastasis Plants/Plant-derived Compounds.

PubMed

Tafrihi, Majid; Nakhaei Sistani, Roohollah

2017-07-01

Plants reputed to have cancer-inhibiting potential and putative active components derived from those plants have emerged as an exciting new field in cancer study. Some of these compounds have cancer-inhibiting potential in different clinical staging levels, especially metastasis. A few of them which stabilize cell-cell adhesions are controversial topics. This review article introduces some effective herbal compounds that target E-cadherin/β-catenin protein complex. In this article, at first, we briefly review the structure and function of E-cadherin and β-catenin proteins, Wnt signaling pathway, and its target genes. Then, effective compounds of the Teucrium persicum, Teucrium polium, Allium sativum (garlic), Glycine max (soy), and Brassica oleracea (broccoli) plants, which influence stability and cellular localization of E-cadherin/β-catenin complex, were studied. Based on literature review, there are some compounds in these plants, including genistein of soy, sulforaphane of broccoli, organosulfur compounds of garlic, and the total extract of Teucrium genus that change the expression of variety of Wnt target genes such as MMPs, E-cadherin, p21, p53, c-myc, and cyclin D1. So they may induce cell-cycle arrest, apoptosis and/or inhibition of Epithelial-Mesenchymal Transition (EMT) and metastasis.

Density-functional theory computer simulations of CZTS0.25Se0.75 alloy phase diagrams

NASA Astrophysics Data System (ADS)

Chagarov, E.; Sardashti, K.; Haight, R.; Mitzi, D. B.; Kummel, A. C.

2016-08-01

Density-functional theory simulations of CZTS, CZTSe, and CZTS0.25Se0.75 photovoltaic compounds have been performed to investigate the stability of the CZTS0.25Se0.75 alloy vs. decomposition into CZTS, CZTSe, and other secondary compounds. The Gibbs energy for vibrational contributions was estimated by calculating phonon spectra and thermodynamic properties at finite temperatures. It was demonstrated that the CZTS0.25Se0.75 alloy is stabilized not by enthalpy of formation but primarily by the mixing contributions to the Gibbs energy. The Gibbs energy gains/losses for several decomposition reactions were calculated as a function of temperature with/without intermixing and vibration contributions to the Gibbs energy. A set of phase diagrams was built in the multidimensional space of chemical potentials at 300 K and 900 K temperatures to demonstrate alloy stability and boundary compounds at various chemical conditions. It demonstrated for CZTS0.25Se0.75 that the chemical potentials for stability differ between typical processing temperature (˜900 K) and operating temperature (300 K). This implies that as cooling progresses, the flux/concentration of S should be increased in MBE growth to maintain the CZTS0.25Se0.75 in a thermodynamically stable state to minimize phase decomposition.

Stability of Acetazolamide, Baclofen, Dipyridamole, Mebeverine Hydrochloride, Propylthiouracil, Quinidine Sulfate, and Topiramate Oral Suspensions in SyrSpend SF PH4.

PubMed

Ferreira, Anderson de Oliveira; Polonini, Hudson; da Silva, Sharlene Loures; Aglio, Natália Cristina Buzinari; Abreu, Jordana; Fernandes, Brandão Marcos Antônio

2017-01-01

The objective of this study was to evaluate the stability of 7 commonly used active pharmaceutical ingredients compounded in oral suspensions using an internationally used suspending vehicle (SyrSpend SF PH4): acetazolamide 25.0 mg/mL, baclofen 10.0 mg/mL, dipyridamole 10.0 mg/mL, mebeverine hydrochloride 10.0 mg/mL, propylthiouracil 5.0 mg/mL, quinidine sulfate 10.0 mg/mL, and topiramate 5.0 mg/mL. All suspensions were stored both at controlled refrigerated (2°C to 8°C) and room temperature (20°C to 25°C). Stability was assessed by measuring the percentage recovery at varying time points throughout a 90-day period. Active pharmaceutical ingredient quantification was performed by ultraviolet (UV) high-performance liquid chromatography, via a stability-indicating method. Given the percentage of recovery of the active pharmaceutical ingredients within the suspensions, the beyond-use date of the final products (active pharmaceutical ingredient + vehicle) was at least 90 days for all suspensions with regards to both temperatures. This suggests that SyrSpend SF PH4 is suitable for compounding active pharmaceutical ingredients from different pharmacological classes. Copyright© by International Journal of Pharmaceutical Compounding, Inc.

Production, Characterization, and Stability of Orange or Eucalyptus Essential Oil/β-Cyclodextrin Inclusion Complex.

PubMed

Kringel, Dianini Hüttner; Antunes, Mariana Dias; Klein, Bruna; Crizel, Rosane Lopes; Wagner, Roger; de Oliveira, Roberto Pedroso; Dias, Alvaro Renato Guerra; Zavareze, Elessandra da Rosa

2017-11-01

The aim of this study was to produce and characterize inclusion complexes (IC) between β-cyclodextrin (β-CD) and orange essential oil (OEO) or eucalyptus essential oil (EEO), and to compare these with their pure compounds and physical mixtures. The samples were evaluated by chemical composition, morphology, thermal stability, and volatile compounds by static headspace-gas chromatography (SH-GC). Comparing the free essential oil and physical mixture with the inclusion complex, of both essential oils (OEO and EEO), it was observed differences occurred in the chemical composition, thermal stability, and morphology. These differences show that there was the formation of the inclusion complex and demonstrate the necessity of the precipitation method used to guarantee the interaction between β-CD and essential oils. The slow loss of the volatile compounds from both essential oils, when complexed with β-CD, showed a higher stability when compared with their physical mixtures and free essential oils. Therefore, the results showed that the chemical composition, molecular size, and structure of the essential oils influence the characteristics of the inclusion complexes. The application of the β-CD in the formation of inclusion complexes with essential oils can expand the potential applications in foods. © 2017 Institute of Food Technologists®.

The Amino Acid Specificity for Activation of Phenylalanine Hydroxylase Matches the Specificity for Stabilization of Regulatory Domain Dimers

PubMed Central

2016-01-01

Liver phenylalanine hydroxylase is allosterically activated by phenylalanine. The structural changes that accompany activation have not been identified, but recent studies of the effects of phenylalanine on the isolated regulatory domain of the enzyme support a model in which phenylalanine binding promotes regulatory domain dimerization. Such a model predicts that compounds that stabilize the regulatory domain dimer will also activate the enzyme. Nuclear magnetic resonance spectroscopy and analytical ultracentrifugation were used to determine the ability of different amino acids and phenylalanine analogues to stabilize the regulatory domain dimer. The abilities of these compounds to activate the enzyme were analyzed by measuring their effects on the fluorescence change that accompanies activation and on the activity directly. At concentrations of 10–50 mM, d-phenylalanine, l-methionine, l-norleucine, and (S)-2-amino-3-phenyl-1-propanol were able to activate the enzyme to the same extent as 1 mM l-phenylalanine. Lower levels of activation were seen with l-4-aminophenylalanine, l-leucine, l-isoleucine, and 3-phenylpropionate. The ability of these compounds to stabilize the regulatory domain dimer agreed with their ability to activate the enzyme. These results support a model in which allosteric activation of phenylalanine hydroxylase is linked to dimerization of regulatory domains. PMID:26252467

Ceramification: A plutonium immobilization process

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

Rask, W.C.; Phillips, A.G.

1996-05-01

This paper describes a low temperature technique for stabilizing and immobilizing actinide compounds using a combination process/storage vessel of stainless steel, in which measured amounts of actinide nitrate solutions and actinide oxides (and/or residues) are systematically treated to yield a solid article. The chemical ceramic process is based on a coating technology that produces rare earth oxide coatings for defense applications involving plutonium. The final product of this application is a solid, coherent actinide oxide with process-generated encapsulation that has long-term environmental stability. Actinide compounds can be stabilized as pure materials for ease of re-use or as intimate mixtures withmore » additives such as rare earth oxides to increase their degree of proliferation resistance. Starting materials for the process can include nitrate solutions, powders, aggregates, sludges, incinerator ashes, and others. Agents such as cerium oxide or zirconium oxide may be added as powders or precursors to enhance the properties of the resulting solid product. Additives may be included to produce a final product suitable for use in nuclear fuel pellet production. The process is simple and reduces the time and expense for stabilizing plutonium compounds. It requires a very low equipment expenditure and can be readily implemented into existing gloveboxes. The process is easily conducted with less associated risk than proposed alternative technologies.« less

Metabolic fate of lactoferricin-based antimicrobial peptides: effect of truncation and incorporation of amino acid analogs on the in vitro metabolic stability.

PubMed

Svenson, Johan; Vergote, Valentijn; Karstad, Rasmus; Burvenich, Christian; Svendsen, John S; De Spiegeleer, Bart

2010-03-01

A series of promising truncated antibacterial tripeptides derived from lactoferricin has been prepared, and their in vitro metabolic stability in the main metabolic compartments, plasma, liver, kidney, stomach, duodenum, and brain, has been investigated for the first time. The potential stabilizing effect of truncation, C-terminal capping, and introduction of the bulky synthetic amino acid biphenylalanine is also investigated. The drug-like peptides displayed large differences in half-lives in the different matrixes ranging from 4.2 min in stomach and duodenum to 355.9 min in liver. Kinetic analysis of the metabolites revealed that several different degrading enzymes simultaneously target the different peptide bonds and that the outcome of the tested strategies to increase the stability is clearly enzyme-specific. Some of the metabolic enzymes even prefer the synthetic modifications incorporated over the natural counterparts. Collectively, it is shown that the necessary antibacterial pharmacophore generates compounds that are not only potent antibacterial peptides, but excellent substrates for the main degrading enzymes. All the amide bonds are thus rapidly targeted by different enzymes despite the short peptidic sequences of the tested compounds. Hence, our results illustrate that several structural changes are needed before these compounds can be considered for oral administration. Strategies to overcome such metabolic challenges are discussed.

Water-quality assessment of south-central Texas: Occurrence and distribution of volatile organic compounds in surface water and ground water, 1983-94, and implications for future monitoring

USGS Publications Warehouse

Ging, P.B.; Judd, L.J.; Wynn, K.H.

1997-01-01

The study area of the South-Central Texas study unit of the National Water-Quality Assessment Program comprises the Edwards aquifer in the San Antonio region and its catchment area. The first phase of the assessment includes evaluation of existing water-quality data for surface water and ground water, including volatile organic compounds, to determine the scope of planned monitoring. Most analyses of volatile organic compounds in surface water are from the National Pollutant Discharge Elimination System sites in San Antonio, Texas. Nine volatile organic compounds were detected at the six sites. The three compounds with the most detections at National Pollutant Discharge Elimination System sites are 1,2,4-trimethylbenzene, toluene, and xylene. Analysis of volatile organic compounds in ground water was limited to Edwards aquifer wells. Twenty-eight volatile organic compounds were detected in samples from 89 wells. The five most commonly detected compounds in samples from wells, in descending order, are tetrachloroethene, trichloroethene, bromoform, chloroform, and dibromochloromethane. Detections of volatile organic compounds in surface water and ground water within the South-Central Texas study area are limited to site-specific sources associated with development; therefore, planned monitoring for possible detections of volatile organic compounds as part of the National Water-Quality Assessment Program will emphasize areas of expanding population and development. Monitoring of volatile organic compounds is planned at National Pollutant Discharge Elimination System sites, at basic fixed surface-water sites, and in the ground-water study-unit surveys.

A small-scale hyperacute compound eye featuring active eye tremor: application to visual stabilization, target tracking, and short-range odometry.

PubMed

Colonnier, Fabien; Manecy, Augustin; Juston, Raphaël; Mallot, Hanspeter; Leitel, Robert; Floreano, Dario; Viollet, Stéphane

2015-02-25

In this study, a miniature artificial compound eye (15 mm in diameter) called the curved artificial compound eye (CurvACE) was endowed for the first time with hyperacuity, using similar micro-movements to those occurring in the fly's compound eye. A periodic micro-scanning movement of only a few degrees enables the vibrating compound eye to locate contrasting objects with a 40-fold greater resolution than that imposed by the interommatidial angle. In this study, we developed a new algorithm merging the output of 35 local processing units consisting of adjacent pairs of artificial ommatidia. The local measurements performed by each pair are processed in parallel with very few computational resources, which makes it possible to reach a high refresh rate of 500 Hz. An aerial robotic platform with two degrees of freedom equipped with the active CurvACE placed over naturally textured panels was able to assess its linear position accurately with respect to the environment thanks to its efficient gaze stabilization system. The algorithm was found to perform robustly at different light conditions as well as distance variations relative to the ground and featured small closed-loop positioning errors of the robot in the range of 45 mm. In addition, three tasks of interest were performed without having to change the algorithm: short-range odometry, visual stabilization, and tracking contrasting objects (hands) moving over a textured background.

Improved gyro-flotation /damping/ fluids

NASA Technical Reports Server (NTRS)

Jacobs, S. S.

1969-01-01

Synthesis of a metal-stabilized halophosphazene compound with a density of 3 gm/cc at 137 degrees F serves as an improved stabilizer fluid for floated gyros. Gyro sensitivity can be increased with a fluid of higher density which could support a heavier float.

DEMONSTRATION BULLETIN: SOLIDIFICATION/STABILIZATION OF ORGANIC/INORGANIC CONTAMINANTS - SILICATE TECHNOLOGY CORPORATION

EPA Science Inventory

Silicate Technology Corporation's (STC's) technology for treating hazardous waste utilizes silicate compounds to stabilize organic and inorganic constituents in contaminated soils and sludges. STC has developed two groups of reagents: SOILSORB HM for treating wastes with inorgan...

Elucidating the Higher Stability of Vanadium (V) Cations in Mixed Acid Based Redox Flow Battery Electrolytes

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

Vijayakumar, M.; Wang, Wei; Nie, Zimin

2013-11-01

The Vanadium (V) cation structures in mixed acid based electrolyte solution were analysed by density functional theory (DFT) based computational modelling and 51V and 35Cl Nuclear Magnetic Resonance (NMR) spectroscopy. The Vanadium (V) cation exists as di-nuclear [V2O3Cl2.6H2O]2+ compound at higher vanadium concentrations (≥1.75M). In particular, at high temperatures (>295K) this di-nuclear compound undergoes ligand exchange process with nearby solvent chlorine molecule and forms chlorine bonded [V2O3Cl2.6H2O]2+ compound. This chlorine bonded [V2O3Cl2.6H2O]2+ compound might be resistant to the de-protonation reaction which is the initial step in the precipitation reaction in Vanadium based electrolyte solutions. The combined theoretical and experimental approachmore » reveals that formation of chlorine bonded [V2O3Cl2.6H2O]2+ compound might be central to the observed higher thermal stability of mixed acid based Vanadium (V) electrolyte solutions.« less

Neutral Porphyrin Derivative Exerts Anticancer Activity by Targeting Cellular Topoisomerase I (Top1) and Promotes Apoptotic Cell Death without Stabilizing Top1-DNA Cleavage Complexes

PubMed Central

2017-01-01

Camptothecin (CPT) selectively traps topoisomerase 1-DNA cleavable complexes (Top1cc) to promote anticancer activity. Here, we report the design and synthesis of a new class of neutral porphyrin derivative 5,10-bis(4-carboxyphenyl)-15, 20-bis(4-dimethylaminophenyl)porphyrin (compound 8) as a potent catalytic inhibitor of human Top1. In contrast to CPT, compound 8 reversibly binds with the free enzyme and inhibits the formation of Top1cc and promotes reversal of the preformed Top1cc with CPT. Compound 8 induced inhibition of Top1cc formation in live cells was substantiated by fluorescence recovery after photobleaching (FRAP) assays. We established that MCF7 cells treated with compound 8 trigger proteasome-mediated Top1 degradation, accumulate higher levels of reactive oxygen species (ROS), PARP1 cleavage, oxidative DNA fragmentation, and stimulate apoptotic cell death without stabilizing apoptotic Top1-DNA cleavage complexes. Finally, compound 8 shows anticancer activity by targeting cellular Top1 and preventing the enzyme from directly participating in the apoptotic process. PMID:29290109

Study on the Preparation and Antileukemic Activity of New Lipophilic 1-β-D-arabinofuranosylcytosine Derivatives

NASA Astrophysics Data System (ADS)

Chu, Yanyan; Tian, Zhenhua; Hou, Yingwei; Li, Wenbao

2018-04-01

Cytarabine (1-β-D-arabinofuranosylcytosine, Ara-C), isolated from a Caribbean sponge species Tethyacrypta, is the first antitumor drug from a marine resource. In 1980, the US Food and Drug Administration approved this drug for the treatment of different types of leukemia. This drug has a short plasma half-life, low stability, limited bioavailability, and severe side effects. To improve stability and bioavailability, we synthesized nine novel derivatives by blocking the cytarabine metabolic sites and improving lipophilicity. The cLogP values of the newly synthesized compounds were calculated. All the synthesized compounds were more lipophilic than cytarabine, resulting in membrane permeability and bioavailability improvement. The antitumor activities against leukemia cell line HL-60 were evaluated by using the MTT assay. The bioassay results revealed that the IC50 values of compounds 5, 8 and 9 were 0.080, 0.090 and 0.057 μmol L-1, respectively, which was similar with that of cytarabine (0.056 μmol L-1). In comparison, compound 4 with a phosphate group at O5' was inactive. Because phosphoester bonds are easily hydrolyzed by alkaline phosphatase and are commonly used in producing prodrug strategies, compound 4 might also be metabolized in vivo and generate compound 3 or even cytarabine through a multi-step reaction. Thus, compound 4 might be a promising compound to be developed as a prodrug.

Hydrophobin-nanofibrillated cellulose stabilized emulsions for encapsulation and release of BCS class II drugs.

PubMed

Paukkonen, Heli; Ukkonen, Anni; Szilvay, Geza; Yliperttula, Marjo; Laaksonen, Timo

2017-03-30

The purpose of this study was to construct biopolymer-based oil-in-water emulsion formulations for encapsulation and release of poorly water soluble model compounds naproxen and ibuprofen. Class II hydrophobin protein HFBII from Trichoderma reesei was used as a surfactant to stabilize the oil/water interfaces of the emulsion droplets in the continuous aqueous phase. Nanofibrillated cellulose (NFC) was used as a viscosity modifier to further stabilize the emulsions and encapsulate protein coated oil droplets in NFC fiber network. The potential of both native and oxidized NFC were studied for this purpose. Various emulsion formulations were prepared and the abilities of different formulations to control the drug release rate of naproxen and ibuprofen, used as model compounds, were evaluated. The optimal formulation for sustained drug release consisted of 0.01% of drug, 0.1% HFBII, 0.15% oxidized NFC, 10% soybean oil and 90% water phase. By comparison, the use of native NFC in combination with HFBII resulted in an immediate drug release for both of the compounds. The results indicate that these NFC originated biopolymers are suitable for pharmaceutical emulsion formulations. The native and oxidized NFC grades can be used as emulsion stabilizers in sustained and immediate drug release applications. Furthermore, stabilization of the emulsions was achieved with low concentrations of both HFBII and NFC, which may be an advantage when compared to surfactant concentrations of conventional excipients traditionally used in pharmaceutical emulsion formulations. Copyright © 2017 Elsevier B.V. All rights reserved.

Molecular and Imaging Insights into the Formation of Soil Organic Matter in a Red Pine Rhizosphere

NASA Astrophysics Data System (ADS)

Dohnalkova, A.; Tfaily, M.; Smith, A. P.; Chu, R. K.; Crump, A.; Brislawn, C.; Varga, T.; Shi, Z.; Thomashow, L. S.; Harsh, J. B.; Balogh-Brunstad, Z.; Keller, C. K.

2017-12-01

Microbially-derived carbon inputs to soils play an important role in forming soil organic matter (SOM), but detailed knowledge of basic mechanisms of carbon (C) cycling, such as stabilization of organic C compounds originating from rhizodeposition, is limited. The objective of this study aimed to investigate the stability of rhizosphere-produced carbon components in a model laboratory mesocosm of Pinus resinosa grown in a designed mineral soil mix. We hypothesized that nutrient limitation would cause formation of microbially-produced C constituents that would contribute to SOM stabilization. We focused on the processes of rhizodeposition in the rhizosphere, and we utilized a suite of advanced imaging and molecular techniques to obtain a molecular-level identification of the microbial community and the newly-formed SOM compounds in the rhizosphere and the bulk soil. We considered implications regarding their degree of long-term stability. The microbes in this controlled, nutrient-limited system, without pre-existing organic matter, produced extracellular polymeric substances that formed associations with nutrient-bearing minerals and contributed to the microbial mineral weathering process. Electron microscopy revealed unique ultrastructural residual signatures of biogenic C compounds, and the increased presence of an amorphous organic phase associated with the mineral phase was evidenced by X-ray diffraction. These findings provide insight into the various degrees of stability of microbial SOM products in ecosystems and evidence that the residual biogenic material associated with mineral matrices may be important components in current carbon cycle models.

Consumer palatability scores and volatile beef flavor compounds of five USDA quality grades and four muscles.

PubMed

Legako, J F; Brooks, J C; O'Quinn, T G; Hagan, T D J; Polkinghorne, R; Farmer, L J; Miller, M F

2015-02-01

Proximate data, consumer palatability scores and volatile compounds were investigated for four beef muscles (Longissimus lumborum, Psoas major, Semimembranosus and Gluteus medius) and five USDA quality grades(Prime, Upper 2/3 Choice, Low Choice, Select, and Standard). Quality grade did not directly affect consumer scores or volatiles but interactions (P < 0.05) between muscle and grade were determined. Consumer scores and volatiles differed (P < 0.05) between muscles. Consumers scored Psoas major highest for tenderness, juiciness, flavor liking and overall liking, followed by Longissimus lumborum, Gluteus medius, and Semimembranosus (P < 0.05). Principal component analysis revealed clustering of compound classes, formed by related mechanisms. Volatile n-aldehydes were inversely related to percent fat. Increases in lipid oxidation compounds were associated with Gluteus medius and Semimembranosus, while greater quantities of sulfur-containing compounds were associated with Psoas major. Relationships between palatability scores and volatile compound classes suggest that differences in the pattern of volatile compounds may play a valuable role in explaining consumer liking.

Stability and compatibility assessment techniques for total parenteral nutrition admixtures: setting the bar according to pharmacopeial standards.

PubMed

Driscoll, David F

2005-05-01

The stability and compatibility of total parenteral nutrition mixtures compounded for patients requiring nutritional support is paramount to their safety on intravenous infusion. The most significant pharmaceutical issues associated with mixing total parenteral nutrition formulations affecting their safety involve the stability of lipid-injectable emulsions and the compatibility of calcium and phosphate salts. Methods of analysis for stability and compatibility have varied, and the assessments have mostly been largely qualitative. Although pharmacopeial standards have been primarily applicable to pharmaceutical manufacturers, recent efforts by the United States Pharmacopeia have been directed at standardizing pharmacy practices involved in the safe mixing of compounded sterile preparations. The adoption of chapter 797 entitled 'Pharmaceutical compounding - sterile preparations' on 1 January 2004 has had a dramatic impact on pharmacy practice in the United States. More recently, the United States Pharmacopeia has also proposed a new chapter 729 entitled 'Globule size distribution in lipid-injectable emulsions', setting specific limits on the sizes and concentrations of lipid droplets in the formulation, which may have implications for all-in-one mixtures. Finally, new efforts are under way to establish limits on the level of acceptable amounts of particulates intrinsically introduced by the manufacturer, and thus may have ramifications for particulates extrinsically introduced or initiated during compounding by the pharmacist. With careful monitoring and the development of appropriate pharmacopeial-based specifications that limit the size and concentration of large-diameter fat globules and eliminate the possibility of dibasic calcium phosphate precipitates, improved patient outcomes may be achieved.

Antimicrobial Activity of Aroma Compounds against Saccharomyces cerevisiae and Improvement of Microbiological Stability of Soft Drinks as Assessed by Logistic Regression▿

PubMed Central

Belletti, Nicoletta; Kamdem, Sylvain Sado; Patrignani, Francesca; Lanciotti, Rosalba; Covelli, Alessandro; Gardini, Fausto

2007-01-01

The combined effects of a mild heat treatment (55°C) and the presence of three aroma compounds [citron essential oil, citral, and (E)-2-hexenal] on the spoilage of noncarbonated beverages inoculated with different amounts of a Saccharomyces cerevisiae strain were evaluated. The results, expressed as growth/no growth, were elaborated using a logistic regression in order to assess the probability of beverage spoilage as a function of thermal treatment length, concentration of flavoring agents, and yeast inoculum. The logit models obtained for the three substances were extremely precise. The thermal treatment alone, even if prolonged for 20 min, was not able to prevent yeast growth. However, the presence of increasing concentrations of aroma compounds improved the stability of the products. The inhibiting effect of the compounds was enhanced by a prolonged thermal treatment. In fact, it influenced the vapor pressure of the molecules, which can easily interact within microbial membranes when they are in gaseous form. (E)-2-Hexenal showed a threshold level, related to initial inoculum and thermal treatment length, over which yeast growth was rapidly inhibited. Concentrations over 100 ppm of citral and thermal treatment longer than 16 min allowed a 90% probability of stability for bottles inoculated with 105 CFU/bottle. Citron gave the most interesting responses: beverages with 500 ppm of essential oil needed only 3 min of treatment to prevent yeast growth. In this framework, the logistic regression proved to be an important tool to study alternative hurdle strategies for the stabilization of noncarbonated beverages. PMID:17616627

Chemical properties and oxidative stability of Arjan (Amygdalus reuteri) kernel oil as emerging edible oil.

PubMed

Tavakoli, Javad; Emadi, Teymour; Hashemi, Seyed Mohammad Bagher; Mousavi Khaneghah, Amin; Munekata, Paulo Eduardo Sichetti; Lorenzo, Jose Manuel; Brnčić, Mladen; Barba, Francisco J

2018-05-01

The oxidative stability, as well as the chemical composition of Amygdalus reuteri kernel oil (ARKO), were evaluated and compared to those of Amygdalus scoparia kernel oil (ASKO) and extra virgin olive oil (EVOO) during and after holding in the oven (170 °C for 8 h). The oxidative stability analysis was carried out by measuring the changes in conjugated dienes, carbonyl and acid values as well as oil/oxidative stability index and their correlation with the antioxidant compounds (tocopherol, polyphenols, and sterol compounds). The oleic acid was determined as the predominant fatty acid of ARKO (65.5%). Calculated oxidizability value and an iodine value of ARKO, ASKO and EVOO were reported as 3.29 and 3.24, 2.00 and 100.0, 101.4 and 81.9, respectively. Due to the high wax content (4.5% and 3.3%, respectively), the saponification number of ARKO and ASKO (96.4 and 99.8, respectively) was lower than that of EVOO (169.7). ARKO had the highest oxidative stability, followed by ASKO and EVOO. Therefore, ARKO can be introduced as a new source of edible oil with high oxidative stability. Copyright © 2018. Published by Elsevier Ltd.

Surface-water-quality assessment of the Yakima River basin, Washington; distribution of pesticides and other organic compounds in water, sediment, and aquatic biota, 1987-91; with a section on dissolved organic carbon in the Yakima River basin

USGS Publications Warehouse

Rinella, Joseph F.; McKenzie, Stuart W.; Crawford, J. Kent; Foreman, William T.; Fuhrer, Gregory J.; Morace, Jennifer L.; Aiken, George R.

1999-01-01

During 1987-91, chemical data were collected for pesticides and other organic compounds in surface water, streambed sediment, suspended sediment, agricultural soil, and aquatic biota to determine the occurrence, distribution, transport, and fate of organic compounds in the Yakima River basin in Washington. The report describes the chemical and physical properties of the compounds most frequently detected in the water column; organochlorine compounds including DDT, organophosphorus compounds, thiocarbamate and sulfite compounds, acetamide and triazine compounds, and chlorophenoxy-acetic acid and benzoic compounds. Concentrations are evaluated relative to chronic-toxicity water quality criteria and guidelines for the protection of human health and freshwater aquatic life.

Integrating plant litter quality, soil organic matter stabilization, and the carbon saturation concept

USDA-ARS?s Scientific Manuscript database

Recent research suggests labile plant litters promote the stabilization of soil organic matter (SOM) in physico-chemically protected fractions with relatively slow turnover. However, the effect of litter quality on SOM stabilization is inconsistent. Labile, ‘high quality’ litters characterized by hi...

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

Hermann, Andrew T.; Wiley, John B.

The thermal stability and decomposition pathways of six Dion-Jacobson-related double-layered perovskites, ALaNb{sub 2}O{sub 7} (A = H, Li, Na, Ag) and (ACl)LaNb{sub 2}O{sub 7} (A = Fe, Cu), are investigated. These compounds are made by low temperature (<400 deg. C) ion exchange reactions from RbLaNb{sub 2}O{sub 7}. All the compounds are low temperature phases with some of them exhibiting decomposition exotherms consistent with metastability. Decomposition temperatures and reactions pathways vary with the identity of A with most decompositions resulting in the formation of a niobate (containing A) and LaNbO{sub 4}. Results from differential scanning calorimetry and high temperature X-ray powdermore » diffraction studies are presented and structural parameters pertinent to compound stability discussed.« less

Ab initio prediction of half-metallic properties for the ferromagnetic Heusler alloys Co2MSi (M=Ti,V,Cr)

NASA Astrophysics Data System (ADS)

Chen, Xing-Qiu; Podloucky, R.; Rogl, P.

2006-12-01

By means of density functional calculations, the magnetic and electronic properties and phase stabilities of the Heusler compounds Co2MSi (with M =Ti,V,Cr,Mn,Fe,Co,Ni) were investigated. Based on the calculated results, we predict the ferromagnetic phases of the compounds Co2TiSi, Co2VSi, and Co2CrSi to be half metals. Of particular interest is Co2CrSi because of its high density of majority-spin states at Fermi energy in combination with a reasonably high estimated Curie temperature of 747K. The compounds Co2TiSi and Co2VSi are thermodynamically stable, whereas Co2CrSi is of a metastable phase which might be stabilized by suitable experimental techniques.

Stability of Pharmaceuticals in Space

NASA Technical Reports Server (NTRS)

Nguyen, Y-Uyen

2009-01-01

Stability testing is a tool used to access shelf life and effects of storage conditions for pharmaceutical formulations. Early research from the International Space Station (ISS) revealed that some medications may have degraded while in space. This potential loss of medication efficacy would be very dangerous to Crew health. The aim of this research project, Stability of Pharmacotherapeutic Compounds, is to study how the stability of pharmaceutical compounds is affected by environmental conditions in space. Four identical pharmaceutical payload kits containing medications in different dosage forms (liquid for injection, tablet, capsule, ointment and suppository) were transported to the ISS aboard a Space Shuttle. One of the four kits was stored on that Shuttle and the other three were stored on the ISS for return to Earth at various time intervals aboard a pre-designated Shuttle flight. The Pharmacotherapeutics laboratory used stability test as defined by the United States Pharmacopeia (USP), to access the degree of degradation to the Payload kit medications that may have occurred during space flight. Once these medications returned, the results of stability test performed on them were compared to those from the matching ground controls stored on Earth. Analyses of the results obtained from physical and chemical stability assessments on these payload medications will provide researchers additional tools to promote safe and efficacious medications for space exploration.

PFAT5 and the Evolution of Lipid Admixture Stability.

PubMed

Klang, Mark G

2015-09-01

PFAT5 is defined by United States Pharmacopeia Chapter 729 as follows: the "percentage of fat residing in globules larger than 5 µm (PFAT5) for a given lipid injectable emulsion [is] not to exceed 0.05%." The unstable aggregates are trapped in lungs, liver, and the reticuloendothelial system. Large particles will accumulate in pulmonary capillaries, which are between 4 and 9 µm in diameter. Over the years, there has been an evolution of methods to characterize and define intravenous fat emulsion (IVFE) stability when combined as a total nutrient admixture (TNA). Many studies have claimed IVFE stability measuring mean particle size, zeta potential, and visual checks. Interestingly, none of the studies that claimed the TNA as stable identified an unstable one through testing. This report reviews those parameters and shows they were not a valid measure of lipid stability. The PFAT5 parameter has emerged as the only validated measure of lipid stability. There are clinical consequences of using lipids that exceed the PFAT5 limit. This parameter is applicable to both manufactured and compounded lipid preparations. The clinician should be aware of the limitations of much of the literature concerning the lipid stability assessment. More stability studies are needed using PFAT5 to identify the actual limits of TNA compounding. © 2015 American Society for Parenteral and Enteral Nutrition.

Three-dimensional desirability spaces for quality-by-design-based HPLC development.

PubMed

Mokhtar, Hatem I; Abdel-Salam, Randa A; Hadad, Ghada M

2015-04-01

In this study, three-dimensional desirability spaces were introduced as a graphical representation method of design space. This was illustrated in the context of application of quality-by-design concepts on development of a stability indicating gradient reversed-phase high-performance liquid chromatography method for the determination of vinpocetine and α-tocopheryl acetate in a capsule dosage form. A mechanistic retention model to optimize gradient time, initial organic solvent concentration and ternary solvent ratio was constructed for each compound from six experimental runs. Then, desirability function of each optimized criterion and subsequently the global desirability function were calculated throughout the knowledge space. The three-dimensional desirability spaces were plotted as zones exceeding a threshold value of desirability index in space defined by the three optimized method parameters. Probabilistic mapping of desirability index aided selection of design space within the potential desirability subspaces. Three-dimensional desirability spaces offered better visualization and potential design spaces for the method as a function of three method parameters with ability to assign priorities to this critical quality as compared with the corresponding resolution spaces. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

TiN-buffered substrates for photoelectrochemical measurements of oxynitride thin films

NASA Astrophysics Data System (ADS)

Pichler, Markus; Pergolesi, Daniele; Landsmann, Steve; Chawla, Vipin; Michler, Johann; Döbeli, Max; Wokaun, Alexander; Lippert, Thomas

2016-04-01

Developing novel materials for the conversion of solar to chemical energy is becoming an increasingly important endeavour. Perovskite compounds based on bandgap tunable oxynitrides represent an exciting class of novel photoactive materials. To date, literature mostly focuses on the characterization of oxynitride powder samples which have undeniable technological interest but do not allow the investigation of fundamental properties such as the role of the crystalline quality and/or the surface crystallographic orientation toward photo-catalytic activity. The challenge of growing high quality oxynitride thin films arises from the availability of a suitable substrate, owing to strict material and processing requirements: effective lattice matching, sufficiently high conductivities, stability under high temperatures and in strongly reducing environments. Here, we have established the foundations of a model system incorporating a TiN-buffer layer which enables fundamental investigations into crystallographic surface orientation and crystalline quality of the photocatalyst against photo(electro)chemical performance to be effectively performed. Furthermore, we find that TiN as current collector enables control over the nitrogen content of oxynitride thin films produced by a modified pulsed laser deposition method and allows the growth of highly ordered LaTiO3-xNx thin films.

Relationship between circadian rhythm amplitude and stability with sleep quality and sleepiness among shift nurses and health care workers.

PubMed

Jafari Roodbandi, Akram; Choobineh, Alireza; Daneshvar, Somayeh

2015-01-01

Sleep is affected by the circadian cycle and its features. Amplitude and stability of circadian rhythm are important parameters of the circadian cycle. This study aims to examine the relationship between amplitude and stability of circadian rhythm with sleep quality and sleepiness. In this cross-sectional research, 315 shift nurses and health care workers from educational hospitals of Kerman University of Medical Sciences (KUMS), Iran, were selected using a random sampling method. The Pittsburgh Sleep Quality Index (PSQI), Epworth Sleepiness Scale (ESS) and Circadian Type Inventory (CTI) were used to collect the required data. In this study, 83.2% suffered from poor sleep and one-half had moderate and excessive sleepiness. The results showed that flexibility in circadian rhythm stability, job stress and sleepiness are among the factors affecting quality sleep in shift workers. Those whose circadian rhythm amplitude was languid suffered more from sleepiness and those whose circadian stability was flexible had a better sleep. Variables including circadian rhythm stability (flexible/rigid) and amplitude (languid/vigorous) can act as predictive indices in order to employ people in a shift work system so that sleepiness and a drop in quality of sleep are prevented.

Radioiodinated branched carbohydrates

DOEpatents

Goodman, Mark M.; Knapp, Jr., Furn F.

1989-01-01

A radioiodinated branched carbohydrate for tissue imaging. Iodine-123 is stabilized in the compound by attaching it to a vinyl functional group that is on the carbohydrate. The compound exhibits good uptake and retention and is promising in the development of radiopharmaceuticals for brain, heart and tumor imaging.

Biochar in vineyards: impact on soil quality and crop yield four years after the application

NASA Astrophysics Data System (ADS)

Ferreira, Carla; Verheijen, Frank; Puga, João; Keizer, Jacob; Ferreira, António

2017-04-01

Biochar is a recalcitrant organic carbon compound, created by biomass heating at high temperatures (300-1000°C) under low oxygen concentrations. Biochar application to agricultural soils has received increasing attention over the last years, due to its climate change mitigation and adaptation potential and reported improved soil properties and functions relevant to agronomic and environmental performance. Reported impacts are linked with increased cation exchange capacity, enhanced nutrient and water retention, and positive influences on soil microbial communities, which influence crop yields. Nevertheless, few studies have focused on mid-to-long term impacts of biochar application. This study investigated the impact of biochar on soil quality and crop yield four years after biochar application in a vineyard in North-Central Portugal. The site has a Mediterranean climate with a strong Atlantic Ocean influence, with mean annual rainfall and temperature of 1100 mm and 15°C, respectively. The soil is a relatively deep ( 80cm) sandy loam Cambisol, with gentle slopes (3°). The experimental design included three treatments: (i) control, without biochar; (ii) high biochar application rate (40 ton/ha); and (iii) biochar compost (40 ton/ha, 10% biochar). Three plots per treatment (2m×3m) were installed in March 2012, using a mini-rotavator (0-15cm depth). In May 2016, soil quality was also assessed through soil surveys and sampling. Penetration resistance was performed at the soil surface with a pocket penetrometer, and soil surface sampling rings were used for bulk density analyses (100 cm3). Bulked soil samples (0-30 cm) were collected in each plot for aggregate stability, microbial biomass (by chloroform fumigation extraction) and net mineralization rate (through photometric determination of non-incubated and incubated samples). Decomposition rate and litter stabilisation was assessed over a 3-month period through the Tea Bag Index (Keuskamp et al., 2013). The number, type and biomass of earthworms was recorded in each plot, at the soil surface (through excavation, 30cm×30cm×30cm) and sub-surface (using a mustard-tap water solution in the excavated hole). Crop yield was evaluated during harvesting (August 2016), through the number and weight of grape clusters. The potential impact of biochar on grape quality was investigated by total acidity, pH, potential alcoholic strength and total sugar in must analyses. Four years after the application, plots with high biochar showed lowest soil resistance, slightly lower bulk density, higher crop yield and must quality, than control plots. However, the soil of biochar plots also displayed slightly lower aggregate stability, microbial biomass, number and biodiversity of earthworms, although higher net-N mineralization, decomposition rate and litter stabilization. Plots with biochar and compost showed lowest earthworms, decomposition rate and litter stabilization, but highest crop yield that the other two treatments. Nevertheless, minor differences between three treatment plots suggest that potential impacts of biochar on soil quality and crop yield may persist during a relatively short period.

[Morphine-antiemetics mixtures for continuous subcutaneous infusion in terminal cancer].

PubMed

Ottesen, S; Monrad, L

1992-05-30

Simultaneous pain, nausea and vomiting are not uncommon in terminal suffering requiring treatment with various compounds of analgesics and antiemetics. At Baerum Hospital the pump reservoirs for continuous, subcutaneous drug delivery are routinely filled by the hospital pharmacist. We examined the physico-chemical stability of various concentrations of mixtures of morphine-metoclopramide and morphine-metoclopramide-haloperidol at 25 degrees C. We found good stability for at least seven days. Addition of haloperidol seems to reduce stability. Plain morphine-haloperidol solutions are unstable. Split products were not found in any of the mixtures. We also examined the osmolality of current clinical compounds, focusing on local irritant effect at the infusion site. All solutions except for one with a high concentration of haloperidol were found to be close to isoosmolarl.

Effect of some nitrogen compounds thermal stability of jet A

NASA Technical Reports Server (NTRS)

Antoine, A. C.

1982-01-01

The effect of known concentrations of some nitrogen containing compounds on the thermal stability of a conventional fuel, namely, Jet A was investigated. The concentration range from 0.01 to 0.1 wt% nitrogen was examined. Solutions were made containing, individually, pyrrole, indole, quinoline, pyridine, and 4 ethylpyridine at 0.01, 0.03, 0.06, and 0.1 wt% nitrogen concentrations in Jet A. The measurements were all made by using a standard ASTM test for evaluating fuel thermal oxidation behavior, namely, ASTM D3241, 'thermal oxidation stability of turbine fuels (JFTOT procedure).' Measurements were made at two temperature settings, and 'breakpoint temperatures' were determined. The results show that the pyrrole and indole solutions have breakpoint temperatures substantially lower than those of the Jet A used.

Stability Analysis of the Slowed-Rotor Compound Helicopter Configuration

NASA Technical Reports Server (NTRS)

Floros, Matthew W.; Johnson, Wayne

2007-01-01

The stability and control of rotors at high advance ratio are considered. Teetering, articulated, gimbaled, and rigid hub types are considered for a compound helicopter (rotor and fixed wing). Stability predictions obtained using an analytical rigid flapping blade analysis, a rigid blade CAMRAD II model, and an elastic blade CAMRAD II model are compared. For the flapping blade analysis, the teetering rotor is the most stable, showing no instabilities up to an advance ratio of 3 and a Lock number of 18. A notional elastic blade model of a teetering rotor is unstable at an advance ratio of 1.5, independent of pitch frequency. Analysis of the trim controls and blade flapping shows that for small positive collective pitch, trim can be maintained without excessive control input or flapping angles.

Improved Stability of Proline-Derived Direct Thrombin Inhibitors through Hydroxyl to Heterocycle Replacement.

PubMed

Chobanian, Harry R; Pio, Barbara; Guo, Yan; Shen, Hong; Huffman, Mark A; Madeira, Maria; Salituro, Gino; Terebetski, Jenna L; Ormes, James; Jochnowitz, Nina; Hoos, Lizbeth; Zhou, Yuchen; Lewis, Dale; Hawes, Brian; Mitnaul, Lyndon; O'Neill, Kim; Ellsworth, Kenneth; Wang, Liangsu; Biftu, Tesfaye; Duffy, Joseph L

2015-05-14

Modification of the previously disclosed (S)-N-(2-(aminomethyl)-5-chlorobenzyl)-1-((R)-2-hydroxy-3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide 2 by optimization of the P3 group afforded novel, low molecular weight thrombin inhibitors. Heterocycle replacement of the hydroxyl functional group helped maintain thrombin in vitro potency while improving the chemical stability and pharmacokinetic profile. These modifications led to the identification of compound 10, which showed excellent selectivity over related serine proteases as well as in vivo efficacy in the rat arteriovenous shunt. Compound 10 exhibited significantly improved chemical stability and pharmacokinetic properties over 2 and may be utilized as a structurally differentiated preclinical tool comparator to dabigatran etexilate (Pro-1) to interrogate the on- and off-target effects of oral direct thrombin inhibitors.

Exploration of ethyl anthranilate-loaded monolithic matrix-type prophylactic polymeric patch.

PubMed

Islam, Johirul; Zaman, Kamaruz; Chakrabarti, Srijita; Bora, Nilutpal Sharma; Pathak, Manash Pratim; Mandal, Santa; Junejo, Julfikar Ali; Chattopadhyay, Pronobesh

2017-10-01

Compromised stability of pharmaceutical formulations loaded with volatiles is a serious problem associated with devices designed to deliver volatile compounds. The present study has been focused to evaluate the stability potential of matrix-type polymeric patches composed of volatile ethyl anthranilate for prophylaxis against vector-borne diseases. Ethyl anthranilate-loaded matrix-type polymeric patches were fabricated by solvent evaporation method on an impermeable backing membrane and attached to temporary release liners. Stability testing of the polymeric patches was performed as per the International Conference on Harmonization (ICH) guidelines for 6 months under accelerated conditions. In addition, the quantification of residual solvents was also performed as per the ICH guidelines. After conducting the stability studies for 6 months, the optimized patches showed the best possible results with respect to uniformity of drug content, physical appearance, and other analytical parameters. Furthermore, the amount of residual solvent was found well below the accepted limit. Thus, the present report outlined the analytical parameters to be evaluated to ensure the stability of a certain devices consisting of volatile compounds. Copyright © 2016. Published by Elsevier B.V.

Oxygen stabilization induced enhancement in J(sub c) and T(sub c) of superconducting oxides

NASA Technical Reports Server (NTRS)

Wu, M. K.; Chen, J. T.; Huang, C. Y.

1990-01-01

In an attempt to enhance the electrical and mechanical properties of the high temperature superconducting oxides, high T(sub c) composites were prepared composed of the 123 compounds and AgO. The presence of extra oxygen due to the decomposition of AgO at high temperature is found to stabilize the superconducting 123 phase. Ag is found to serve as clean flux for grain growth and precipitates as pinning center. Consequently, almost two orders of magnitude enhancement in critical current densities were also observed in these composites. In addition, these composites also show much improvement in workability and shape formation. On the other hand, proper oxygen treatment of Y5Ba6Cu11Oy was found to possibly stabilize superconducting phase with T(sub c) near 250 K. I-V, ac susceptibility, and electrical resistivity measurements indicate the existence of this ultra high T(sub c) phase in this compound. Detailed structure, microstructure, electrical, magnetic and thermal studies of the superconducting composites and the ultra high T(sub c) compound are presented and discussed.

Oxygen stabilization induced enhancement in superconducting characteristics of high-Tc oxides

NASA Technical Reports Server (NTRS)

Wu, M. K.; Chen, J. T.; Huang, C. Y.

1991-01-01

In an attempt to enhance the electrical and mechanical properties of the high temperature superconducting oxides, high T(sub c) composites were prepared composed of the 123 compounds and AgO. The presence of extra oxygen due to the decomposition of AgO at high temperature is found to stabilize the superconducting 123 phase. Ag is found to serve as clean flux for grain growth and precipitates as pinning center. Consequently, almost two orders of magnitude enhancement in critical current densities were also observed in these composites. In addition, these composites also show much improvement in workability and shape formation. On the other hand, proper oxygen treatment of Y5Ba6Cu11Oy was found to possibly stabilize superconducting phase with T(sub c) near 250 K. I-V, ac susceptibility, and electrical resistivity measurements indicate the existence of this ultra high T(sub c) phase in this compound. Detailed structure, microstructure, electrical, magnetic and thermal studies of the superconducting composites and the ultra high T(sub c) compound are presented and discussed.

Influence of water quench cooling on degassing and aroma stability of roasted coffee.

PubMed

Baggenstoss, Juerg; Poisson, Luigi; Luethi, Regina; Perren, Rainer; Escher, Felix

2007-08-08

Coffee roasting experiments with air cooling versus water quench cooling were carried out on laboratory scale with a fluidized-bed hot air roasting system (200 g batch size) and on production scale with a rotating bowl roaster (320 kg batch size). Two series of coffees with different water contents resulted, which were stored at 25 degrees C under normal atmospheric conditions. Carbon dioxide desorption was followed and stability of selected aroma compounds was tested with headspace solid-phase microextraction-gas chromatography-mass spectrometry (SPME-GC-MS) and stable isotope labeled compounds as internal standards. Degassing is faster in water-quenched coffees with higher moisture content, but pore size distribution in the different coffee samples did not correlate with degassing behavior. Bean firmness, which increases with increasing moisture content, might have an influence on degassing. Air- and water-quenched coffees exhibit similar stability of most aroma compounds despite different degassing behavior. However, evolution of dimethyl trisulfide was different in coffees with increased water content. This suggests higher thiol oxidation rates, a factor that is cited to be related to a faster loss of freshness attributes.

Changes in Soil Organic Matter Abundance, Molecular Composition, and Diversity in an Arid Ecosystem in Response to Long-term Elevated CO2 Manipulation.

NASA Astrophysics Data System (ADS)

Hess, N. J.; Tfaily, M.; Evans, R. D.; Koyama, A.

2017-12-01

Little is known about how soils in arid ecosystems will respond to rising atmospheric CO2 concentration yet arid and semi-arid ecosystems cover more than 40% of Earth's land surface. Previous work in the Mojave Desert (Evans et al., 2014 Nature Climate Change) reported higher soil organic carbon (SOC) and total nitrogen (N) concentrations following 10 years exposure to elevated atmospheric CO2 at the Nevada Desert Free-Air-Carbon dioxide-Enrichment (FACE) Facility (NDFF). In this study, we investigated potential mechanisms that resulted in increased SOC and total N accumulation and stabilization using high resolution mass spectrometry at the NDFF site. Samples were collected from soil profiles to 1 m in depth with a 0.2 m a increment under the dominant evergreen shrub Larrea tridentata. The differences in the molecular composition and diversity of soil organic matter (SOM) were more evident in surface soils and declined with depth, and were consistent with higher SOC and total N concentrations under elevated than ambient CO2. Our molecular analysis also suggested increased root exudation and/or microbial necromass from stabilization of labile C and N contributed to SOM and N stocks. Increased microbial activity and metabolism under elevated CO2 compared to ambient plots suggested that elevated CO2 altered microbial carbon (C) use patterns, reflecting changes in the quality and quantity of SOC inputs. We found that plant-derived compounds were primary substrates for microbial activity under elevated CO2 and microbial products were the main constituents of stabilized SOM. Our results suggest that arid ecosystems are a potential large C sink under elevated CO2, give the extensive coverage of the land surface, and that labile compounds are transformed to stable SOM via microbial processes. Arid systems are limited by water, and thus may have a different C storage potential under changing climates than other ecosystems that are limited by nitrogen or phosphorus.

Bioactive compounds and encapsulation of Yanang (Tiliacora triandra) leaves.

PubMed

Singthong, Jittra; Oonsivilai, Ratchadaporn; Oonmetta-Aree, Jirawan; Ningsanond, Suwayd

2014-01-01

Yanang (Tiliacora triandra) has been known as vegetable and herbal in northeast Thailand and Lao People's Democratic Republic. Extracts from Yanang leaves contain high amounts of polyphenol constituents possessing antioxidant activity. This work investigated bioactive compounds of Yanang extracts prepared by infusion with water, ethanol and acetone. Furthermore, this paper reports the design of the experimental method for optimization of Yanang encapsulation using three independent variables: the ratio of core material (Yanang), to wall material (gum Arabic), gum Arabic concentration and inlet temperature of spray drying on bioactive compounds stability. The stability of bioactive compounds was evaluated using phenolic compounds, total antioxidant, carotenoids and chlorophyll. The study of the bioactivity of Yanang extracts found that extraction with water was the appropriate application. The study of Yanang encapsulation demonstrated that gum Arabic, as coating agents, protected bioactive compounds of Yanang. Optimized condition for the encapsulation was at the ratio of core to wall {1:4}, in gum Arabic concentration 10% (w/v), and inlet temperature at 160▯C. The results show that the bioactive compounds were mainly affected by the ratio of core to wall material. Besides, moisture content and particle size of encapsulation depend on inlet temperature of spray drying, and gum Arabic concentration, respectively. This optimization reveals that the encapsulation process did not lose the bioactive compounds. Yanang extract with water was the main phenolic compound and showed high antioxidant activities. This study demonstrates the potentials of using spray drying process and optimization for the encapsulation of herbal products.

Differential nephrotoxicity of cisplatin and a novel series of traditional Chinese medicine-platinum anticancer agents correlates with their chemical reactivity towards sulfur-containing nucleophiles.

PubMed

To, Kenneth K W; Au-Yeung, Steve C F; Ho, Yee-Ping

2006-07-01

A series of novel traditional Chinese medicine-platinum compounds has been found to be active against a number of murine and human cancers both in vitro and in vivo. Their high potency and the lack of cisplatin cross-resistance are believed to be due to the inclusion of the protein phosphatase 2A-inhibiting demethylcantharidin in the novel structures. A simple reversed-phase high-performance liquid chromatographic method was developed and validated as a stability-indicating assay for the platinum compounds. Using cisplatin and carboplatin as reference compounds, the stability study agrees well with the literature-reported findings. The novel traditional Chinese medicine-platinum compounds were more stable than cisplatin in water and dextrose, but became unstable in normal saline, a characteristic similar to that of carboplatin. The developed assay was further applied to study the chemical reactivity of the novel platinum compounds towards physiologically important nucleophiles such as glutathione and cysteine. The novel compounds were considerably less reactive to the sulfur-containing nucleophiles than cisplatin. In-vitro cytotoxicity assay was performed in a porcine kidney LLC-PK1 cell line model to investigate the nephrotoxicity potential of the platinum compounds. The lower rate of hydrolysis and the decreased reactivity of the novel traditional Chinese medicine-platinum compounds towards sulfur-containing bionucleophiles appear to have reduced their toxicity when compared with cisplatin, yet the antitumor activities of the novel compounds have not been compromised.

Ultra-performance liquid chromatography/tandem mass spectrometric quantification of structurally diverse drug mixtures using an ESI-APCI multimode ionization source.

PubMed

Yu, Kate; Di, Li; Kerns, Edward; Li, Susan Q; Alden, Peter; Plumb, Robert S

2007-01-01

We report in this paper an ultra-performance liquid chromatography/tandem mass spectrometric (UPLC(R)/MS/MS) method utilizing an ESI-APCI multimode ionization source to quantify structurally diverse analytes. Eight commercial drugs were used as test compounds. Each LC injection was completed in 1 min using a UPLC system coupled with MS/MS multiple reaction monitoring (MRM) detection. Results from three separate sets of experiments are reported. In the first set of experiments, the eight test compounds were analyzed as a single mixture. The mass spectrometer was switching rapidly among four ionization modes (ESI+, ESI-, APCI-, and APCI+) during an LC run. Approximately 8-10 data points were collected across each LC peak. This was insufficient for a quantitative analysis. In the second set of experiments, four compounds were analyzed as a single mixture. The mass spectrometer was switching rapidly among four ionization modes during an LC run. Approximately 15 data points were obtained for each LC peak. Quantification results were obtained with a limit of detection (LOD) as low as 0.01 ng/mL. For the third set of experiments, the eight test compounds were analyzed as a batch. During each LC injection, a single compound was analyzed. The mass spectrometer was detecting at a particular ionization mode during each LC injection. More than 20 data points were obtained for each LC peak. Quantification results were also obtained. This single-compound analytical method was applied to a microsomal stability test. Compared with a typical HPLC method currently used for the microsomal stability test, the injection-to-injection cycle time was reduced to 1.5 min (UPLC method) from 3.5 min (HPLC method). The microsome stability results were comparable with those obtained by traditional HPLC/MS/MS.

78 FR 53029 - Air Quality: Revision to Definition of Volatile Organic Compounds-Exclusion of trans

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-28

... Air Quality: Revision to Definition of Volatile Organic Compounds--Exclusion of trans 1-chloro-3,3,3.... SUMMARY: The EPA is taking final action to revise the regulatory definition of volatile organic compounds..., June 16, 2010), and as a solvent for metals, electronics, and precision cleaning and in adhesives...

Quality Assessment of Compounded 17-hydroxyprogesterone Caproate

PubMed Central

Chang, Justine; Zhao, Yang; Zhao, WenChen; Venkataramanan, Raman; Caritis, Steve N.

2013-01-01

Objective To evaluate the quality of compounded 17-hydroxyprogesterone caproate (17-OHPC) Study Design Compounded 17-OHPC was obtained from 15 compounding pharmacies throughout the U.S. and analyzed for potency, impurities, sterility, and pyrogen status. Results Eighteen samples were supplied by 15 compounding pharmacies. The concentration of 17-OHPC in all samples was within the specification limits and all tested samples passed sterility and pyrogen testing. Only 1 of 18 samples was out of specification limits for impurities. Conclusion Compounded 17-OHPC obtained from 15 pharmacies throughout the U.S. did not raise safety concerns when assessed for potency, sterility, pyrogen status or impurities. PMID:24200163

Developing an Activity and Absorption-based Quality Control Platform for Chinese Traditional Medicine: Application to Zeng-Sheng-Ping

PubMed Central

Yin, Taijun; Yang, Guanyi; Ma, Yong; Xu, Beibei; Hu, Ming; You, Ming; Gao, Song

2015-01-01

Ethnopharmacological relevance Zeng-Sheng-Ping (ZSP) is a marketed Chinese traditional medicine used for cancer prevention. Aim of the study Currently, for the quality control of Chinese traditional medicines, marker compounds are not selected based on bioactivities and pharmaceutical behaviors in most of the cases. Therefore, even if the “quality” of the medicine is controlled, the pharmacological effect could still be inconsistent. The aim of this study is to establish an activity and absorption-based platform to select marker compound(s) for the quality control of Chinese traditional medicines. Materials and methods We used ZSP as a reference Chinese traditional medicine to establish the platform. Activity guided fractionation approach was used to purify the major components from ZSP. NMR and MS spectra were used to elucidate the structure of the isolated compounds. MTT assay against oral carcinoma cell line (SCC2095) was performed to evaluate the activities. UPLC-MS/MS was used to quantify the pure compounds in ZSP and the active fraction. The permeabilities of the identified compounds were evaluated in the Caco-2 cell culture model. The intracellular accumulation of the isolated compounds was evaluated in the SCC2095 cells. Results The major compounds were identified from ZSP. The contents, anti-proliferation activities, permeabilities, and intracellular accumulations of these compounds were also evaluated. The structure of these purified compounds were identified by comparing the NMR and MS data with those of references as rutaevine (1), limonin (2) , evodol (3), obacunone (4), fraxinellone (5), dictamnine (6), maackiain (7), trifolirhizin (8), and matrine (9). The IC50 of compounds 5, 6, and 7 against SCC2095 cells were significantly lower than that of ZSP. The uptake permeability of compounds 5, 6, and 7 were 2.58 ± 0. 3 × 10−5, 4.33 ± 0.5 × 10−5, and 4.27 ± 0.8 × 10−5 respectively in the Caco-2 cell culture model. The intracellular concentrations of these compounds showed that compounds 5, 6, and 7 were significantly accumulated inside the cells. Conclusion Based on the activity against oral carcinoma cell line as well as the absorption permeability, compound 5, 6, and 7 are selected as quality control markers for ZSP. A activity and absorption-based platform was established and successfully used for the quality control of ZSP. PMID:26099633

Construction of New Coordination Polymers from 4’-(2,4-disulfophenyl)- 3,2’:6’3”-terpyridine: Polymorphism, pH-dependent syntheses, structures, and properties

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

Zhang, Li; Li, Chao-Jie; He, Jia-En

Nine new coordination compounds, namely, [Co(HDSPTP){sub 2}(H{sub 2}O){sub 4}]·4H{sub 2}O (H{sub 2}DSPTP=4’-(2,4-disulfophenyl)-3,2’:6’3”-terpyridine, 1 and 2), {[Ni(DSPTP)(H_2O)_4]·3H_2O}{sub n} (3), {[Cu(HDSPTP)_2(H_2O)_3]·8H_2O}{sub n} (4), {[Cu(HDSPTP)_2(H_2O)_3]·6H_2O}{sub n} (5), {[Cu(DSPTP)(H_2O)_2]·H_2O}{sub n} (6), {[Zn(DSPTP)(H_2O)_2]·2H_2O}{sub n} (7), {[Cd(DSPTP)(H_2O)_2]·2H_2O}{sub n} (8), and [Ag{sub 2}(DSPTP)(H{sub 2}O)]{sub n} (9), were constructed based on a new ligand containing both terpyridyl and sulfo groups. The reactions of H{sub 2}DSPTP with Co(NO{sub 3}){sub 2}.6H{sub 2}O resulted in two mononuclear complexes (compounds 1 and 2). They are polymorphisms that display different hydrogen bonding networks. They are selectively synthesized by altering the added alkalis. The reaction of H{sub 2}DSPTP with Ni(NO{sub 3}){sub 2}·6H{sub 2}O resultedmore » in a 1D “S-shaped” coordination chain (compound 3). The reactions of Cu(II) with H{sub 2}DSPTP at different pH value resulted in the following three compounds: two kinds of 1D chains obtained at pH 3.0 and 4.0 for compounds 4 and 5, respectively, and a 3D framework based on binuclear ring units with 4-connected sra topology (Compound 6). The reactions of H{sub 2}DSPTP with ds-block ions resulted in the following three compounds: a Zn(II) (compound 7) and a Cd(II) (compound 8) 3D frameworks with structures similar to that in compound 6, and a 3D framework based on tetranuclear Ag(I) SBUs with binodal (4,8)-connected flu type 3D framework topology. The structural diversity is mainly attributed to the rich coordination modes (from monodentate to µ{sub 7}-mode) and conformations (cis–cis and cis–trans) of HDSPTP{sup −}/DSPTP{sup 2−} ligands and the metal center and can be controllable synthesized by altering the alkalis, and pH value. Thermal stability of all compounds was performed, and the thermal behaviors of compounds 6 and 8 were further explored by PXRD. Compound 6 exhibits low thermal stability and undergo a crystalline–crystalline-amorphous phase transition as temperature increases from 25 °C to 200 °C, and show amorphous–crystalline phase transition when rehydrated. However, compound 8 exhibits high thermal stability above 500 °C. Its crystalline phase can retain above 300 °C and undergo a crystalline–crystalline phase transition as temperature increased to 400 °C, and transit back to compound 8 when rehydrated. Moreover, luminescence properties of compounds 7–9 were also investigated. - Graphical abstract: Series of coordination compounds based on a new terpyridine-based ligand, 4’-(2,4-disulfophenyl)-3,2’:6’3’’-terpyridine, were constructed. The syntheses, structural diversity, thermal stability, phase transition, and luminescent properties of selected compounds were explored. - Highlights: • Nine coordination polymers based on a new terpyridine-based ligand were obtained. • Both metal ion and coordination modes of H2DSPTP affect the structural diversity. • The Co(II) compounds are polymorphisms. • The pH-dependent syntheses of Cu(II) compounds were observed. • Compounds 6 and 8 exhibit phase transmission as temperature increased.« less

AN HPLC METHOD WITH UV DETECTION, PH CONTROL, AND REDUCTIVE ASCORBIC ACID FOR CYANURIC ACID ANALYSIS IN WATER

EPA Science Inventory

Every year over 250 million pounds of cyanuric acid (CA) and chloroisocyanurates are produced industrially. These compounds are standard ingredients in formulations for household bleaches, industrial cleansers, dishwasher compounds, general sanitizers, and chlorine stabilizers. ...

Application of chitooligosaccharides as antioxidants in beer to improve the flavour stability by protecting against beer staling during storage.

PubMed

Yang, Fan; Luan, Bo; Sun, Zhen; Yang, Chao; Yu, Zhimin; Li, Xianzhen

2017-02-01

To improve beer flavour stability by adding chitooligosaccharides that prevent formation of staling compounds and also scavenge radicals in stale beer. Chitooligosaccharides, at 0.001-0.01%, inhibited the formation of staling compounds in forced aged beer. The formation of 5-hydroxymethylfurfural, trans-2-nonenal and phenylacetaldehyde were decreased by 105, 360 and 27%, respectively, when compared with those in stale beer without chitooligosaccharide addition. The capability of chitooligosaccharides to prevent staling compound formation depended on their molecular size (2 or 3 kDa). The DPPH/hydroxyl radical scavenging activity in fresh beer significantly lower than that in forced aged beer in the presence of chitooligosaccharides. When compared with stale beer without added chitooligosaccharides, the radical scavenging activity could be increased by adding chitooligosaccharides to forced aged beer. Chitooligosaccharides play an active part in the prevention of beer flavour deterioration by inhibiting the formation of staling compounds and increasing radical scavenging activity.

Storage stability of light cycle oil: Studies for the root substance of insoluble sediment formation

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

Motohashi, Katsunori; Nakazono, Kingo; Oki, Masami

1995-04-01

The storage stabilities of a raw and pretreated light cycle oils (LCOs) have been studied under the condition of ASTM D2274-88. The raw LCO was pretreated by five methods; 10% sulfuric acid-extraction, 10% sodium hydroxide-extraction, methanol-extraction, active clay- treatment, and catalytic hydrotreating. The raw and pretreated LCOs were aged at 95{degrees}C for 144 hours while oxygen was bubbled. The pretreatment except 10% sulfuric acid-extraction showed the decreasing sediments. After removing the sediments by filtration, the changes of component of the residual oils before and after aging, were analyzed by GUMS, GC/AED and GC/NPD. Remarkable changes were observed in nitrogen compoundsmore » such as anilines and indoles, sulfur compounds such as thiophenols, and oxygen compounds such as phenol and its derivatives. It was clarified that the sediment formation was caused by the mutual interactions among heteroatom-containing compounds mentioned above. In addition, unstable hydrocarbons were suggested to behave as key-compounds for sediment formation.« less

The physicochemical parameters of marker compounds and vehicles for use in in vitro percutaneous absorption studies.

PubMed

Kaca, Monika; Bock, Udo; Tawfik Jalal, Mohamed; Harms, Meike; Hoffmann, Christine; Müller-Goymann, Christel; Netzlaff, Frank; Schäfer, Ulrich; Lehr, Claus-Michael; Haltner-Ukomadu, Eleonore

2008-05-01

In order to prepare for a validation study to compare percutaneous absorption through reconstructed human epidermis with ex vivo skin absorption through human and animal skin, nine test compounds, covering a wide range of physicochemical properties were selected, namely: benzoic acid; caffeine; clotrimazole; digoxin; flufenamic acid; ivermectin; mannitol; nicotine; and testosterone. The donor and receptor media for the test substances, the addition of a solubiliser for the lipophilic compounds, as well as the stability and solubility of the test substances in the vehicles, were systematically analysed. Hydrophilic molecules, being freely soluble in water, were applied in buffered saline solutions. In order to overcome solubility restrictions for lipophilic compounds, the non-ionic surfactant, Igepal CA-630, was added to the donor vehicle, and, in the case of clotrimazole and ivermectin, also to the receptor fluid. The model molecules showed a suitable solubility and stability in the selected donor and receptor media throughout the whole duration of the test.

[Compounds modulating parathyroid hormone (PTH) secretion].

PubMed

Nagano, N; Iijima, H

2001-08-01

The control of parathyroid hormone (PTH) secretion is strictly regulated by the parathyroid Ca receptor (CaR). Calcimimetics and calcilytics selectively act on the parathyroid CaR to inhibit and enhance PTH secretion, respectively. According to the recent pharmacological two-state model, calcimimetics act on the CaR as allosteric agonists to stabilize an active conformation of CaR. Conversely, calcilytics act on the CaR as allosteric inverse agonists to stabilize an inactive conformation of CaR. These compounds that can alter circulating levels of PTH and bone turnover might provide novel treatments for adynamic bone disease in patients with chronic renal failure.

Economic evaluation of flying-qualities design criteria for a transport configured with relaxed static stability

NASA Technical Reports Server (NTRS)

Sliwa, S. M.

1980-01-01

Direct constrained parameter optimization was used to optimally size a medium range transport for minimum direct operating cost. Several stability and control constraints were varied to study the sensitivity of the configuration to specifying the unaugmented flying qualities of transports designed to take maximum advantage of relaxed static stability augmentation systems. Additionally, a number of handling qualities related design constants were studied with respect to their impact on the design.

Pre-clinical evaluation of eight DOTA coupled gastrin-releasing peptide receptor (GRP-R) ligands for in vivo targeting of receptor-expressing tumors.

PubMed

Accardo, Antonella; Galli, Filippo; Mansi, Rosalba; Del Pozzo, Luigi; Aurilio, Michela; Morisco, Anna; Ringhieri, Paola; Signore, Alberto; Morelli, Giancarlo; Aloj, Luigi

2016-12-01

Overexpression of the gastrin-releasing peptide receptor (GRP-R) has been documented in several human neoplasms such as breast, prostate, and ovarian cancer. There is growing interest in developing radiolabeled peptide-based ligands toward these receptors for the purpose of in vivo imaging and radionuclide therapy of GRP-R-overexpressing tumors. A number of different peptide sequences, isotopes, and labeling methods have been proposed for this purpose. The aim of this work is to perform a direct side-by-side comparison of different GRP-R binding peptides utilizing a single labeling strategy to identify the most suitable peptide sequence. Solid-phase synthesis of eight derivatives (BN1-8) designed based on literature analysis was carried out. Peptides were coupled to the DOTA chelator through a PEG4 spacer at the N-terminus. Derivatives were characterized for serum stability, binding affinity on PC-3 human prostate cancer cells, biodistribution in tumor-bearing mice, and gamma camera imaging at 1, 6, and 24 h after injection. Serum stability was quite variable among the different compounds with half-lives ranging from 16 to 400 min at 37 °C. All compounds tested showed K d values in the nanomolar range with the exception of BN3 that showed no binding. Biodistribution and imaging studies carried out for compounds BN1, BN4, BN7, and BN8 showed targeting of the GRP-R-positive tumors and the pancreas. The BN8 compound (DOTA-PEG-DPhe-Gln-Trp-Ala-Val-NMeGly-His-Sta-Leu-NH2) showed high affinity, the longest serum stability, and the highest target-to-background ratios in biodistribution and imaging experiments among the compounds tested. Our results indicate that the NMeGly for Gly substitution and the Sta-Leu substitution at the C-terminus confer high serum stability while maintaining high receptor affinity, resulting in biodistribution properties that outperform those of the other peptides.

Redox-Mediated Stabilization in Zinc Molybdenum Nitrides

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

Arca, Elisabetta; Lany, Stephan; Perkins, John D.

We report on the theoretical prediction and experimental realization of new ternary zinc molybdenum nitride compounds. We used theory to identify previously unknown ternary compounds in the Zn-Mo-N systems, Zn 3MoN 4 and ZnMoN 2, and to analyze their bonding environment. Experiments show that Zn-Mo-N alloys can form in broad composition range from Zn 3MoN 4 to ZnMoN 2 in the wurtzite-derived structure, accommodating very large off-stoichiometry. Interestingly, the measured wurtzite-derived structure of the alloys is metastable for the ZnMoN 2 stoichiometry, in contrast to the Zn 3MoN 4 stoichiometry, where ordered wurtzite is predicted to be the ground state.more » The formation of Zn 3MoN 4-ZnMoN 2 alloy with wurtzite-derived crystal structure is enabled by the concomitant ability of Mo to change oxidation state from +VI in Zn 3MoN 4 to +IV in ZnMoN 2, and the capability of Zn to contribute to the bonding states of both compounds, an effect that we define as 'redox-mediated stabilization.' The stabilization of Mo in both the +VI and +IV oxidation states is due to the intermediate electronegativity of Zn, which enables significant polar covalent bonding in both Zn 3MoN 4 and ZnMoN 2 compounds. The smooth change in the Mo oxidation state between Zn 3MoN 4 and ZnMoN 2 stoichiometries leads to a continuous change in optoelectronic properties - from resistive and semitransparent Zn 3MoN 4 to conductive and absorptive ZnMoN 2. The reported redox-mediated stabilization in zinc molybdenum nitrides suggests there might be many undiscovered ternary compounds with one metal having an intermediate electronegativity, enabling significant covalent bonding, and another metal capable of accommodating multiple oxidation states, enabling stoichiometric flexibility.« less

Redox-Mediated Stabilization in Zinc Molybdenum Nitrides

DOE PAGES

Arca, Elisabetta; Lany, Stephan; Perkins, John D.; ...

2018-03-01

We report on the theoretical prediction and experimental realization of new ternary zinc molybdenum nitride compounds. We used theory to identify previously unknown ternary compounds in the Zn-Mo-N systems, Zn 3MoN 4 and ZnMoN 2, and to analyze their bonding environment. Experiments show that Zn-Mo-N alloys can form in broad composition range from Zn 3MoN 4 to ZnMoN 2 in the wurtzite-derived structure, accommodating very large off-stoichiometry. Interestingly, the measured wurtzite-derived structure of the alloys is metastable for the ZnMoN 2 stoichiometry, in contrast to the Zn 3MoN 4 stoichiometry, where ordered wurtzite is predicted to be the ground state.more » The formation of Zn 3MoN 4-ZnMoN 2 alloy with wurtzite-derived crystal structure is enabled by the concomitant ability of Mo to change oxidation state from +VI in Zn 3MoN 4 to +IV in ZnMoN 2, and the capability of Zn to contribute to the bonding states of both compounds, an effect that we define as 'redox-mediated stabilization.' The stabilization of Mo in both the +VI and +IV oxidation states is due to the intermediate electronegativity of Zn, which enables significant polar covalent bonding in both Zn 3MoN 4 and ZnMoN 2 compounds. The smooth change in the Mo oxidation state between Zn 3MoN 4 and ZnMoN 2 stoichiometries leads to a continuous change in optoelectronic properties - from resistive and semitransparent Zn 3MoN 4 to conductive and absorptive ZnMoN 2. The reported redox-mediated stabilization in zinc molybdenum nitrides suggests there might be many undiscovered ternary compounds with one metal having an intermediate electronegativity, enabling significant covalent bonding, and another metal capable of accommodating multiple oxidation states, enabling stoichiometric flexibility.« less

Effect of light exposure on sensorial quality, concentrations of bioactive compounds and antioxidant capacity of radish microgreens during low temperature storage

USDA-ARS?s Scientific Manuscript database

Daikon radish microgreens constitute a good source of bioactive compounds. However, the quality deteriorates rapidly during postharvest storage. In this study, we investigated the effects of light exposure and modified atmosphere packaging conditions on changes in sensorial quality and retention of ...

Impact of extractables from rubber closures on protein stability under heat stress.

PubMed

Richter, Carolin; Lipperheide, Cornelia; Lipke, Uwe; Lamprecht, Alf

2018-06-09

Commercially available, uncoated elastomeric closures were examined in regard to a potential contribution of extracted compounds from the rubber stoppers to protein aggregation under worst-case conditions. All rubber stoppers were confirmed to comply with Ph. Eur. quality requirements. Extraction with 2-propanol under reflux-conditions for 3 h led to closure-specific extraction profiles of the tested samples. One type of rubber stopper exhibited a considerably greater number and higher content of extractables. Four extracted compounds were identified as trialkyl benzene-1, 2, 4-tricarboxylates (trivial name: trimellitates), a substance class which is increasingly established as an alternative to phthalates. A highly concentrated aqueous solution of total extractables from this rubber stopper facilitated the formation of soluble and non-soluble high-molecular aggregates when incubated with model biopharmaceuticals (recombinant human immunoglobulin G (IgG) and recombinant erythropoietin (EPO)) under stress conditions (IgG: 60-64°C for 130 min, EPO: 55°C for 8 days). Furthermore, it was shown that the surfactant concentration (polysorbate 20, 0.1 m/v % vs. 1.0 m/v %) decisively influenced the formation of high-molecular aggregates. In case of EPO, the 10 fold increased concentration of surfactant was sufficient to prevent the aggregate formation completely. This study suggests the necessity of revisiting the current test system of Ph. Eur. monograph 3.2.9 for appropriate rubber stopper quality evaluation. Copyright © 2018. Published by Elsevier B.V.

Dietary vitamin E dosage and source affects meat quality parameters in light weight lambs.

PubMed

Leal, Leonel N; Beltrán, José A; Alonso, Verónica; Bello, José M; den Hartog, Leo A; Hendriks, Wouter H; Martín-Tereso, Javier

2018-03-01

Supra-nutritional vitamin E supplementation is a commonly used approach to delay lipid oxidation and colour deterioration in lamb and beef meat marketed under modified atmosphere packaging. However, these applications lack a precise calibration of dose for the desired effect and, in addition, limited information is available regarding the use of natural vitamin E for this purpose. Three hundred and sixty Rasa Aragonesa lambs were fed diets supplemented with all-rac-α-tocopheryl acetate (250, 500, 1000 and 2000 mg kg -1 compound feed), RRR-α-tocopheryl acetate (125, 250, 500 and 1000 mg kg -1 compound feed) and a basal diet without vitamin E supplementation for 14 days before slaughter at 25.8 ± 1.67 kg body weight. Vitamin E supplementation had no effect (P > 0.05) on average daily weight gain, feed intake and feed efficiency. Display time had larger effects on lipid oxidation, colour stability, myoglobin forms and meat discolouration parameters compared to vitamin E supplementation. However, vitamin E source and dosage significantly extended meat shelf-life as indicated by lipid oxidation, redness, hue angle, metmyoglobin formation, deoxymyoglobin formation, A 580-630 and I SO2 . The quantification of these effects demonstrated that the biological activity value of 1.36 used to distinguish both vitamin E sources is not appropriate for meat quality enhancing properties. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

A Comprehensive Strategy to Evaluate Compatible Stability of Chinese Medicine Injection and Infusion Solutions Based on Chemical Analysis and Bioactivity Assay.

PubMed

Li, Jian-Ping; Liu, Yang; Guo, Jian-Ming; Shang, Er-Xin; Zhu, Zhen-Hua; Zhu, Kevin Y; Tang, Yu-Ping; Zhao, Bu-Chang; Tang, Zhi-Shu; Duan, Jin-Ao

2017-01-01

Stability of traditional Chinese medicine injection (TCMI) is an important issue related with its clinical application. TCMI is composed of multi-components, therefore, when evaluating TCMI stability, several marker compounds cannot represent global components or biological activities of TCMI. Till now, when evaluating TCMI stability, method involving the global components or biological activities has not been reported. In this paper, we established a comprehensive strategy composed of three different methods to evaluate the chemical and biological stability of a typical TCMI, Danhong injection (DHI). UHPLC-TQ/MS was used to analyze the stability of marker compounds (SaA, SaB, RA, DSS, PA, CA, and SG) in DHI, UHPLC-QTOF/MS was used to analyze the stability of global components (MW 80-1000 Da) in DHI, and cell based antioxidant capability assay was used to evaluate the bioactivity of DHI. We applied this strategy to assess the compatible stability of DHI and six infusion solutions (GS, NS, GNS, FI, XI, and DGI), which were commonly used in combination with DHI in clinic. GS was the best infusion solution for DHI, and DGI was the worst one based on marker compounds analysis. Based on global components analysis, XI and DGI were the worst infusion solutions for DHI. And based on bioactivity assay, GS was the best infusion solution for DHI, and XI was the worst one. In conclusion, as evaluated by the established comprehensive strategy, GS was the best infusion solution, however, XI and DGI were the worst infusion solutions for DHI. In the compatibility of DHI and XI or DGI, salvianolic acids in DHI would be degraded, resulting in the reduction of original composition and generation of new components, and leading to the changes of biological activities. This is the essence of instability compatibility of DHI and some infusion solutions. Our study provided references for choosing the reasonable infusion solutions for DHI, which could contribute the improvement of safety and efficacy of DHI. Moreover, the established strategy may be applied for the compatible stability evaluation of other TCMIs.

Correctors of the Major Cystic Fibrosis Mutant Interact through Membrane-Spanning Domains.

PubMed

Laselva, Onofrio; Molinski, Steven; Casavola, Valeria; Bear, Christine E

2018-06-01

The most common cystic fibrosis causing mutation is deletion of phenylalanine at position 508 (F508del), a mutation that leads to protein misassembly with defective processing. Small molecule corrector compounds: VX-809 or Corr-4a (C4) partially restores processing of the major mutant. These two prototypical corrector compounds cause an additive effect on F508del/cystic fibrosis transmembrane conductance regulator (CFTR) processing, and hence were proposed to act through distinct mechanisms: VX-809 stabilizing the first membrane-spanning domain (MSD) 1, and C4 acting on the second half of the molecule [consisting of MSD2 and/or nucleotide binding domain (NBD) 2]. We confirmed the effect of VX-809 in enhancing the stability of MSD1 and showed that it also allosterically modulates MSD2 when coexpressed with MSD1. We showed for the first time that C4 stabilizes the second half of the CFTR protein through its action on MSD2. Given the allosteric effect of VX-809 on MSD2, we were prompted to test the hypothesis that the two correctors interact in the full-length mutant protein. We did see evidence supporting their interaction in the full-length F508del-CFTR protein bearing secondary mutations targeting domain:domain interfaces. Disruption of the MSD1:F508del-NBD1 interaction (R170G) prevented correction by both compounds, pointing to the importance of this interface in processing. On the other hand, stabilization of the MSD2:F508del-NBD1 interface (by introducing R1070W) led to a synergistic effect of the compound combination on the total abundance of both the immature and mature forms of the protein. Together, these findings suggest that the two correctors interact in stabilizing the complex of MSDs in F508del-CFTR. Copyright © 2018 by The American Society for Pharmacology and Experimental Therapeutics.

Synthesis and evaluation of modified chalcone based p53 stabilizing agents.

PubMed

Iftikhar, Sunniya; Khan, Sardraz; Bilal, Aishah; Manzoor, Safia; Abdullah, Muhammad; Emwas, Abdel-Hamid; Sioud, Salim; Gao, Xin; Chotana, Ghayoor Abbas; Faisal, Amir; Saleem, Rahman Shah Zaib

2017-09-01

Tumor suppressor protein p53 induces cell cycle arrest and apoptotic cell death in response to various cellular stresses thereby preventing cancer development. Activation and stabilization of p53 through small organic molecules is, therefore, an attractive approach for the treatment of cancers retaining wild-type p53. In this context, a series of nineteen chalcones with various substitution patterns of functional groups including chloro, fluoro, methoxy, nitro, benzyloxy, 4-methyl benzyloxy was prepared using Claisen-Schmidt condensation. The compounds were characterized using NMR, HRMS, IR and melting points. Evaluation of synthesized compounds against human colorectal (HCT116) and breast (CAL-51) cancer cell lines revealed potent antiproliferative activities. Nine compounds displayed GI 50 values in the low micromolar to submicromolar range; for example (E)-1-phenyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (SSE14108) showed GI 50 of 0.473±0.043µM against HCT116 cells. Further analysis of these compounds revealed that (E)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one (SSE14105) and (E)-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one (SSE14106) caused rapid (4 and 8-h post-treatment) accumulation of p53 in HCT116 cells similar to its induction by positive control, Nutlin-3. Such activities were absent in 3-(4-methoxyphenyl)propiophenone (SSE14106H2) demonstrating the importance of conjugated ketone for antiproliferative and p53 stabilizing activity of the chalcones. We further evaluated p53 levels in the presence of cycloheximide (CHX) and the results showed that the p53 stabilization was regulated at post-translational level through blockage of its degradation. These chalcones can, therefore, act as fragment leads for further structure optimization to obtain more potent p53 stabilizing agents with enhanced anti-proliferative activities. Copyright © 2017 Elsevier Ltd. All rights reserved.

Spectroscopic investigations of novel pharmaceuticals: Stability and resonant interaction with laser beam

NASA Astrophysics Data System (ADS)

Smarandache, Adriana; Boni, Mihai; Andrei, Ionut Relu; Handzlik, Jadwiga; Kiec-Kononowicz, Katarzyna; Staicu, Angela; Pascu, Mihail-Lucian

2017-09-01

This paper presents data about photophysics of two novel thio-hydantoins that exhibit promising pharmaceutical properties in multidrug resistance control. Time stability studies are necessary to establish the proper use of these compounds in different applications. As for their administration as drugs, it is imperative to know their shelf life, as well as storage conditions. At the same time, laser induced modified properties of the two new compounds are valuable to further investigate their specific interactions with other materials, including biological targets. The two new thio-hydantoins under generic names SZ-2 and SZ-7 were prepared as solutions in dimethyl sulfoxide at different concentrations, as well as in deionised water. For the stability assay they were kept in various light/temperature conditions up to 60 days. The stability was estimates based on UV-vis absorption measurements. The samples in bulk shape were exposed different time intervals to laser radiation emitted at 266 nm as the fourth harmonic of a Nd:YAG laser. The resonant interaction of the studied compounds with laser beams was analysed through spectroscopic methods UV-vis and FTIR absorption, as well as laser induced fluorescence spectroscopy. As for stability assay, only solutions kept in dark at 4 °C have preserved the absorption characteristics, considering the cumulated measuring errors, less than one week. The vibrational changes that occur in their FTIR and modified fluorescence spectra upon laser beam exposure are also discussed. A result of the experimental analysis is that modifications are induced in molecular structures of the investigated compounds by resonant interaction with laser radiation. This fact evidences that the molecules are photoreactive and their characteristics might be shaped through controlled laser radiation exposure using appropriate protocols. This conclusion opens many opportunities both in the biomedical field, but also in other industrial activities involving the use of hydantoins.

Storage stability of sterilized liquid extracts from pomegranate peel

USDA-ARS?s Scientific Manuscript database

Pomegranate marc, a byproduct of commercial juice production, has shown promise as a starting material for the recovery of health promoting phenolic compounds. The stability of aqueous extracts prepared from pomegranate marc was evaluated in preparation to directly using these extracts as nutraceuti...

Analysis of wind-tunnel stability and control tests in terms of flying qualities of full-scale airplanes

NASA Technical Reports Server (NTRS)

Kayten, Gerald G

1945-01-01

The analysis of results of wind-tunnel stability and control tests of powered airplane models in terms of the flying qualities of full-scale airplanes is advocated. In order to indicated the topics upon which comments are considered desirable in the report of a wind-tunnel stability and control investigation and to demonstrate the nature of the suggested analysis, the present NACA flying-qualities requirements are discussed in relation to wind-tunnel tests. General procedures for the estimation of flying qualities from wind-tunnel tests are outlined.

Applying Factor Analysis Combined with Kriging and Information Entropy Theory for Mapping and Evaluating the Stability of Groundwater Quality Variation in Taiwan

PubMed Central

Shyu, Guey-Shin; Cheng, Bai-You; Chiang, Chi-Ting; Yao, Pei-Hsuan; Chang, Tsun-Kuo

2011-01-01

In Taiwan many factors, whether geological parent materials, human activities, and climate change, can affect the groundwater quality and its stability. This work combines factor analysis and kriging with information entropy theory to interpret the stability of groundwater quality variation in Taiwan between 2005 and 2007. Groundwater quality demonstrated apparent differences between the northern and southern areas of Taiwan when divided by the Wu River. Approximately 52% of the monitoring wells in southern Taiwan suffered from progressing seawater intrusion, causing unstable groundwater quality. Industrial and livestock wastewaters also polluted 59.6% of the monitoring wells, resulting in elevated EC and TOC concentrations in the groundwater. In northern Taiwan, domestic wastewaters polluted city groundwater, resulting in higher NH3-N concentration and groundwater quality instability was apparent among 10.3% of the monitoring wells. The method proposed in this study for analyzing groundwater quality inspects common stability factors, identifies potential areas influenced by common factors, and assists in elevating and reinforcing information in support of an overall groundwater management strategy. PMID:21695030

Detailed analysis of acidic compounds in Mayan gas oil and hydrotreated products

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

Sturm, G.P. Jr.; Green, J.B.; Grigsby, R.D.

1989-04-01

The present and future importance of heavy crude as a primary energy resource is widely recognized in spite of the current oversupply of crude oil. Along with coal and shale oil, heavy crudes and heavy ends of conventional crude produced by primary and enhanced oil recovery methods are considered important and dependable resources to meet their nation's long-term energy needs. Heavy crudes impose more severe requirements upon refining technology to produce end products meeting current specifications in terms of stability, compatibility, and corrosiveness. This study is based on the premise that knowledge of the problem components in the feedstocks, intermediatemore » process streams, and products can aid in the development of efficient and economical means of producing higher quality products.« less

High Dielectrics on High Carrier Mobility InGaAs Compound Semiconductors and GaN - Growth, Interfacial Structural Studies, and Surface Fermi Level Unpinning

DTIC Science & Technology

2010-02-19

UHV- deposited Al2O3(3nm)/ Ga2O3 (Gd2O3)(8.5nm) on n- and p-In0.2Ga0.8As/GaAs. The results exhibit very high-quality interface and free-moving Fermi...κ Ga2O3 (Gd2O3) [GGO] and Gd2O3 on InGaAs, without an interfacial layer. InxGa1−xAs MOSFETs have been successfully demonstrated with excellent device... Ga2O3 (Gd2O3)/In0.2Ga0.8As and high temperature (850°C) stability Scaling high κ oxides to nanometer range as well as unpinning surface Fermi level

Theoretical Investigation of Stabilizing Mechanism by Boron in Body-Centered Cubic Iron Through (Fe,Cr)23(C,B)6 Precipitates

NASA Astrophysics Data System (ADS)

Sahara, Ryoji; Matsunaga, Tetsuya; Hongo, Hiromichi; Tabuchi, Masaaki

2016-05-01

Small amounts of boron improve the mechanical properties in high-chromium ferritic heat-resistant steels. In this work, the stabilizing mechanism by boron in body-centered cubic iron (bcc Fe) through (Fe,Cr)23(C,B)6 precipitates was investigated by first-principles calculations. Formation energy analysis of (Fe,Cr)23(C,B)6 reveals that the compounds become more stable to elemental solids as the boron concentration increases. Furthermore, the interface energy of bcc Fe(110) || Fe23(C,B)6(111) also decreases with boron concentration in the compounds. The decreased interface energy caused by boron addition is explained by the balance between the change in the phase stability of the precipitates and the change in the misfit parameter for the bcc Fe matrix and the precipitates. These results show that boron stabilizes the microstructure of heat-resistant steels, which is important for understanding the origins of the creep strength in ferritic steels.

Efficient first-principles prediction of solid stability: Towards chemical accuracy

DOE PAGES

Zhang, Yubo; Kitchaev, Daniil A.; Yang, Julia; ...

2018-03-09

The question of material stability is of fundamental importance to any analysis of system properties in condensed matter physics and materials science. The ability to evaluate chemical stability, i.e., whether a stoichiometry will persist in some chemical environment, and structure selection, i.e. what crystal structure a stoichiometry will adopt, is critical to the prediction of materials synthesis, reactivity and properties. In this paper, we demonstrate that density functional theory, with the recently developed strongly constrained and appropriately normed (SCAN) functional, has advanced to a point where both facets of the stability problem can be reliably and efficiently predicted for mainmore » group compounds, while transition metal compounds are improved but remain a challenge. SCAN therefore offers a robust model for a significant portion of the periodic table, presenting an opportunity for the development of novel materials and the study of fine phase transformations even in largely unexplored systems with little to no experimental data.« less

Efficient first-principles prediction of solid stability: Towards chemical accuracy

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

Zhang, Yubo; Kitchaev, Daniil A.; Yang, Julia

The question of material stability is of fundamental importance to any analysis of system properties in condensed matter physics and materials science. The ability to evaluate chemical stability, i.e., whether a stoichiometry will persist in some chemical environment, and structure selection, i.e. what crystal structure a stoichiometry will adopt, is critical to the prediction of materials synthesis, reactivity and properties. In this paper, we demonstrate that density functional theory, with the recently developed strongly constrained and appropriately normed (SCAN) functional, has advanced to a point where both facets of the stability problem can be reliably and efficiently predicted for mainmore » group compounds, while transition metal compounds are improved but remain a challenge. SCAN therefore offers a robust model for a significant portion of the periodic table, presenting an opportunity for the development of novel materials and the study of fine phase transformations even in largely unexplored systems with little to no experimental data.« less

[Study on hydrothermal stability of the collagen].

PubMed

Wang, Yajuan; Chen, Hui; Shan, Zhihua

2009-02-01

The low hydrothermal stability of the raw collagen restricts its usage. To improve the hydrothermal stability of collagen, two kinds of materials with weak astringency were used by experts. The research proved that the synergistic effect was formed during the process. In this study, by using UV, FT-IR, 13CNMR spectra and elemental analysis on the salicylic acid and metal-salicylic complexes, we could get the structural formula of every compound. And then, the hide powder was treated with the compounds. At last, the treated hide powder was tested by DSC. It could be presumed that the Rigid Matrix formed between the collagen doses can increase the hydrothermal stability of raw collagen, The result indicated that salicylic-chrome with large stable constant was better than others in improving the heat resistance of raw collagen, and the denaturalization temperature of hide powder treated with salicylic-chrome was 146.7 degrees C. Salicylic-aluminum was in the second place, the relevant temperature being 145.7 degrees C.

Organic electronic devices using phthalimide compounds

DOEpatents

Hassan, Azad M.; Thompson, Mark E.

2010-09-07

Organic electronic devices comprising a phthalimide compound. The phthalimide compounds disclosed herein are electron transporters with large HOMO-LUMO gaps, high triplet energies, large reduction potentials, and/or thermal and chemical stability. As such, these phthalimide compounds are suitable for use in any of various organic electronic devices, such as OLEDs and solar cells. In an OLED, the phthalimide compounds may serve various functions, such as a host in the emissive layer, as a hole blocking material, or as an electron transport material. In a solar cell, the phthalimide compounds may serve various functions, such as an exciton blocking material. Various examples of phthalimide compounds which may be suitable for use in the present invention are disclosed.

Organic electronic devices using phthalimide compounds

DOEpatents

Hassan, Azad M.; Thompson, Mark E.

2012-10-23

Organic electronic devices comprising a phthalimide compound. The phthalimide compounds disclosed herein are electron transporters with large HOMO-LUMO gaps, high triplet energies, large reduction potentials, and/or thermal and chemical stability. As such, these phthalimide compounds are suitable for use in any of various organic electronic devices, such as OLEDs and solar cells. In an OLED, the phthalimide compounds may serve various functions, such as a host in the emissive layer, as a hole blocking material, or as an electron transport material. In a solar cell, the phthalimide compounds may serve various functions, such as an exciton blocking material. Various examples of phthalimide compounds which may be suitable for use in the present invention are disclosed.

Organic electronic devices using phthalimide compounds

DOEpatents

Hassan, Azad M.; Thompson, Mark E.

2013-03-19

Organic electronic devices comprising a phthalimide compound. The phthalimide compounds disclosed herein are electron transporters with large HOMO-LUMO gaps, high triplet energies, large reduction potentials, and/or thermal and chemical stability. As such, these phthalimide compounds are suitable for use in any of various organic electronic devices, such as OLEDs and solar cells. In an OLED, the phthalimide compounds may serve various functions, such as a host in the emissive layer, as a hole blocking material, or as an electron transport material. In a solar cell, the phthalimide compounds may serve various functions, such as an exciton blocking material. Various examples of phthalimide compounds which may be suitable for use in the present invention are disclosed.

CHALLENGES IN SLUDGE STABILIZATION: REGULATORY COMPLIANCE IN THE DESIGN AND OPERATION OF FACILITIES

EPA Science Inventory

Successful sewage sludge management involving the beneficial use of biosolids is predicated on acceptable quality of the product. Sludge quality can be defined in many ways. One of the most critical qualities affecting product marketability is sludge stability. While the terms &q...

Chemical bath deposition of II-VI compound thin films

NASA Astrophysics Data System (ADS)

Oladeji, Isaiah Olatunde

II-VI compounds are direct bandgap semiconductors with great potentials in optoelectronic applications. Solar cells, where these materials are in greater demand, require a low cost production technology that will make the final product more affordable. Chemical bath deposition (CBD) a low cost growth technique capable of producing good quality thin film semiconductors over large area and at low temperature then becomes a suitable technology of choice. Heterogeneous reaction in a basic aqueous solution that is responsible for the II-VI compound film growth in CBD requires a metal complex. We have identified the stability constant (k) of the metal complex compatible with CBD growth mechanism to be about 106.9. This value is low enough to ensure that the substrate adsorbed complex relax for subsequent reaction with the chalcogen precursor to take place. It is also high enough to minimize the metal ion concentration in the bath participating in the precipitation of the bulk compounds. Homogeneous reaction that leads to precipitation in the reaction bath takes place because the solubility products of bulk II-VI compounds are very low. This reaction quickly depletes the bath of reactants, limit the film thickness, and degrade the film quality. While ZnS thin films are still hard to grow by CBD because of lack of suitable complexing agent, the homogeneous reaction still limits quality and thickness of both US and ZnS thin films. In this study, the zinc tetraammine complex ([Zn(NH3) 4]2+) with k = 108.9 has been forced to acquire its unsaturated form [Zn(NH3)3]2+ with a moderate k = 106.6 using hydrazine and nitrilotriacetate ion as complementary complexing agents and we have successfully grown ZnS thin films. We have also, minimized or eliminated the homogeneous reaction by using ammonium salt as a buffer and chemical bath with low reactant concentrations. These have allowed us to increase the saturation thickness of ZnS thin film by about 400% and raise that of US film form 0.2 to 0.5 mum with improved quality. A novel chemical activated diffusion of Cd into ZnS thin film at temperature lower than 100°C is also developed. This in conjunction with thermal activated diffusion at 400°C has enabled us to synthesize Cd1-xZn xS thin films suitable for solar cells from CBD grown CdS/ZnS multilayer. The potential application of the new Cd1-xZnxS/CdS/CdTe solar cell structure is also demonstrated. The unoptimized structure grown on transparent conducting oxide coated soda lime glass of 3mm thickness with no antireflection coating yielded a 10% efficiency. This efficiency is the highest ever recorded in any Cd1-xZnxS film containing CdTe solar cells.

Effects of control laws and relaxed static stability on vertical ride quality of flexible aircraft

NASA Technical Reports Server (NTRS)

Roberts, P. A.; Swaim, R. L.; Schmidt, D. K.; Hinsdale, A. J.

1977-01-01

State variable techniques are utilized to generate the RMS vertical load factors for the B-52H and B-1 bombers at low level, mission critical, cruise conditions. A ride quality index is proposed to provide meaningful comparisons between different controls or conditions. Ride quality is shown to be relatively invariant under various popular control laws. Handling quality variations are shown to be major contributors to ride quality variations on both vehicles. Relaxed static stability is artificially implemented on the study vehicles to investigate its effects on ride quality. The B-52H ride quality is generally degraded when handling characteristics are automatically restored by a feedback control to the original values from relaxed stability conditions. The B-1 airplane shows little ride quality sensitivity to the same analysis due to the small rigid body contribution to load factors at the flight condition investigated.

Polymerizable 2(2-hydroxynaphthyl)2H-benzotriazole compounds

DOEpatents

Gomez, P.M.; Neidlinger, H.H.

1991-07-16

Benzotriazole compounds having the formula: ##STR1## wherein R.sub.1 is H, Cl, or OCH.sub.3 ; R.sub.2 is a hydroxynaphthyl group; and R.sub.3 is a vinyl unsaturated polymerizable group. Homopolymers or copolymers thereof are effective as UV light stabilizers and absorbers.

Polymerizable 2(2-hydroxynaphthyl)2H-benzotriazole compounds

DOEpatents

Gomez, Peter M.; Neidlinger, Hermann H.

1991-01-01

Benzotriazole compounds having the formula: ##STR1## wherein R.sub.1 is H, Cl, or OCH.sub.3 ; R.sub.2 is a hydroxynaphthyl group; and R.sub.3 is a vinyl unsaturated polymerizable group. Homopolymers or copolymers thereof are effective as UV light stabilizers and absorbers.

Applicability of refractometry for fast routine checking of hospital preparations.

PubMed

Hendrickx, Stijn; Verón, Aurora Monteagudo; Van Schepdael, Ann; Adams, Erwin

2016-04-30

Quality control of hospital pharmacy formulations is of the utmost importance to ensure constant quality and to avoid potential mistakes before administration to the patient. In this study we investigated the applicability of refractometry as a fast, inexpensive and easy-to-use quality control measurement. Refractive indices (RI) of a multitude of different hospital formulations with varying concentrations of active compound were measured. The samples consisted of a number of binary aqueous solutions (one compound in water), complex aqueous solutions (multiple compounds in water or in a constant matrix), two suspensions and one emulsion. For all these formulations, linear regression analysis was performed, quality control limits determined and accuracy and repeatability were checked. Subsequently, actual hospital pharmacy samples were analyzed to check whether they were within the specified limits. For both binary and complex aqueous formulations, repeatability was good and a linear correlation for all samples could be observed on condition that the concentration of the active compound was sufficiently high. The refractometer was not sensitive enough for solutions of folic acid and levothyroxine, which had too low a concentration of active compound. Due to lack of homogeneity and light scattering, emulsions and suspensions do not seem suitable for quality control by refractometry. A mathematical equation was generated to predict the refractive index of an aqueous solution containing clonidine HCl as active compound. Values calculated from the equation were compared with measured values and deviations of all samples were found to be lower than 1.3%. In order to use refractometry in a hospital pharmacy for quality control of multicomponent samples, additional intermediate measurements would be required, to overcome the fact that refractometry is not compound specific. In conclusion, we found that refractometry could potentially be useful for daily, fast quality measurements of relatively concentrated binary and more complex aqueous solutions in the hospital pharmacy. Copyright © 2016 Elsevier B.V. All rights reserved.

Novel human D-amino acid oxidase inhibitors stabilize an active-site lid-open conformation

PubMed Central

Terry-Lorenzo, Ryan T.; Chun, Lawrence E.; Brown, Scott P.; Heffernan, Michele L. R.; Fang, Q. Kevin; Orsini, Michael A.; Pollegioni, Loredano; Hardy, Larry W.; Spear, Kerry L.; Large, Thomas H.

2014-01-01

The NMDAR (N-methyl-D-aspartate receptor) is a central regulator of synaptic plasticity and learning and memory. hDAAO (human D-amino acid oxidase) indirectly reduces NMDAR activity by degrading the NMDAR co-agonist D-serine. Since NMDAR hypofunction is thought to be a foundational defect in schizophrenia, hDAAO inhibitors have potential as treatments for schizophrenia and other nervous system disorders. Here, we sought to identify novel chemicals that inhibit hDAAO activity. We used computational tools to design a focused, purchasable library of compounds. After screening this library for hDAAO inhibition, we identified the structurally novel compound, ‘compound 2’ [3-(7-hydroxy-2-oxo-4-phenyl-2H-chromen-6-yl)propanoic acid], which displayed low nM hDAAO inhibitory potency (Ki=7 nM). Although the library was expected to enrich for compounds that were competitive for both D-serine and FAD, compound 2 actually was FAD uncompetitive, much like canonical hDAAO inhibitors such as benzoic acid. Compound 2 and an analog were independently co-crystalized with hDAAO. These compounds stabilized a novel conformation of hDAAO in which the active-site lid was in an open position. These results confirm previous hypotheses regarding active-site lid flexibility of mammalian D-amino acid oxidases and could assist in the design of the next generation of hDAAO inhibitors. PMID:25001371

Recent trends in the development of nanophytobioactive compounds and delivery systems for their possible role in reducing oxidative stress in Parkinson's disease models.

PubMed

Ganesan, Palanivel; Ko, Hyun-Myung; Kim, In-Su; Choi, Dong-Kug

2015-01-01

Oxidative stress plays a very critical role in neurodegenerative diseases, such as Parkinson's disease (PD), which is the second most common neurodegenerative disease among elderly people worldwide. Increasing evidence has suggested that phytobioactive compounds show enhanced benefits in cell and animal models of PD. Curcumin, resveratrol, ginsenosides, quercetin, and catechin are phyto-derived bioactive compounds with important roles in the prevention and treatment of PD. However, in vivo studies suggest that their concentrations are very low to cross blood-brain barrier thereby it limits bioavailability, stability, and dissolution at target sites in the brain. To overcome these problems, nanophytomedicine with the controlled size of 1-100 nm is used to maximize efficiency in the treatment of PD. Nanosizing of phytobioactive compounds enhances the permeability into the brain with maximized efficiency and stability. Several nanodelivery techniques, including solid lipid nanoparticles, nanostructured lipid carriers, nanoliposomes, and nanoniosomes can be used for controlled delivery of nanobioactive compounds to brain. Nanocompounds, such as ginsenosides (19.9 nm) synthesized using a nanoemulsion technique, showed enhanced bioavailability in the rat brain. Here, we discuss the most recent trends and applications in PD, including 1) the role of phytobioactive compounds in reducing oxidative stress and their bioavailability; 2) the role of nanotechnology in reducing oxidative stress during PD; 3) nanodelivery systems; and 4) various nanophytobioactive compounds and their role in PD.

Total phenolic compounds and tocopherols profiles of seven olive oil varieties grown in the south-west of Spain.

PubMed

Franco, Maria Nieves; Galeano-Díaz, Teresa; Sánchez, Jacinto; De Miguel, Concha; Martín-Vertedor, Daniel

2014-01-01

This article reports about the presence of some of the components of minor fraction of virgin olive oils, polyphenols and tocopherols, in several of the VOO varieties from Extremadura. The relationship between both classes of compounds and the oxidative stability of the oils is also examined. The levels of total phenols, α, β, and γ tocopherols showed significant differences (p<0.05) among the different varieties. The concentration of total phenolic compounds varied from 130 to 1203 mg/kg. The α-tocopherol was the most representative in the seven varieties (95.97 %) and ranged from (288 - 170) to (485 - 244) mg/kg in the Morisca and Carrasqueña varieties respectively. On the other hand, a positive high lineal correlation was observed between oxidative stability and studied along the maturity of the fruit and the total phenolic compounds (natural antioxidants) (r(2)>0.90; p<0.05), α-tocopherol (r(2)>0.85; p<0.05), β-tocopherol (r(2)>0.70; p<0.05) and total-tocopherols (r(2)>0.87; p<0.05), in all the olive oils obtained from the seven varieties of olive from Extremadura. It is noticeable that α-tocopherol fraction contributed equally to the oxidative stability of all the VOO whereas the largest contribution was provided by the oil phenolic fraction, as it was the case of the Carrasqueña variety.

Synergetic Use of Principal Component Analysis Applied to Normed Physicochemical Measurements and GC × GC-MS to Reveal the Stabilization Effect of Selected Essential Oils on Heated Rapeseed Oil.

PubMed

Sghaier, Lilia; Cordella, Christophe B Y; Rutledge, Douglas N; Lefèvre, Fanny; Watiez, Mickaël; Breton, Sylvie; Sassiat, Patrick; Thiebaut, Didier; Vial, Jérôme

2017-06-01

Lipid oxidation leads to the formation of volatile compounds and very often to off-flavors. In the case of the heating of rapeseed oil, unpleasant odors, characterized as a fishy odor, are emitted. In this study, 2 different essential oils (coriander and nutmeg essential oils) were added to refined rapeseed oil as odor masking agents. The aim of this work was to determine a potential antioxidant effect of these essential oils on the thermal stability of rapeseed oil subject to heating cycles between room temperature and 180 °C. For this purpose, normed determinations of different parameters (peroxide value, anisidine value, and the content of total polar compounds, free fatty acids and tocopherols) were carried out to examine the differences between pure and degraded oil. No significant difference was observed between pure rapeseed oil and rapeseed oil with essential oils for each parameter separately. However, a stabilizing effect of the essential oils, with a higher effect for the nutmeg essential oil was highlighted by principal component analysis applied on physicochemical dataset. Moreover, the analysis of the volatile compounds performed by GC × GC showed a substantial loss of the volatile compounds of the essential oils from the first heating cycle. © 2017 Institute of Food Technologists®.

Diazo Compounds: Versatile Tools for Chemical Biology.

PubMed

Mix, Kalie A; Aronoff, Matthew R; Raines, Ronald T

2016-12-16

Diazo groups have broad and tunable reactivity. That and other attributes endow diazo compounds with the potential to be valuable reagents for chemical biologists. The presence of diazo groups in natural products underscores their metabolic stability and anticipates their utility in a biological context. The chemoselectivity of diazo groups, even in the presence of azido groups, presents many opportunities. Already, diazo compounds have served as chemical probes and elicited novel modifications of proteins and nucleic acids. Here, we review advances that have facilitated the chemical synthesis of diazo compounds, and we highlight applications of diazo compounds in the detection and modification of biomolecules.

Studies on in vitro biostability and blood compatibility of polyurethane potting compound based on aromatic polymeric MDI for extracorporeal devices.

PubMed

Hridya, V K; Jayabalan, M

2009-12-01

Polyurethane potting compound based on aromatic isocyanurate of polymeric MDI, poly propylene glycol (PPG400) and trimethylol propane (TMP) has significant favourable properties, good pot life and setting characteristics. The cured potting compound of this formulation has appreciable thermal stability and mechanical properties. In vitro biostability of cured potting compound has been found to be excellent without any significant degradation in simulated physiological media and chemical environment. Studies on blood-material interaction and cytotoxicity reveal in vitro blood compatibility and compatibility with cells of this potting compound.

Inter-laboratory comparison of elemental analysis and gas chromatography combustion isotope ratio mass spectrometry (GC-C-IRMS). Part I: delta13C measurements of selected compounds for the development of an isotopic Grob-test.

PubMed

Serra, F; Janeiro, A; Calderone, G; Rojas, J M Moreno; Rhodes, C; Gonthier, L A; Martin, F; Lees, M; Mosandl, A; Sewenig, S; Hener, U; Henriques, B; Ramalho, L; Reniero, F; Teixeira, A J; Guillou, C

2007-03-01

This study was directed towards investigating suitable compounds to be used as stable isotope reference materials for gas chromatography combustion isotope ratio mass spectrometry (GC-C-IRMS) calibration. Several compounds were selected from those used in the 'Grob-test' mixture. Oxygen- and nitrogen-containing substances were added to these compounds to allow the mixture to be used as a possible multi-isotopic calibration tool for 2H/1H, 13C/12C, 15N/14N and 18O/16O ratio determinations. In this paper we present the results of delta13C measurements performed by the consortium of the five laboratories taking part in this inter-calibration exercise. All the compounds were individually assessed for homogeneity, short-term stability and long-term stability by means of EA-IRMS, as required by the bureau communitaire de reference (BCR) Guide for Production of Certified Reference Materials. The results were compared then with the GC-C-IRMS measurements using both polar and non-polar columns, and the final mixture of selected compounds underwent a further certification exercise assessing limits of accuracy and reproducibility under specified GC-C-IRMS conditions. Copyright 2007 John Wiley & Sons, Ltd.

Computational and in vitro insights on snake venom phospholipase A2 inhibitor of phytocompound ikshusterol3-O-glucoside of Clematis gouriana Roxb. ex DC.

PubMed

Muthusamy, Karthikeyan; Chinnasamy, Sathishkumar; Nagarajan, Subbiah; Sivaraman, Thirunavukkarasu

2017-12-14

Ikshusterol3-O-glucoside was isolated from Clematis gouriana Roxb. ex DC. root. A structure of the isolated compound was determined on the basis of various spectroscopic interpretations (UV, NMR, FTIR, and GC-MS-EI). This structure was submitted in the PubChem compound database (SID 249494133). SID 249494133 was carried out by density functional theory calculation to observe the chemical stability and electrostatic potential of this compound. The absorption, distribution, metabolism, and excretion property of this compound was predicted to evaluate the drug likeness and toxicity. In addition, molecular docking, quantum polarized ligand docking, prime MMGBSA calculation, and induced fit docking were performed to predict the binding status of SID 249494133 with the active site of phospholipase A 2 (PLA 2 ) (PDB ID: 1A3D). The stability of the compound in the active site of PLA 2 was carried out using molecular dynamics simulation. Further, the anti-venom activity of the compound was assessed using the PLA 2 assay against Naja naja (Indian cobra) crude venom. The results strongly show that Ikshusterol3-O-glucoside has a potent snake-venom neutralizing capacity and it might be a potential molecule for the therapeutic treatment for snakebites.

Acoustic Sample Deposition MALDI-MS (ASD-MALDI-MS): A Novel Process Flow for Quality Control Screening of Compound Libraries.

PubMed

Chin, Jefferson; Wood, Elizabeth; Peters, Grace S; Drexler, Dieter M

2016-02-01

In the early stages of drug discovery, high-throughput screening (HTS) of compound libraries against pharmaceutical targets is a common method to identify potential lead molecules. For these HTS campaigns to be efficient and successful, continuous quality control of the compound collection is necessary and crucial. However, the large number of compound samples and the limited sample amount pose unique challenges. Presented here is a proof-of-concept study for a novel process flow for the quality control screening of small-molecule compound libraries that consumes only minimal amounts of samples and affords compound-specific molecular data. This process employs an acoustic sample deposition (ASD) technique for the offline sample preparation by depositing nanoliter volumes in an array format onto microscope glass slides followed by matrix-assisted laser desorption/ionization mass spectrometric (MALDI-MS) analysis. An initial study of a 384-compound array employing the ASD-MALDI-MS workflow resulted in a 75% first-pass positive identification rate with an analysis time of <1 s per sample. © 2015 Society for Laboratory Automation and Screening.

Stability of coordination compounds of Ni2+ and Co2+ ions with succinic acid anion in water-ethanol solvents

NASA Astrophysics Data System (ADS)

Tukumova, N. V.; Dieu Thuan, Tran Thi; Usacheva, T. R.; Koryshev, N. E.; Sharnin, V. A.

2017-04-01

Stability constants of the coordination compounds of nickel(II) and cobalt(II) ions with succinic acid anion in water-ethanol solvents are determined via potentiometric titration at ionic strength of 0.1 and at T = 298.15 K. It is found that logβ values of monoligand complexes of these ions and succinic acid anions rise along with the content of ethanol in solution ( X EtOH = 0-0.7 mole fractions). Based on an analysis of the thermodynamic characteristics of the solvation of the reagents involved in complex formation, it is found that the increased stability of succinate complexes of nickel(II) and cobalt(II) ions in water-ethanol solvents is mainly determined by the weakening of the solvation of succinic acid anion (Y2-).

Superfund Innovative Technology Evaluation - Demonstration Bulletin: In-Situ Soil Stabilization

EPA Science Inventory

In-situ stabilization technology immobilizes organics and inorganic compounds in wet or dry soils by using reagents (additives) to polymerize with the soils and sludges producing a cement-like mass. Two basic components of this technology are the Geo-Con/DSM Deep Soil Mixing Sy...

Stability of Alprazolam, Atropine Sulfate, Glutamine, Levofloxacin, Metoprolol Tartrate, Nitrofurantoin, Ondansetron Hydrochloride, Oxandrolone, Pregabaline, and Riboflavin in SyrSpend SF pH4 Oral Suspensions.

PubMed

Ferreira, Anderson O; Polonini, Hudson C; Loures da Silva, Sharlene; Cerqueira de Melo, Victor Augusto; de Andrade, Laura; Brandão, Marcos Antônio Fernandes

2017-01-01

The objective of this study was to evaluate the stability of 10 commonly used active pharmaceutical ingredients compounded in oral suspensions using an internationally used suspending vehicle (SyrSpend SF PH4): alprazolam 1.0 mg/mL, atropine sulfate 0.1 mg/mL, glutamine 250.0 mg/mL, levofloxacin 50.0 mg/mL, metoprolol tartrate 10.0 mg/mL, nitrofurantoin 2.0 mg/mL, ondansetron hydrochloride 0.8 mg/mL, oxandrolone 3.0 mg/mL, pregabaline 20.0 mg/mL, riboflavin 10.0 mg/mL. All suspensions were stored at both controlled refrigeration (2°C to 8°C) and controlled room temperature (20°C to 25°C). Stability was assessed by measuring the percent recovery at varying time points throughout a 90-day period. Active pharmaceutical ingredients quantification was performed by high-performance liquid chromatography via a stability-indicating method. Given the percentage of recovery of the active pharmaceutical ingredients within the suspensions, the beyond-use date of the final products (active pharmaceutical ingredients + vehicle) was at least 90 days for all suspensions with regard to both temperatures. This suggests that the vehicle is stable for compounding active pharmaceutical ingredients from different pharmacological classes. Copyright© by International Journal of Pharmaceutical Compounding, Inc.

Density-functional theory computer simulations of CZTS{sub 0.25}Se{sub 0.75} alloy phase diagrams

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

Chagarov, E.; Sardashti, K.; Kummel, A. C.

2016-08-14

Density-functional theory simulations of CZTS, CZTSe, and CZTS{sub 0.25}Se{sub 0.75} photovoltaic compounds have been performed to investigate the stability of the CZTS{sub 0.25}Se{sub 0.75} alloy vs. decomposition into CZTS, CZTSe, and other secondary compounds. The Gibbs energy for vibrational contributions was estimated by calculating phonon spectra and thermodynamic properties at finite temperatures. It was demonstrated that the CZTS{sub 0.25}Se{sub 0.75} alloy is stabilized not by enthalpy of formation but primarily by the mixing contributions to the Gibbs energy. The Gibbs energy gains/losses for several decomposition reactions were calculated as a function of temperature with/without intermixing and vibration contributions to themore » Gibbs energy. A set of phase diagrams was built in the multidimensional space of chemical potentials at 300 K and 900 K temperatures to demonstrate alloy stability and boundary compounds at various chemical conditions. It demonstrated for CZTS{sub 0.25}Se{sub 0.75} that the chemical potentials for stability differ between typical processing temperature (∼900 K) and operating temperature (300 K). This implies that as cooling progresses, the flux/concentration of S should be increased in MBE growth to maintain the CZTS{sub 0.25}Se{sub 0.75} in a thermodynamically stable state to minimize phase decomposition.« less

Overview of environmental investigations and remediations of leaks and spills in oil and gas fields

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

Jacobs, J.A.; Jacobs, O.T.; Traver, R.

Historic and current leaks and spills in oil and gas fields can involve a variety of hazardous compounds, can be located virtually anywhere on site, and may significantly degrade soils and groundwater quality. Environmental evaluation of historic and current leaks and spills in oil and gas fields occurs in the investigative stage, characterized by a site assessment and field evaluation. The site assessment includes a site survey, aerial photo interpretation, review of regulatory agency records, operators' records, previous work by consultants, and interviews with knowledgeable persons. The field evaluation, designed to examine the lateral and vertical extent of the spillmore » or leak, could include a soil gas survey, cone penetrometer, trenching, and drilling. Using these techniques, collected soil or groundwater samples can be analyzed in a laboratory to differentiate the various hazardous compounds on-site. Once an environmental investigation has been performed to define the vertical and lateral extent of a spill and the potential pathways that the hazardous compound will move to expose a given population, then remediation options can be designed. Remedial programs for hazardous compounds commonly found in oil and gas fields include the following in-situ technologies: volatilization, biodegradation, leaching and chemical reaction, vitrification, passive remediation, and isolation/containment. Non-in-situ technologies include land farming, incineration, asphalt incorporation, solidification/stabilization, groundwater extraction and treatment, chemical extraction, and excavation and offsite disposal. Factors affecting remedial measures are cost of technology, time available to finish remediation, technical feasibility, regulatory acceptance, and accessibility and availability of space in the remediation area.« less

Synthesis, crystal structure and growth of a new inorganic- organic hybrid compound for nonlinear optical applications: Aquadiiodo (3-aminopropanoic acid) cadmium (II)

NASA Astrophysics Data System (ADS)

Boopathi, K.; Babu, S. Moorthy; Jagan, R.; Ramasamy, P.

2017-12-01

The new inorganic-organic hybrid material aquadiiodo (3-aminopropanoic acid) cadmium (II) [ADI (3-AP) Cd] has been successfully synthesized and good quality crystals have been grown by slow evaporation solution technique. The structure was determined by single crystal X-ray diffraction at room temperature. The compound crystallizes in monoclinic crystal system with centro symmetric space group P21/c and four molecules in the unit cell. The structure of the title compound was further confirmed by 1H and 13C nuclear magnetic resonance spectral analysis. FT-IR spectroscopy was used to confirm the presence of various functional groups in the compound. The transmittance and optical parameters of the crystal were studied by UV- Visible-NIR spectroscopy. The thermal stability of the grown crystal was evaluated using thermogravimetric and differential thermal analyses. Mechanical hardness has been identified by Vickers micro hardness study and work hardening coefficient was calculated. Dielectric measurement was carried out as a function of frequency and results are discussed. The growth mechanism of the crystal was assessed by chemical etching studies. The third-order nonlinear optical susceptibility of [ADI (3-AP) Cd] was derived using the Z-scan technique, and it was 3.24955 × 10-8 esu. The positive nonlinear refractive index 2.48505 × 10-11 m2/W, is an indication of self-defocusing optical nonlinearity of the sample. It is believed that the [ADI (3-AP) Cd] is a promising new candidate for developing efficient nonlinear optical and optical power limiting devices.

Comparative thermal and thermodynamic study of DNA chemically modified with antitumor drug cisplatin and its inactive analog transplatin.

PubMed

Lando, Dmitri Y; Chang, Chun-Ling; Fridman, Alexander S; Grigoryan, Inessa E; Galyuk, Elena N; Hsueh, Ya-Wei; Hu, Chin-Kun

2014-08-01

Antitumor activity of cisplatin is exerted by covalent binding to DNA. For comparison, studies of cisplatin-DNA complexes often employ the very similar but inactive transplatin. In this work, thermal and thermodynamic properties of DNA complexes with these compounds were studied using differential scanning calorimetry (DSC) and computer modeling. DSC demonstrates that cisplatin decreases thermal stability (melting temperature, Tm) of long DNA, and transplatin increases it. At the same time, both compounds decrease the enthalpy and entropy of the helix-coil transition, and the impact of transplatin is much higher. From Pt/nucleotide molar ratio rb=0.001, both compounds destroy the fine structure of DSC profile and increase the temperature melting range (ΔT). For cisplatin and transplatin, the dependences δTm vs rb differ in sign, while δΔT vs rb are positive for both compounds. The change in the parameter δΔT vs rb demonstrates the GC specificity in the location of DNA distortions. Our experimental results and calculations show that 1) in contrast to [Pt(dien)Cl]Cl, monofunctional adducts formed by transplatin decrease the thermal stability of long DNA at [Na(+)]>30mM; 2) interstrand crosslinks of cisplatin and transplatin only slightly increase Tm; 3) the difference in thermal stability of DNA complexes with cisplatin vs DNA complexes with transplatin mainly arises from the different thermodynamic properties of their intrastrand crosslinks. This type of crosslink appears to be responsible for the antitumor activity of cisplatin. At any [Na(+)] from interval 10-210mM, cisplatin and transplatin intrastrand crosslinks give rise to destabilization and stabilization, respectively. Copyright © 2014 Elsevier Inc. All rights reserved.

Sodium deoxycholate-decorated zein nanoparticles for a stable colloidal drug delivery system

PubMed Central

Gagliardi, Agnese; Paolino, Donatella; Iannone, Michelangelo; Palma, Ernesto

2018-01-01

Background The use of biopolymers is increasing in drug delivery, thanks to the peculiar properties of these compounds such as their biodegradability, availability, and the possibility of modulating their physico-chemical characteristics. In particular, protein-based systems such as albumin are able to interact with many active compounds, modulating their biopharmaceutical properties. Zein is a protein of 20–40 kDa made up of many hydrophobic amino acids, generally regarded as safe (GRAS) and used as a coating material. Methods In this investigation, zein was combined with various surfactants in order to obtain stable nanosystems by means of the nanoprecipitation technique. Specific parameters, eg, temperature, pH value, Turbiscan Stability Index, serum stability, in vitro cytotoxicity and entrapment efficiency of various model compounds were investigated, in order to identify the nanoformulation most useful for a systemic drug delivery application. Results The use of non-ionic and ionic surfactants such as Tween 80, poloxamer 188, and sodium deoxycholate allowed us to obtain nanoparticles characterized by a mean diameter of 100–200 nm when a protein concentration of 2 mg/mL was used. The surface charge was modulated by means of the protein concentration and the nature of the stabilizer. The most suitable nanoparticle formulation to be proposed as a colloidal drug delivery system was obtained using sodium deoxycholate (1.25% w/v) because it was characterized by a narrow size distribution, a good storage stability after freeze-drying and significant feature of retaining lipophilic and hydrophilic compounds. Conclusion The sodium deoxycholate-coated zein nanoparticles are stable biocompatible colloidal carriers to be used as useful drug delivery systems. PMID:29430179

Complexation of phytochemicals with cyclodextrin derivatives - An insight.

PubMed

Suvarna, Vasanti; Gujar, Parul; Murahari, Manikanta

2017-04-01

Natural compounds have been attracting huge attention because of their broad therapeutic properties with specificity in their action in human health care as functional foods, pharmaceuticals and nutraceuticals. However poor bioavailability and reduced bioactivity attributed to poor solubility and instability is the major drawback hindering the incorporation of these therapeutically potential molecules in novel drug delivery systems. Based on the findings of reported research investigations; complexation of poorly water soluble phytochemicals with cyclodextrins has emerged to be a promising approach to improve their aqueous solubility, stability, rate of dissolution and bioavailability. The present article summarizes the encapsulation of natural compounds ranging from various flavonoids, phenolic derivatives, coumestans to triterpenes, with cyclodextrin and their derivatives. Also the article highlights the method of complexation, complexation ability, drug solubility, stability, bioavailability and safety aspects of reported natural compounds. Additionally we present the glimpses of patents published in recent 10-15 years to highlight the significance of inclusion of phytochemicals in cyclodextrins. In patents narrated, improvement in stability and solubility of curcumin by complexation with alkyl ether derivative of gamma-cyclodextrin is claimed. Another patent mentioned, complexation of artemisinins with β-cyclodextrin, improved the stability and integrity of peroxide part of artemisinins for long period. On the other hand the complex of dihydromyricetin with γ-CD has shown improved solubility, stability and bioavailability. Thus it can be concluded that phytochemicals have multiple biological activities with broader safety index and improvement of their solubility will be truly beneficial to aid their effective delivery in healthcare. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

Design and stability study of an oral solution of amlodipine besylate for pediatric patients.

PubMed

van der Vossen, A C; van der Velde, I; Smeets, O S N M; Postma, D J; Vermes, A; Koch, B C P; Vulto, A G; Hanff, L M

2016-09-20

Amlodipine is an antihypertensive agent recommended for the management of hypertension in children and adolescents. The commercially available tablets of 5 and 10mg do not provide the necessary flexibility in dosing needed for treating children. Our goal was to develop a pediatric oral solution of amlodipine, using a robust manufacturing process suitable for ex-tempora and larger scale production. The parameters API and preservative content, related substances, appearance and pH were studied under four different storage conditions. Samples were analyzed up to 12months. Microbiological quality was studied in an 18-week in-use test based on a two-times daily dosing schedule. The stability of the formulation was influenced by storage conditions and composition. A formulation containing amlodipine besylate, sucrose syrup and methyl paraben remained physically stable for 12months at 4°C with no loss of amlodipine content. Related substances increased during the study but remained below 0.5%. In-use stability was proven up to 18weeks. Storage under refrigerated conditions was necessary to prevent precipitation and to obtain an acceptable shelf-life. In conclusion, we have developed and validated an amlodipine oral solution, suitable for the pediatric population. This liquid formulation is preferred over manipulated commercial dosage forms or non-standardized extemporaneously compounded formulations. Copyright © 2016 Elsevier B.V. All rights reserved.

Longitudinal data analysis in support of functional stability concepts for leachate management at closed municipal landfills.

PubMed

Gibbons, Robert D; Morris, Jeremy W F; Prucha, Christopher P; Caldwell, Michael D; Staley, Bryan F

2014-09-01

Landfill functional stability provides a target that supports no environmental threat at the relevant point of exposure in the absence of active control systems. With respect to leachate management, this study investigates "gateway" indicators for functional stability in terms of the predictability of leachate characteristics, and thus potential threat to water quality posed by leachate emissions. Historical studies conducted on changes in municipal solid waste (MSW) leachate concentrations over time (longitudinal analysis) have concentrated on indicator compounds, primarily chemical oxygen demand (COD) and biochemical oxygen demand (BOD). However, validation of these studies using an expanded database and larger constituent sets has not been performed. This study evaluated leachate data using a mixed-effects regression model to determine the extent to which leachate constituent degradation can be predicted based on waste age or operational practices. The final dataset analyzed consisted of a total of 1402 samples from 101 MSW landfills. Results from the study indicated that all leachate constituents exhibit a decreasing trend with time in the post-closure period, with 16 of the 25 target analytes and aggregate classes exhibiting a statistically significant trend consistent with well-studied indicators such as BOD. Decreasing trends in BOD concentration after landfill closure can thus be considered representative of trends for many leachate constituents of concern. Copyright © 2014 Elsevier Ltd. All rights reserved.

Full-frame video stabilization with motion inpainting.

PubMed

Matsushita, Yasuyuki; Ofek, Eyal; Ge, Weina; Tang, Xiaoou; Shum, Heung-Yeung

2006-07-01

Video stabilization is an important video enhancement technology which aims at removing annoying shaky motion from videos. We propose a practical and robust approach of video stabilization that produces full-frame stabilized videos with good visual quality. While most previous methods end up with producing smaller size stabilized videos, our completion method can produce full-frame videos by naturally filling in missing image parts by locally aligning image data of neighboring frames. To achieve this, motion inpainting is proposed to enforce spatial and temporal consistency of the completion in both static and dynamic image areas. In addition, image quality in the stabilized video is enhanced with a new practical deblurring algorithm. Instead of estimating point spread functions, our method transfers and interpolates sharper image pixels of neighboring frames to increase the sharpness of the frame. The proposed video completion and deblurring methods enabled us to develop a complete video stabilizer which can naturally keep the original image quality in the stabilized videos. The effectiveness of our method is confirmed by extensive experiments over a wide variety of videos.

Methyl 3-amino-4-butanamido-5-methyl­benzoate

PubMed Central

Li, Xiang; Yuan, Lian-shan; Wang, Dan; Yao, Cheng

2008-01-01

The title compound, C13H18N2O3, is an inter­mediate in the synthesis of compounds with medicinial applications. The crystal structure is stabilized by inter­molecular N—H⋯O, C—H⋯N and C—H⋯O hydrogen bonds. PMID:21202582

Ternary rare earth-lanthanide sulfides

DOEpatents

Takeshita, Takuo; Gschneidner JR., Karl A.; Beaudry, Bernard J.

1987-01-06

A new ternary rare earth sulfur compound having the formula: where M is a rare earth element selected from the group europium, samarium and ytterbium and x=0.15 to 0.8. The compound has good high-temperature thermoelectric properties and exhibits long-term structural stability up to 1000.degree. C.

Mercury contamination extraction

DOEpatents

Fuhrmann, Mark [Silver Spring, MD; Heiser, John [Bayport, NY; Kalb, Paul [Wading River, NY

2009-09-15

Mercury is removed from contaminated waste by firstly applying a sulfur reagent to the waste. Mercury in the waste is then permitted to migrate to the reagent and is stabilized in a mercury sulfide compound. The stable compound may then be removed from the waste which itself remains in situ following mercury removal therefrom.

Radioiodinated glucose analogues for use as imaging agents

DOEpatents

Goodman, Mark M.; Knapp, Jr., Furn F.

1988-01-01

A radioiodinated branched carbohydrate for tissue imaging. Iodine-123 is stabilized in the compound by attaching it to a vinyl functional group that is on the carbohydrate. The compound exhibits good uptake and retention and is promising in the development of radiopharmaceuticals for brain, heart and tumor imaging.

Effects of salinity and nitrogen supply on the quality and health-related compounds of strawberry fruits (Fragaria × ananassa cv. Primoris).

PubMed

Cardeñosa, Vanessa; Medrano, Evangelina; Lorenzo, Pilar; Sánchez-Guerrero, Maria Cruz; Cuevas, Francisco; Pradas, Inmaculada; Moreno-Rojas, José M

2015-11-01

Different nitrogen inputs and/or development under adverse water conditions (water stress/low quality and/or high salinity/electrical conductivity), such as those prevailing in Almeria (Mediterranean coast, south-east Spain), may affect overall fruit and vegetable quality. This study evaluated the influence of salinity and nitrogen reduction in hydroponic nutrient solution on strawberry fruit quality and nutritional compounds (Fragaria × ananassa Duch., cv. Primoris). Strawberries obtained under salinity treatments recorded the highest values for soluble solids content (SSC; all samplings); fruit taste was thus enhanced. Additionally, salinity improved fruit nutritional value, with higher contents of antioxidants compounds (first sampling). During first and second samplings, strawberries grown under N reduction and non-saline conditions showed higher values for firmness compared to fruits developed under other treatments. Regarding health-related compounds, few differences were found except for total polyphenols concentration and antioxidant activity for the first sampling, where strawberries grown under saline treatments obtained the highest values for both parameters. The use of low-quality waters, such as those found in Almeria (salinity, N9S and N5S) and low nitrogen inputs (N5, avoid environmental impact) for strawberry cultivation does not exert a negative impact on overall quality. Positive differences could be found in SSC, firmness and health-related compounds when compared against the control treatment (N9). © 2014 Society of Chemical Industry.

Evaluating Chemical Reactivity And Mechanical Stability Of Nano Palladized Iron Embedded In Activated Carbon On Dechlorination Of Polychlorinated Biphenyls

EPA Science Inventory

Remediation of contaminated sites with hydrophobic organic compounds such as polychlorinated biphenyls (PCBs) remains a scientific and technical challenge. The high stability, low aqueous solubility, and high organic affinity of PCBs make them difficult to treat. Many physical,...

Stability of sublethal acid stress adaptaion and induced cross protection against lauric arginate in Listeria monocytogenes

USDA-ARS?s Scientific Manuscript database

The stability of acid stress adaptation in Listeria monocytogenes and its induced cross protection effect against GRAS (generally recognized as safe) antimicrobial compounds has never been investigated before. In the present study, the acid stress adaptation in L. monocytogenes was initially induced...

76 FR 13072 - Airworthiness Directives; Saab AB, Saab Aerosystems Model SAAB 2000 Airplanes

Federal Register 2010, 2011, 2012, 2013, 2014

2011-03-10

... important to the structural integrity of the horizontal stabilizer. Corrosion damage in these areas, if not... structural integrity of the horizontal stabilizer. Corrosion damage in these areas, if not detected and... convoluted tubing on the harness, applying corrosion prevention compound to the inspected area, making sure...

75 FR 77796 - Airworthiness Directives; Saab AB, Saab Aerosystems Model SAAB 2000 Airplanes

Federal Register 2010, 2011, 2012, 2013, 2014

2010-12-14

... of the horizontal stabilizer. Corrosion damage in these areas, if not detected and corrected, can... of the horizontal stabilizer. Corrosion damage in these areas, if not detected and corrected, can... convoluted tubing on the harness, applying corrosion prevention compound to the inspected area, making sure...

Litter quality impacts short- but not long-term soil carbon dynamics in soil aggregate fractions.

PubMed

Gentile, Roberta; Vanlauwe, Bernard; Six, Johan

2011-04-01

Complex molecules are presumed to be preferentially stabilized as soil organic carbon (SOC) based on the generally accepted concept that the chemical composition of litter is a major factor in its rate of decomposition. Hence, a direct link between litter quality and SOC quantity has been assumed, accepted, and ultimately incorporated in SOC models. Here, however, we present data from an incubation and field experiment that refutes the influence of litter quality on the quantity of stabilized SOC. Three different qualities of litter (Tithonia diversifolia, Calliandra calothyrsus, and Zea mays stover; 4 Mg C x ha(-1) yr(-1)) with and without the addition of mineral N fertilizer (0 or 120 kg N x ha(-1)season(-1) were added to a red clay Humic Nitisol in a 3-yr field trial and a 1.5-yr incubation experiment. The litters differed in their concentrations of N, lignin, and polyphenols with the ratio of (lignin + polyphenols): N ranging from 3.5 to 9.8 for the field trial and from 2.3 to 4.0 for the incubation experiment in the order of T. diversifolia < C. calothyrsus < or = Z. mays. Litter quality did not affect the amount of SOC stabilized after three annual additions in the field trial. Even within the most sensitive soil aggregate fractions, SOC contents and C:N ratios did not differ with litter quality, indicating that litter quality did not influence the mechanisms by which SOC was stabilized. While increasing litter quality displayed faster decomposition and incorporation of C into soil aggregates after 0.25 yr in the incubation study, all litters resulted in equivalent amounts of C stabilized in the soil after 1.5 yr, further corroborating the results of the field trial. The addition of N fertilizer did not affect SOC stabilization in either the field or the incubation trial. Thus, we conclude that, while litter quality controls shorter-term dynamics of C decomposition and accumulation in the soil, longer-term SOC patterns cannot be predicted based on initial litter quality effects. Hence, the formation and stabilization of SOC is more controlled by the quantity of litter input and its interaction with the soil matrix than by litter quality.

Methods to Increase the Metabolic Stability of (18)F-Radiotracers.

PubMed

Kuchar, Manuela; Mamat, Constantin

2015-09-03

The majority of pharmaceuticals and other organic compounds incorporating radiotracers that are considered foreign to the body undergo metabolic changes in vivo. Metabolic degradation of these drugs is commonly caused by a system of enzymes of low substrate specificity requirement, which is present mainly in the liver, but drug metabolism may also take place in the kidneys or other organs. Thus, radiotracers and all other pharmaceuticals are faced with enormous challenges to maintain their stability in vivo highlighting the importance of their structure. Often in practice, such biologically active molecules exhibit these properties in vitro, but fail during in vivo studies due to obtaining an increased metabolism within minutes. Many pharmacologically and biologically interesting compounds never see application due to their lack of stability. One of the most important issues of radiotracers development based on fluorine-18 is the stability in vitro and in vivo. Sometimes, the metabolism of (18)F-radiotracers goes along with the cleavage of the C-F bond and with the rejection of [(18)F]fluoride mostly combined with high background and accumulation in the skeleton. This review deals with the impact of radiodefluorination and with approaches to stabilize the C-F bond to avoid the cleavage between fluorine and carbon.

Application of bicyclic and cage compounds

NASA Technical Reports Server (NTRS)

Clark, R. D.; Archuleta, B. S.

1976-01-01

The results of a literature survey of the field of bicyclic and cage compounds were presented, with the objective of identifying those types of compounds with unusual physical and chemical stability, and determining what practical applications have been found for these compounds. Major applications have been as polymers, polymer additives, medicinals, and pesticides. Lesser applications have included fuels, fuel additives, lubricants, lubricant additives, and perfumes. Several areas where further work might be useful were also outlined; these are primarily in the areas of polymers, polymer additives, medicinals, and synthetic lubricants.

Orally available stilbene derivatives as potent HDAC inhibitors with antiproliferative activities and antitumor effects in human tumor xenografts.

PubMed

Kachhadia, Virendra; Rajagopal, Sridharan; Ponpandian, Thanasekaran; Vignesh, Radhakrishnan; Anandhan, Karnambaram; Prabhu, Daivasigamani; Rajendran, Praveen; Nidhyanandan, Saranya; Roy, Anshu Mittal; Ahamed, Fakrudeen Ali; Surendran, Narayanan; Rajagopal, Sriram; Narayanan, Shridhar; Gopalan, Balasubramanian

2016-01-27

Herein we report the synthesis and activity of a novel class of HDAC inhibitors based on 2, 3-diphenyl acrylic acid derivatives. The compounds in this series have shown to be potent HDAC inhibitors possessing significant antiproliferative activity. Further compounds in this series were subjected to metabolic stability in human liver microsomes (HLM), mouse liver microsomes (MLM), and exhibits promising stability in both. These efforts culminated with the identification of a developmental candidate (5a), which displayed desirable PK/PD relationships, significant efficacy in the xenograft models and attractive ADME profiles. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

Temporary anion states of selected amino acids

NASA Astrophysics Data System (ADS)

Aflatooni, K.; Hitt, B.; Gallup, G. A.; Burrow, P. D.

2001-10-01

Vertical attachment energies for the formation of low-lying temporary anion states of glycine, alanine, phenylalanine, tryptophan, and proline in the gas phase are reported using electron transmission spectroscopy. Electron attachment into the empty π* orbital of the -COOH group was observed in all the compounds. Temporary anion states associated with the side groups in phenylalanine and tryptophan are found to be stabilized with respect to those in the reference compounds toluene and indole, respectively, by approximately 0.2 eV. We attribute this to electrostatic effects and explore, using simple theoretical models, the extent to which such anion states could be further stabilized if these amino acids were in zwitterionic form.

Beta-cyclodextrin enhanced gastroprotective effect of (-)-linalool, a monoterpene present in rosewood essential oil, in gastric lesion models.

PubMed

da Silva, Francilene Vieira; de Barros Fernandes, Hélio; Oliveira, Irisdalva Sousa; Viana, Ana Flávia Seraine Custódio; da Costa, Douglas Soares; Lopes, Miriam Teresa Paz; de Lira, Kamila Lopes; Quintans-Júnior, Lucindo José; de Sousa, Adriano Antunes; de Cássia Meneses Oliveira, Rita

2016-11-01

(-)-Linalool is a monoterpene constituent of many essential oils. This particular monoterpene has both anti-inflammatory and antimicrobial activity. Moreover, this compound has been shown to be antinociceptive. However, the poor chemical stability and short half-life prevents the clinical application of (-)-linalool and many other essential oils. Important to the topic of this study, β-cyclodextrin (β-CD) has been used to increase the solubility, stability, and pharmacological effects of numerous lipophilic compounds in vivo. In this study, the gastroprotective activities of (-)-linalool (LIN) and linalool incorporated into inclusion complex containing β-cyclodextrin (LIN-βCD) were evaluated using models of acute and chronic gastric ulcers in rodents. LIN and LIN-βCD showed strong gastroprotective activity (p < 0.001). The LIN-βCD complex revealed that the gastroprotective effect was significantly improved compared with LIN uncomplexed, suggesting that this improvement is related to increased solubility and stability. Taking together the potentiation of the antioxidant profile of this monoterpene, our results suggest that β-CD may represent an important tool for improved gastroprotective activity of (-)-linalool and other water-insoluble compounds.

Composition, Stability, and Bioavailability of Garlic Products Being Used in a Clinical Trial

PubMed Central

Lawson, Larry D.; Gardner, Christopher D.

2008-01-01

In support of a new clinical trial designed to compare the effects of crushed fresh garlic and two types of garlic supplement tablets (enteric-coated dried fresh garlic and dried aged garlic extract) on serum lipids, the three garlic products have been characterized for (a) composition (14 sulfur and 2 non-sulfur compounds), (b) stability of suspected active compounds, and (c) availability of allyl thiosulfinates (mainly allicin) under both simulated gastrointestinal (tablet dissolution) conditions and in vivo. The allyl thiosulfinates of blended fresh garlic were stable for at least two years when stored at −80 °C. The dissolution release of thiosulfinates from the enteric-coated garlic tablets was found to be >95%. The bioavailability of allyl thiosulfinates from these tablets, measured as breath allyl methyl sulfide, was found to be complete and equivalent to that of crushed fresh garlic. S-allylcysteine was stable for 12 months at ambient temperature. The stability of the suspected active compounds under the conditions of the study and the bioavailability of allyl thiosulfinates from the dried garlic supplement have validated the use of these preparations for comparison in a clinical trial. PMID:16076102

Stability of Sodium Nitroprusside in 5% Dextrose Stored at 4°C in Polypropylene Syringes Protected from Light.

PubMed

Anderson, Collin R; Collins, Deborah; Laursen, Trevor; Arave, Trevor; Helm, Michael

2016-01-01

Sodium nitroprusside is a potent vasodilator employed intraoperatively and within critical care areas. The photolabile pharmaceutical agent has been used for decades and various stability studies have been executed. Due to potential shortages and the desire to batch compound sodium nitroprusside at a concentration of 1 mg/mL in polypropylene syringes, a new stability study was performed. Chromatographic analysis was conducted on a C18 column, with elution via an aqueous phase of 0.01 M sodium phosphate monobasic, adjusted to pH 6.5 with sodium hydroxide, and methanol (97.5:2.5) at a rate of 1 mL/min, and subsequent ultraviolet detection at 210 nm. Triplicate determinations of four samples, stored under refrigeration at 4°C, were obtained initially and on days 2, 5, and 9. Turbidity and pH measurements were performed in conjunction with visual observation on days of chromatographic analysis. Results demonstrate that sodium nitroprusside compounded in 5% dextrose at a concentration of 1 mg/mL, stored at 4°C protected from light in polypropylene syringes, is physically and chemically stable for at least 9 days. Copyright© by International Journal of Pharmaceutical Compounding, Inc.

Structural, quantum chemical, vibrational and thermal studies of a hydrogen bonded zwitterionic co-crystal (nicotinic acid: pyrogallol)

NASA Astrophysics Data System (ADS)

Prabha, E. Arockia Jeya Yasmi; Kumar, S. Suresh; Athimoolam, S.; Sridhar, B.

2017-02-01

In the present work, a new co-crystal of nicotinic acid with pyrogallol (NICPY) has been grown in the zwitterionic form and the corresponding structural, vibrational, thermal, solubility and anti-cancer characteristics have been reported. The single crystal X-ray diffraction analysis confirms that the structural molecular packing of the crystal stabilized through N-H⋯O and O-H⋯O hydrogen bond. The stabilization energy of the hydrogen bond motifs were calculated in the solid state. Vibrational spectral studies such as Fourier transform-infrared (FT-IR) and FT-Raman were adopted to understand the zwitterionic co-crystalline nature of the compound, which has been compared with theoretically calculated vibrational frequencies. The thermal stability of the grown co-crystal was analyzed by TG/DTA study. The solubility of the NICPY co-crystal was investigated in water at different temperature and compared with that of the nicotinic acid, which is the parent compound of NICPY co-crystal. The grown crystals were treated with human cervical cancer cell line (HeLa) to analyze the cytotoxicity of NICPY crystals and compared with the parent compound, which shows that NICPY has moderate activity against human cervical cancer cell line.

The chemistry of the superheavy elements. II. The stability of high oxidation states in group 11 elements: Relativistic coupled cluster calculations for the di-, tetra- and hexafluoro metallates of Cu, Ag, Au, and element 111

NASA Astrophysics Data System (ADS)

Seth, Michael; Cooke, Fiona; Schwerdtfeger, Peter; Heully, Jean-Louis; Pelissier, Michel

1998-09-01

The stability of the high oxidation states +3 and +5 in Group 11 fluorides is studied by relativistic Møller-Plesset (MP) and coupled cluster methods. Higher metal oxidation states are stabilized by relativistic effects. As a result, the hexafluoro complex of the Group 11 element with nuclear charge 111 and oxidation state +5 is the most stable compared to the other congeners. The results also suggest that AgF6- is thermodynamically stable and, therefore, it might be feasable to synthesize this compound. For the copper fluorides we observe very large oscillations in the Møller-Plesset series up to the fourth order. Nonrelativistic calculations lead to the expected trend in the metal-fluorine bond distances for the MF2- compounds, CuF2-

Olive Oil Headspace Characterization by a Gas Sensor Array

NASA Astrophysics Data System (ADS)

Santonico, Marco; Gianni, Giacomo; Capuano, Rosamaria; Migliorini, Marzia; Catini, Alexandro; Dini, Francesca; Martinelli, Eugenio; Paolesse, Roberto; D'Amico, Arnaldo; Di Natale, Corrado

2011-09-01

Olive oil quality is strictly correlated to the volatile compounds profile. Both quality and defects can be connected to the presence of specific volatile compounds in the oil headspace. In this paper, olive oil samples have been artificially modified by adding a number of compounds known to be typical of the more frequent defects: fusty, musty, muddy and rancid. Results demonstrate the sensitivity of the electronic nose to the compounds characterizing the defects and then the capability of the instrument to identify the defects in real samples.

High-Quality (CH3NH3)3Bi2I9 Film-Based Solar Cells: Pushing Efficiency up to 1.64.

PubMed

Zhang, Zheng; Li, Xiaowei; Xia, Xiaohong; Wang, Zhuo; Huang, Zhongbing; Lei, Binglong; Gao, Yun

2017-09-07

Bismuth-based solar cells have exhibited some advantages over lead perovskite solar cells for nontoxicity and superior stability, which are currently two main concerns in the photovoltaic community. As for the perovskite-related compound (CH 3 NH 3 ) 3 Bi 2 I 9 applied for solar cells, the conversion efficiency is severely restricted by the unsatisfactory photoactive film quality. Herein we report a novel two-step approach- high-vacuum BiI 3 deposition and low-vacuum homogeneous transformation of BiI 3 to (CH 3 NH 3 ) 3 Bi 2 I 9 -for highly compact, pinhole-free, large-grained films, which are characterized with absorption coefficient, trap density of states, and charge diffusion length comparable to those of some lead perovskite analogues. Accordingly, the solar cells have realized a record power conversion of efficiency of 1.64% and also a high external quantum efficiency approaching 60%. Our work demonstrates the potential of (CH 3 NH 3 ) 3 Bi 2 I 9 for highly efficient and long-term stable solar cells.

Site preferences of actinide cations in [NZP] compounds

NASA Astrophysics Data System (ADS)

Hawkins, H. T.; Spearing, D. R.; Smith, D. M.; Hampel, F. G.; Veirs, D. K.; Scheetz, B. E.

2000-07-01

Compounds adopting the sodium dizirconium tris(phosphate) (NaZr2(PO4)3) structure type belong to the [NZP] structural family of compounds. [NZP] compounds possess desirable properties that would permit their application as hosts for the actinides. These properties include compositional flexibility (i.e., three structural sites that can accommodate a variety of different cations), high thermal stability, negligible thermal expansion, and resistance to radiation damage. Experimental data indicate that [NZP] compounds resist dissolution and release of constituents over a wide range of experimental conditions. Moreover, [NZP] compounds may be synthesized by both conventional and novel methods and may be heat treated or sintered at modest temperatures (800 °C-1350 °C) in open or restricted systems.

Creating a Holistic Extractables and Leachables (E&L) Program for Biotechnology Products.

PubMed

Li, Kim; Rogers, Gary; Nashed-Samuel, Yasser; Lee, Hans; Mire-Sluis, Anthony; Cherney, Barry; Forster, Ronald; Yeh, Ping; Markovic, Ingrid

2015-01-01

The risk mitigation of extractables and leachables presents significant challenges to regulators and drug manufacturers with respect to the development, as well as the lifecycle management, of drug products. A holistic program is proposed, using a science- and risk-based strategy for testing extractables and leachables from primary containers, drug delivery devices, and single-use systems for the manufacture of biotechnology products. The strategy adopts the principles and concepts from ICH Q9 and ICH Q8(R2). The strategy is phase-appropriate, progressing from extractables testing for material screening/selection/qualification through leachables testing of final products. The strategy is designed primarily to ensure patient safety and product quality of biotechnology products. The holistic program requires robust extraction studies using model solvents, with careful consideration of solvation effect, pH, ionic strength, temperature, and product-contact surface and duration. From a wide variety of process- and product-contact materials, such extraction studies have identified and quantified over 200 organic extractable compounds. The most commonly observed compounds were siloxanes, fatty acid amides, and methacrylates. Toxicology assessments were conducted on these compounds using risk-based decision analysis. Parenteral permitted daily exposure limits were derived, as appropriate, for the majority of these compounds. Analysis of the derived parenteral permitted daily exposure limits helped to establish action thresholds to target high-risk leachables in drug products on stability until expiry. Action thresholds serve to trigger quality investigations to determine potential product impact. The holistic program also evaluates the potential risk for immunogenicity. This approach for primary drug containers and delivery devices is also applicable to single-use systems when justified with a historical knowledge base and understanding of the manufacturing processes of biotechnology products. In the development of a drug product, careful consideration is given to impurities that may originate from manufacturing equipment, process components, and packaging materials. The majority of such impurities are common chemical additives used to improve the physicochemical properties of a wide range of plastic materials. Suppliers and drug manufacturers conduct studies to extract chemical additives from the plastic materials in order to screen and predict those that may leach into a drug product. In this context, the term extractables refers to a profile of extracted compounds observed in studies under harsh conditions. In contrast, the term leachables refers to those impurities that leach from the materials under real-use conditions and may be present in final drug products. The purpose of this article is to present a holistic approach that effectively minimizes the risk of leachables to patient safety and product quality. © PDA, Inc. 2015.

Valorization of functional properties of extract and powder of olive leaves in raw and cooked minced beef meat.

PubMed

Aouidi, Fathia; Okba, Aicha; Hamdi, Moktar

2017-08-01

Olive leaves (OL), available in huge amounts from pruning, are known to be a useful source of biologically active compounds. This study investigated the potential application of OL as a supplement to minced beef meat in order to develop a functional product. The effect of OL extract or powder (100 and 150 µg phenols g -1 meat) on the quality and stability of raw and cooked meat during refrigerated storage was examined. Microwave drying at 600 W gave OL with the highest antioxidant quality (evaluated by TEAC/[phenols] (mg mg -1 ) and DPPH/[phenols] (mg mg -1 )) compared with other methods. OL showed an ability to inhibit (P < 0.05) lipid oxidation (TBARS values (mg MDA kg -1 ) were reduced by 25-65%) and myoglobin oxidation (metmyoglobin production was 43-65% in control samples and 14-35% in treated samples). OL also improved the technological quality of the meat, decreasing (P < 0.05) storage loss (%) and defrosting loss (%) without affecting cooking loss (%) and Napole yield (%). Sensory properties were not modified by the added ingredient at the tested levels (P < 0.05). OL (extract or powder) may have applications in the development of functional meat products of good technological quality that remain stable during storage. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

P-V-T Properties of Polyimides and Model Imide Compounds

NASA Technical Reports Server (NTRS)

Orwoll, Robert A.

1997-01-01

Aromatic polyimides are used as matrix resins in advanced composites, as high strength films, and as high-temperature adhesives, owing in part to their unusual thermal and chemical stability. The polyimides' desirable qualities of very high softening temperatures and negligibly small solubilities in and low permeabilities by most solvents have limited the kinds of fundamental studies that can be performed on these systems. Consequently, relationships between the molecular structure of polyimides and their bulk properties are not as well understood as might be expected given their widespread applications. In particular, the intermolecular forces in polyimides that play a critical role determining their densities, solubilities, viscosities, moduli, glass transitions, etc. are less well characterized for polyimides than for other widely used polymeric materials. The purpose of the present study is to obtain experimental data for establishing parameters that characterize the intermolecular forces in polyimides. We report here our studies on tractable low molecular-weight imides that contain the same structural features that are present in polyimide materials. We have measured equation-of-state properties and dipole moments for a variety of such systems in the liquid state. Both pure compounds and binary mixtures have been studied.

The flocculation mechanism and treatment of oily wastewater by flocculation.

PubMed

Zhang, Zhenchao

2017-11-01

In the present study, the performance of compound flocculants composed of different concentrations of polyaluminum chloride (PAC) and cationic polyacrylamide (CPAM), the influencing mechanism of the flocculation process and the effects of temperature, settling time, and speed and time of stirring were investigated. The results show that the poor water quality with high concentrations of oil, suspended solids (SS) and polymer greatly increases the oily wastewater emulsion stability and the difficulty of the flocculation treatment process. The compound flocculant in oily wastewater treatment can achieve best results at optimum conditions of temperature 45 °C, settling time 60 min, and two stirring stages, 250 r·min -1 for 3 min followed by 100 r·min -1 for 7 min. At the PAC dosage of 80 mg·L -1 and the CPAM dosage of 0.8 mg·L -1 , the turbidity of oily wastewater is reduced from 153.8 NTU to 11.2 NTU, and the turbidity removal rate reaches 92.69%. Through further measurements, oil content and SS content are less than 10 mg·L -1 , which meets the requirement of the Daqing oilfield re-injection standard.

FoodWiki: Ontology-Driven Mobile Safe Food Consumption System

PubMed Central

Çelik, Duygu

2015-01-01

An ontology-driven safe food consumption mobile system is considered. Over 3,000 compounds are being added to processed food, with numerous effects on the food: to add color, stabilize, texturize, preserve, sweeten, thicken, add flavor, soften, emulsify, and so forth. According to World Health Organization, governments have lately focused on legislation to reduce such ingredients or compounds in manufactured foods as they may have side effects causing health risks such as heart disease, cancer, diabetes, allergens, and obesity. By supervising what and how much to eat as well as what not to eat, we can maximize a patient's life quality through avoidance of unhealthy ingredients. Smart e-health systems with powerful knowledge bases can provide suggestions of appropriate foods to individuals. Next-generation smart knowledgebase systems will not only include traditional syntactic-based search, which limits the utility of the search results, but will also provide semantics for rich searching. In this paper, performance of concept matching of food ingredients is semantic-based, meaning that it runs its own semantic based rule set to infer meaningful results through the proposed Ontology-Driven Mobile Safe Food Consumption System (FoodWiki). PMID:26221624

Adsorption studies of volatile organic compounds on germanene nanotube emitted from banana fruit for quality assessment - A density functional application.

PubMed

Srimathi, U; Nagarajan, V; Chandiramouli, R

2018-06-01

We report the density functional application of adsorption behavior of volatile organic compounds (VOCs) emitted from the different ripening stages of banana fruit on germanene nanotube (GNT). Initially, the geometric structural stability of GNT is ascertained and the tunable electronic properties lead to the application of GNT as a base material in order to know the adsorption features of VOCs. We further explored the adsorption behavior of VOCs on to GNT through charge transfer, adsorption energy and band gap variation. The energy band structure and density of states (DOS) spectrum shows a noteworthy variation upon adsorption of different VOCs on to the GNT. Also, the electron density variation is noticed upon adsorption of VOCs emitted from the banana on to the GNT base material. Besides, the difference in the energy band gap of GNT upon emission of VOCs from banana leads to the use of GNT as a chemiresistor to assess fruit freshness with adsorption studies. Moreover, we suggest the use of GNT to discriminate the fruit freshness of banana through the adsorption process of VOCs on to GNT. Copyright © 2018 Elsevier Inc. All rights reserved.

Classification of the fragrant styles and evaluation of the aromatic quality of flue-cured tobacco leaves by machine-learning methods.

PubMed

Gu, Li; Xue, Lichun; Song, Qi; Wang, Fengji; He, Huaqin; Zhang, Zhongyi

2016-12-01

During commercial transactions, the quality of flue-cured tobacco leaves must be characterized efficiently, and the evaluation system should be easily transferable across different traders. However, there are over 3000 chemical compounds in flue-cured tobacco leaves; thus, it is impossible to evaluate the quality of flue-cured tobacco leaves using all the chemical compounds. In this paper, we used Support Vector Machine (SVM) algorithm together with 22 chemical compounds selected by ReliefF-Particle Swarm Optimization (R-PSO) to classify the fragrant style of flue-cured tobacco leaves, where the Accuracy (ACC) and Matthews Correlation Coefficient (MCC) were 90.95% and 0.80, respectively. SVM algorithm combined with 19 chemical compounds selected by R-PSO achieved the best assessment performance of the aromatic quality of tobacco leaves, where the PCC and MSE were 0.594 and 0.263, respectively. Finally, we constructed two online tools to classify the fragrant style and evaluate the aromatic quality of flue-cured tobacco leaf samples. These tools can be accessed at http://bioinformatics.fafu.edu.cn/tobacco .

Indomethacin derivatives as tubulin stabilizers to inhibit cancer cell proliferation.

PubMed

Chennamaneni, Snigdha; Gan, Chunfang; Lama, Rati; Zhong, Bo; Su, Bin

2016-01-15

Cyclooxygenase (COX) inhibitor Indomethacin analogs exhibited more potent cancer cell growth inhibition and apoptosis inducing activities than the parental compound. The anti-proliferative mechanism investigation of the analogs revealed that they inhibited tubulin polymerization at high concentrations whereas enhanced polymerization at low concentrations. The two opposite activities might antagonize each other and impaired the anti-proliferative activity of the derivatives eventually. In this study, we further performed lead optimization based on the structure activity relationship (SAR) generated. One of the new Indomethacin derivatives compound 11 {2-(4-(benzyloxy)phenyl)-N-(1-(4-bromobenzoyl)-3-(2-((2-(dimethylamino)ethyl)amino)-2-oxoethyl)-2-methyl-1H-indol-5-yl)acetamide} inhibited the proliferation of a panel of cancer cell lines with IC50s at the sub-micromole levels. Further study revealed that the compound only enhanced tubulin polymerization and was a tubulin stabilizer. Published by Elsevier Ltd.

Discovery of Potent, Orally Bioavailable Inhibitors of Human Cytomegalovirus

PubMed Central

2016-01-01

A high-throughput screen based on a viral replication assay was used to identify inhibitors of the human cytomegalovirus. Using this approach, hit compound 1 was identified as a 4 μM inhibitor of HCMV that was specific and selective over other herpes viruses. Time of addition studies indicated compound 1 exerted its antiviral effect early in the viral life cycle. Mechanism of action studies also revealed that this series inhibited infection of MRC-5 and ARPE19 cells by free virus and via direct cell-to-cell spread from infected to uninfected cells. Preliminary structure–activity relationships demonstrated that the potency of compound 1 could be improved to a low nanomolar level, but metabolic stability was a key optimization parameter for this series. A strategy focused on minimizing metabolic hydrolysis of the N1-amide led to an alternative scaffold in this series with improved metabolic stability and good pharmacokinetic parameters in rat. PMID:27190604

Roller bearing geometry design

NASA Technical Reports Server (NTRS)

Savage, M.; Pinkston, B. H. W.

1976-01-01

A theory of kinematic stabilization of rolling cylinders is extended and applied to the design of cylindrical roller bearings. The kinematic stabilization mechanism puts a reverse skew into the rolling elements by changing the roller taper. Twelve basic bearing modification designs are identified amd modeled. Four have single transverse convex curvature in their rollers while eight have rollers which have compound transverse curvature made up of a central cylindrical band surrounded by symmetric bands with slope and transverse curvature. The bearing designs are modeled for restoring torque per unit axial displacement, contact stress capacity, and contact area including dynamic loading, misalignment sensitivity and roller proportion. Design programs are available which size the single transverse curvature roller designs for a series of roller slopes and load separations and which design the compound roller bearings for a series of slopes and transverse radii of curvature. The compound rollers are proportioned to have equal contact stresses and minimum size. Design examples are also given.

RADIATION DOSIMETER

DOEpatents

Balkwell, W.R. Jr.; Adams, G.D. Jr.

1960-05-10

An improvement was made in the determination of amounts of ionizing radiation, particularly low-energy beta particles of less than 1000 rad total dose by means of fluid-phase dosimeter employing a stabilized-- sensitized ferrous-ferric colorimetric system in a sulphuric acid medium. The improvement in the dosimeter consists of adding to the ferrous-ferric system in concentrations of 10/sub -2/ to 10/sup -4/M an organic compound having one or more carboxylic or equivalent groups, such compounds being capable of chelating or complexing the iron ions in the solution. Suitable sensitizing and stabilizing agents are benzoic, phthalic, salicylic, malonic, lactic, maleic, oxalic, citric, succinic, phenolic tartaric, acetic, and adipic acid, as well as other compounds which are added to the solution alone or in certain combinations. As in conventional fluid-phase dosimeters, the absorbed dosage is correlated with a corresponding change in optical density at particular wavelengths of the solution.

Construction of New Coordination Polymers from 4'-(2,4-disulfophenyl)- 3,2':6'3"-terpyridine: Polymorphism, pH-dependent syntheses, structures, and properties

NASA Astrophysics Data System (ADS)

Zhang, Li; Li, Chao-Jie; He, Jia-En; Chen, Yin-Yu; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang

2016-01-01

Nine new coordination compounds, namely, [Co(HDSPTP)2(H2O)4]·4H2O (H2DSPTP=4'-(2,4-disulfophenyl)-3,2':6'3"-terpyridine, 1 and 2), {[Ni(DSPTP)(H2O)4]·3H2O}n (3), {[Cu(HDSPTP)2(H2O)3]·8H2O}n (4), {[Cu(HDSPTP)2(H2O)3]·6H2O}n (5), {[Cu(DSPTP)(H2O)2]·H2O}n (6), {[Zn(DSPTP)(H2O)2]·2H2O}n (7), {[Cd(DSPTP)(H2O)2]·2H2O}n (8), and [Ag2(DSPTP)(H2O)]n (9), were constructed based on a new ligand containing both terpyridyl and sulfo groups. The reactions of H2DSPTP with Co(NO3)2.6H2O resulted in two mononuclear complexes (compounds 1 and 2). They are polymorphisms that display different hydrogen bonding networks. They are selectively synthesized by altering the added alkalis. The reaction of H2DSPTP with Ni(NO3)2·6H2O resulted in a 1D "S-shaped" coordination chain (compound 3). The reactions of Cu(II) with H2DSPTP at different pH value resulted in the following three compounds: two kinds of 1D chains obtained at pH 3.0 and 4.0 for compounds 4 and 5, respectively, and a 3D framework based on binuclear ring units with 4-connected sra topology (Compound 6). The reactions of H2DSPTP with ds-block ions resulted in the following three compounds: a Zn(II) (compound 7) and a Cd(II) (compound 8) 3D frameworks with structures similar to that in compound 6, and a 3D framework based on tetranuclear Ag(I) SBUs with binodal (4,8)-connected flu type 3D framework topology. The structural diversity is mainly attributed to the rich coordination modes (from monodentate to μ7-mode) and conformations (cis-cis and cis-trans) of HDSPTP-/DSPTP2- ligands and the metal center and can be controllable synthesized by altering the alkalis, and pH value. Thermal stability of all compounds was performed, and the thermal behaviors of compounds 6 and 8 were further explored by PXRD. Compound 6 exhibits low thermal stability and undergo a crystalline-crystalline-amorphous phase transition as temperature increases from 25 °C to 200 °C, and show amorphous-crystalline phase transition when rehydrated. However, compound 8 exhibits high thermal stability above 500 °C. Its crystalline phase can retain above 300 °C and undergo a crystalline-crystalline phase transition as temperature increased to 400 °C, and transit back to compound 8 when rehydrated. Moreover, luminescence properties of compounds 7-9 were also investigated.

Self-perceived gait stability modulates the effect of daily life gait quality on prospective falls in older adults.

PubMed

Weijer, R H A; Hoozemans, M J M; van Dieën, J H; Pijnappels, M

2018-05-01

Quality of gait during daily life activities and perceived gait stability are both independent risk factors for future falls in older adults. We investigated whether perceived gait stability modulates the association between gait quality and falling in older adults. In this prospective cohort study, we used one-week daily-life trunk acceleration data of 272 adults over 65 years of age. Sample entropy (SE) of the 3D acceleration signals was calculated to quantify daily life gait quality. To quantify perceived gait stability, the level of concern about falling was assessed using the Falls Efficacy Scale international (FES-I) questionnaire and step length, estimated from the accelerometer data. A fall calendar was used to record fall incidence during a six-month follow up period. Logistic regression analyses were performed to study the association between falling and SE, step length or FES-I score, and their interactions. High (i.e., poor) SE in vertical direction was significantly associated with falling. FES-I scores significantly modulated this association, whereas step length did not. Subgroup analyses based on FES-I scores showed that high SE in the vertical direction was a risk factor for falls only in older adults who had a high (i.e. poor) FES-I score. In conclusion, perceived gait stability modulates the association between gait quality and falls in older adults such that an association between gait quality and falling is only present when perceived gait stability is poor. The results of the present study indicate that the effectiveness of interventions for fall prevention, aimed at improving gait quality, may be affected by a modulating effect of perceived gait stability. Results indicate that interventions to reduce falls in older adults might sort most effectiveness in populations with both a poor physiological and psychological status. Copyright © 2018 Elsevier B.V. All rights reserved.

Deuteration and fluorination of 1,3-bis(2-phenylethyl)pyrimidine-2,4,6(1H,3H,5H)-trione to improve its pharmacokinetic properties.

PubMed

Xia, Guoyao; Benmohamed, Radhia; Morimoto, Richard I; Kirsch, Donald R; Silverman, Richard B

2014-11-01

Amyotrophic lateral sclerosis (ALS) is a fatal neurodegenerative disease characterized by the progressive loss of motor neurons, leading to muscle weakness, paralysis, and death, most often from respiratory failure. Over 200 pyrimidine-2,4,6-trione (PYT) small molecules, which prevent aggregation and reduce the associated toxicity of mutant superoxide dismutase 1 (SOD1) found in patients with familial ALS, have been synthesized and tested. One of the compounds (1,3-bis(2-phenylethyl)pyrimidine-2,4,6(1H,3H,5H)-trione, (1) was previously found to have an excellent combination of potency efficacy, and some desirable pharmacokinetic properties. To improve the solubility and metabolic stability properties of this compound, deuterium and fluorine were introduced into 1. New analogs with better solubility, plasma stability, and human microsome stability were identified. Copyright © 2014 Elsevier Ltd. All rights reserved.

Modeling Nitrogen Decrease in Water Lettuce Ponds from Waste Stabilization Ponds

NASA Astrophysics Data System (ADS)

Putri, Gitta Agnes; Sunarsih

2018-02-01

This paper presents about the dynamic modeling of the Water Lettuce ponds as a form of improvement from the Water Hyacinth ponds. The purpose of this paper is to predict nitrogen decrease and nitrogen transformation in Water Lettuce ponds integrated with Waste Stabilization Ponds. The model consists of 4 mass balances, namely Dissolved Organic Nitrogen (DON), Particulate Organic Nitrogen (PON), ammonium (NH4+), Nitrate and Nitrite (NOx). The process of nitrogen transformation which considered in a Water Lettuce ponds, namely hydrolysis, mineralization, nitrification, denitrification, plant and bacterial uptake processes. Numerical simulations are performed by giving the values of parameters and the initial values of nitrogen compounds based on a review of previous studies. Numerical results show that the rate of change in the concentration of nitrogen compounds in the integration ponds of waste stabilization and water lettuce decreases and reaches stable at different times.

Cermet electrode

DOEpatents

Maskalick, Nicholas J.

1988-08-30

Disclosed is a cermet electrode consisting of metal particles of nickel, cobalt, iron, or alloys or mixtures thereof immobilized by zirconia stabilized in cubic form which contains discrete deposits of about 0.1 to about 5% by weight of praseodymium, dysprosium, terbium, or a mixture thereof. The solid oxide electrode can be made by covering a substrate with particles of nickel, cobalt, iron, or mixtures thereof, growing a stabilized zirconia solid oxide skeleton around the particles thereby immobilizing them, contacting the skeleton with a compound of praseodymium, dysprosium, terbium, or a mixture thereof, and heating the skeleton to a temperature of at least 500.degree. C. The electrode can also be made by preparing a slurry of nickel, cobalt, iron, or mixture and a compound of praseodymium, dysprosium, terbium, or a mixture thereof, depositing the slurry on a substrate, heating the slurry to dryness, and growing a stabilized zirconia skeleton around the metal particles.

Characterization and stability studies of bioactive compounds and food matrices as evidence in support of health claims.

PubMed

González-Ferrero, Carolina; Sáiz-Abajo, María-José

2015-07-01

The characterization and stability evaluation of food and food constituents (chemical active ingredient/microorganism) for which nutrition or health claims want to be requested are essential for the success of an application to EFSA. This work reviews the requirements that must be fulfilled for a full characterization of the active substance, comprising origin, elaboration, or extraction method, and chemical/microbiological composition, using validated analytical methods. The review focuses not only on establishing the specifications of the final active ingredient or food but also on ensuring homogeneity between batches. In addition, the article discusses the methodologies and conditions of the stability studies that need to be performed on food and food constituents to verify that the relevant compounds--chemical and microbiological active ingredients--will get to the consumer in the intended state and concentration to accomplish the claimed health effect over shelf life.

Investigation of non-covalent and hydrogen bonding interactions on the formation of crystalline networks and supramolecular synthons of a series of α-aminophosphonates: Crystallography and DFT studies

NASA Astrophysics Data System (ADS)

Mirzaei, Masoud; Eshghi, Hossein; Akhlaghi Bagherjeri, Fateme; Mirzaei, Mahdi; Farhadipour, Abolghasem

2018-07-01

α-Aminophosphonates have been rarely explored in the field of crystal engineering. These organic molecules are capable of forming reliable and reproducible supramolecular synthons through non-covalent interactions that can be employed for designing high dimensional supramolecular architectures. Here, we systematically study the influence of conventional and unconventional hydrogen bonding interactions on the formation of these synthons and stability of the crystal packing. The theoretical studies were employed to further confirm the presence of these synthons by comparing the stabilization energies of the dimers and monomers. The dependence of the stability of NH⋯O hydrogen bonds to the aromatic substituents were investigated using NBO analysis. The most stable compound was determined by comparing the HOMO-LUMO energy gap of all compounds and compared with NBO analysis.

Doping-assisted defect control in compound semiconductors

DOEpatents

Specht, Petra; Weber, Eicke R.; Weatherford, Todd Russell

2006-07-11

The present invention relates to the production of thin film epilayers of III–V and other compounds with acceptor doping wherein the acceptor thermally stabilizes the epilayer, stabilize the naturally incorporated native defect population and therewith maintain the epilayer's beneficial properties upon annealing among other advantageous effects. In particular, balanced doping in which the acceptor concentration is similar to (but does not exceed) the antisite defects in the as-grown material is shown to be particularly advantageous in providing thermal stability, high resistivity and ultrashort trapping times. In particular, MBE growth of LT-GaAs epilayers with balanced Be doping is described in detail. The growth conditions greatly enhance the materials reproducibility (that is, the yield in processed devices). Such growth techniques can be transferred to other III–V materials if the growth conditions are accurately reproduced. Materials produced herein also demonstrate advantages in reproducibility, reliability and radiation hardening.

Textural, Rheological and Sensory Properties and Oxidative Stability of Nut Spreads—A Review

PubMed Central

Shakerardekani, Ahmad; Karim, Roselina; Ghazali, Hasanah Mohd; Chin, Nyuk Ling

2013-01-01

Tree nuts are rich in macro and micronutrients, phytochemicals, tocopherols and phenolic compounds. The development of nut spreads would potentially increase the food uses of nuts and introduce consumers with a healthier, non-animal breakfast snack food. Nut spreads are spreadable products made from nuts that are ground into paste. Roasting and milling (particle size reduction) are two important stages for the production of nut spreads that affected the textural, rheological characteristic and overall quality of the nut spread. Textural, color, and flavor properties of nut spreads play a major role in consumer appeal, buying decisions and eventual consumption. Stability of nut spreads is influenced by its particle size. Proper combination of ingredients (nut paste, sweetener, vegetable oil and protein sources) is also required to ensure a stable nut spread product is produced. Most of the nut spreads behaved like a non-Newtonian pseudo-plastic fluid under yield stress which help the producers how to start pumping and stirring of the nut spreads. Similar to other high oil content products, nut spreads are susceptible to autoxidation. Their oxidation can be controlled by application of antioxidants, using processing techniques that minimize tocopherol and other natural antioxidant losses. PMID:23429239

Rye and Wheat Bran Extracts Isolated with Pressurized Solvents Increase Oxidative Stability and Antioxidant Potential of Beef Meat Hamburgers.

PubMed

Šulniūtė, Vaida; Jaime, Isabel; Rovira, Jordi; Venskutonis, Petras Rimantas

2016-02-01

Rye and wheat bran extracts containing phenolic compounds and demonstrating high DPPH• (2,2-diphenyl-1-picrylhydrazyl), ABTS(•+) (2,2'-azino-bis(3-ethylbenzthiazoline-6-sulphonic acid) scavenging and oxygen radical absorbance capacities (ORAC) were tested in beef hamburgers as possible functional ingredients. Bran extracts significantly increased the indicators of antioxidant potential of meat products and their global antioxidant response (GAR) during physiological in vitro digestion. The extracts also inhibited the formation of oxidation products, hexanal and malondialdehyde, of hamburgers during their storage; however, they did not have significant effect on the growth of microorganisms. Hamburgers with 0.8% wheat bran extract demonstrated the highest antioxidant potential. Some effects of bran extracts on other quality characteristics such as pH, color, formation of metmyoglobin were also observed, however, these effects did not have negative influence on the overall sensory evaluation score of hamburgers. Consequently, the use of bran extracts in meat products may be considered as promising means of increasing oxidative product stability and enriching with functional ingredients which might possess health benefits. © 2016 Institute of Food Technologists®

Synthesis and electronic properties of Ruddlesden-Popper strontium iridate epitaxial thin films stabilized by control of growth kinetics

NASA Astrophysics Data System (ADS)

Liu, Xiaoran; Cao, Yanwei; Pal, B.; Middey, S.; Kareev, M.; Choi, Y.; Shafer, P.; Haskel, D.; Arenholz, E.; Chakhalian, J.

2017-12-01

We report on the selective fabrication of high-quality Sr2IrO4 and SrIrO3 epitaxial thin films from a single polycrystalline Sr2IrO4 target by pulsed laser deposition. Using a combination of x-ray diffraction and photoemission spectroscopy characterizations, we discover that within a relatively narrow range of substrate temperature, the oxygen partial pressure plays a critical role in the cation stoichiometric ratio of the films, and triggers the stabilization of different Ruddlesden-Popper (RP) phases. Resonant x-ray absorption spectroscopy measurements taken at the Ir L edge and the O K edge demonstrate the presence of strong spin-orbit coupling, and reveal the electronic and orbital structures of both compounds. These results suggest that in addition to the conventional thermodynamics consideration, higher members of the Srn +1IrnO3 n +1 series can possibly be achieved by kinetic control away from the thermodynamic limit. These findings offer an approach to the synthesis of ultrathin films of the RP series of iridates and can be extended to other complex oxides with layered structure.

Synthesis and electronic properties of Ruddlesden-Popper strontium iridate epitaxial thin films stabilized by control of growth kinetics

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

Liu, Xiaoran; Cao, Yanwei; Pal, B.

2017-12-01

We report on the selective fabrication of high-quality Sr2IrO4 and SrIrO3 epitaxial thin films from a single polycrystalline Sr2IrO4 target by pulsed laser deposition. Using a combination of x-ray diffraction and photoemission spectroscopy characterizations, we discover that within a relatively narrow range of substrate temperature, the oxygen partial pressure plays a critical role in the cation stoichiometric ratio of the films, and triggers the stabilization of different Ruddlesden-Popper (RP) phases. Resonant x-ray absorption spectroscopy measurements taken at the Ir L edge and the O K edge demonstrate the presence of strong spin-orbit coupling, and reveal the electronic and orbital structuresmore » of both compounds. These results suggest that in addition to the conventional thermodynamics consideration, higher members of the Srn+1IrnO3n+1 series can possibly be achieved by kinetic control away from the thermodynamic limit. These findings offer an approach to the synthesis of ultrathin films of the RP series of iridates and can be extended to other complex oxides with layered structure.« less

Quality control and quality assurance plan for bridge channel-stability assessments in Massachusetts

USGS Publications Warehouse

Parker, Gene W.; Pinson, Harlow

1993-01-01

A quality control and quality assurance plan has been implemented as part of the Massachusetts bridge scour and channel-stability assessment program. This program is being conducted by the U.S. Geological Survey, Massachusetts-Rhode Island District, in cooperation with the Massachusetts Highway Department. Project personnel training, data-integrity verification, and new data-management technologies are being utilized in the channel-stability assessment process to improve current data-collection and management techniques. An automated data-collection procedure has been implemented to standardize channel-stability assessments on a regular basis within the State. An object-oriented data structure and new image management tools are used to produce a data base enabling management of multiple data object classes. Data will be reviewed by assessors and data base managers before being merged into a master bridge-scour data base, which includes automated data-verification routines.

Case Report: Diabetic Foot Ulcer Infection Treated with Topical Compounded Medications.

PubMed

Agbi, Kelechi E; Carvalho, Maria; Phan, Ha; Tuma, Cristiane

2017-01-01

An adult diabetic male with three toes amputated on his right foot presented with an ulcer infection on his left foot, unresponsive to conventional antifungal oral medication for over two months. The ulcerated foot wound had a large impairment on the patient's quality of life, as determined by the Wound-QoL questionnaire. The compounding pharmacist recommended and the physician prescribed two topical compounded medicines, which were applied twice a day, free of charge at the compounding pharmacy. The foot ulcer infection was completely resolved following 13 days of treatment, with no longer any impairment on the patient's quality of life. This scientific case study highlights the value of pharmaceutical compounding in current therapeutics, the importance of the triad relationship, and the key role of the compounding pharmacist in diabetes care. Copyright© by International Journal of Pharmaceutical Compounding, Inc.

Effect of barrier properties of zein colloidal particles and oil-in-water emulsions on oxidative stability of encapsulated bioactive compounds

USDA-ARS?s Scientific Manuscript database

Oxidation of encapsulated bioactive compounds is a key challenge that limits shelf-life of bioactive containing products. The objectives of this study were to compare differences between the oxidative barrier properties of biopolymer particle based encapsulation system (zein colloidal particles) and...

Basics of Sterile Compounding: Manipulating Peptides and Proteins.

PubMed

Akers, Michael J

2017-01-01

Biopharmaceuticals contain primary and secondary structure, which offer few problems. It is the tertiary structure that causes problems, resulting in both physical and chemical stability issues. The thrust of this article is to share briefly what can be done to minimize these problems. Copyright© by International Journal of Pharmaceutical Compounding, Inc.

SPECIATION OF NON-PESTICIDAL ORGANOTIN COMPOUNDS USING GAS CHROMATOGRAPHY WITH INDUCTIVELY COUPLED PLASMA-MASS SPECTROMETRY

EPA Science Inventory

Organotins can be classified into a broad class of compounds referred to as endocrine disruptors and are presently being used in many applications such as UV stabilizers in polyvinyl chloride (PVC) pipes, antifoulants in marine paints, and as fungicides to name a few. The organo...

Spectroscopic analysis of 8-hydroxyquinoline derivatives and investigation of its reactive properties by DFT and molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Sureshkumar, B.; Mary, Y. Sheena; Resmi, K. S.; Panicker, C. Yohannan; Armaković, Stevan; Armaković, Sanja J.; Van Alsenoy, C.; Narayana, B.; Suma, S.

2018-03-01

Two 8-hydroxyquinoline derivatives, 5,7-dichloro-8-hydroxyquinoline (57DC8HQ) and 5-chloro-7-iodo-8-hydroxy quinoline (5CL7I8HQ) have been investigated in details by means of spectroscopic characterization and computational molecular modelling techniques. FT-IR and FT-Raman experimental spectroscopic approaches have been utilized in order to obtain detailed spectroscopic signatures of title compounds, while DFT calculations have been used in order to visualize and assign vibrations. The computed values of dipole moment, polarizability and hyperpolarizability indicate that the title molecules exhibit NLO properties. The evaluated HOMO and LUMO energies demonstrate the chemical stability of the molecules. NBO analysis is made to study the stability of the molecules arising from hyperconjugative interactions and charge delocalization. DFT calculations have been also used jointly with MD simulations in order to investigate in details global and local reactivity properties of title compounds. Also, molecular docking has been also used in order to investigate affinity of title compounds against decarboxylase inhibitor and quinoline derivatives can be a lead compounds for developing new antiparkinsonian drug.

Gum formation tendencies of olefinic structures in gasoline and synergistic effect of sulphur compounds

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

Nagpal, J.M.; Joshi, G.C.; Aswal, D.S.

1995-04-01

The high octane gasoline pool contains varying amounts of cracked naphthas as an important ingredient in formulating high octane lead free gasoline. The cracked naphthas are largely from Fluidized Catalytic Cracking (FCC) units and to lesser extend from thermal cracking units. While the role of olefinic unsaturation in gum formation during storage of gasoline has been extensively studied, there is little published work on contribution of individual olefin types in storage stability and gum formation tendency of gasoline containing these compound types. In the present work we report our results on storage stability and gum formation tendency of different olefinmore » types present in cracked naphthas through model compound matrix. It is found that cyclic olefins and cyclic diolefins are the most prolific gum formers. We have also studied the role of sulfur compounds present in the gasolines on gum formation tendency of olefins. While thiols enhance gum formation from all olefinic types, sulfides and disulfides interact depending on the structure of olefins. These can have either an accelerating, or inhibiting effect on gum formation.« less

The stability of amitriptyline N-oxide and clozapine N-oxide on treated and untreated dry blood spot cards.

PubMed

Temesi, David; Swales, John; Keene, Warren; Dick, Samuel

2013-03-25

Procedures for drug monitoring based on Dried Blood Spot (DBS) sampling are gaining acceptance for an increasing number of clinical and preclinical applications, where ease of use, small sample requirement, and improved sample stability have been shown to offer advantages over blood tube sampling. However, to-date, the vast majority of this work has described the analysis of well characterized drugs. Using amitriptyline, clozapine, and their potentially labile N-oxide metabolites as model compounds, we consider the merits of using DBS for discovery pharmacokinetic (PK) studies where the metabolic fate of test compounds are often unknown. Both N-oxide metabolites reverted to parent compound under standard drying (2hr) and extraction conditions. Card type significantly affected the outcome, with 14% and 22% degradation occurring for clozapine-N-oxide and amitriptyline-N-oxide on a brand of untreated DBS cards, compared to 59 and 88% on a brand of treated DBS cards. Enrichment of the parent compound ex vivo leads to overestimation of circulating blood concentration and inaccurate determination of the PK profile. Copyright © 2012 Elsevier B.V. All rights reserved.

An acetate prodrug of a pyridinol-based vitamin E analogue.

PubMed

Khdour, Omar M; Lu, Jun; Hecht, Sidney M

2011-11-01

To investigate of an approach to stabilize a novel pyridinol based α-tocopherol analogue (1) as a prodrug by acetylation of its phenol moiety. Biochemical indicators of oxidative stress in mitochondria were utilized to gain insight into the cytoprotective mechanism(s) of compound 1 acetate. Oxygen free radical scavenging activity was measured using DCF probe in a cultured cell model system that had been placed under oxidative stress. Lipid peroxidation was examined both in a cell-free system and in oxidatively stressed cultured cells. The bioenergetic parameters of mitochondria were evaluated by measuring mitochondrial membrane potential (Δψ(m)) and the MPT. The present results suggest strongly that the antioxidant efficacy of compound 1 can be improved by using it as a prodrug. The tested prodrug has shown to be activated as a function of time, presumably due to susceptibility to enzymatic hydrolysis, and exhibits an antioxidant effect in time-dependent manner, providing a compound that is more effective than α-tocopherol acetate with regard to all protective properties studied. An effective approach to stabilize compound 1 was realized by using its acetate as a prodrug.

Yield and quality responses of citrus (Citrus reticulate) and tea (Podocarpus fleuryi Hickel.) to compound fertilizers*

PubMed Central

Wang, Rui; Shi, Xue-gen; Wei, You-zhang; Yang, Xiao-e; Uoti, Juhani

2006-01-01

Experiments were carried out with citrus (Citrus reticulate) and tea (Podocarpus fleuryi Hickel.) to study the effects of compound fertilizers on their yields and quality. In the citrus experiment, application of compound fertilizers increased available P, K and Mg contents in soil but decreased alkali-hydrolyzable N contents in soil and N, P and K contents in leaves. In the tea experiment, application of compound fertilizers increased available P, K and Mg contents in soil and N, P, K and Mg contents in leaves but decreased alkali-hydrolyzable N in soil compared with the urea treatment. Application of compound fertilizers could improve the quality of citrus and tea, increase their yields and enhance their economical profits significantly. Compared with the control, application of compound fertilizers increased citrus yields by 6.31, 12.94 and 17.69 t/ha, and those of tea by 0.51, 0.86 and 1.30 t/ha, respectively. Correspondingly, profits were increased by 21.4% to 61.1% for citrus and by 10.0% to 15.7% for tea. Optimal rates of compound fertilizers were recommended for both crops. PMID:16909469

Field guide for collecting samples for analysis of volatile organic compounds in stream water for the National Water-Quality Assessment Program

USGS Publications Warehouse

Shelton, Larry R.

1997-01-01

For many years, stream samples for analysis of volatile organic compounds have been collected without specific guidelines or a sampler designed to avoid analyte loss. In 1996, the U.S. Geological Survey's National Water-Quality Assessment Program began aggressively monitoring urban stream-water for volatile organic compounds. To assure representative samples and consistency in collection procedures, a specific sampler was designed to collect samples for analysis of volatile organic compounds in stream water. This sampler, and the collection procedures, were tested in the laboratory and in the field for compound loss, contamination, sample reproducibility, and functional capabilities. This report describes that sampler and its use, and outlines field procedures specifically designed to provide contaminant-free, reproducible volatile organic compound data from stream-water samples. These guidelines and the equipment described represent a significant change in U.S. Geological Survey instructions for collecting and processing stream-water samples for analysis of volatile organic compounds. They are intended to produce data that are both defensible and interpretable, particularly for concentrations below the microgram-per-liter level. The guidelines also contain detailed recommendations for quality-control samples.

Multi-view 3D echocardiography compounding based on feature consistency

NASA Astrophysics Data System (ADS)

Yao, Cheng; Simpson, John M.; Schaeffter, Tobias; Penney, Graeme P.

2011-09-01

Echocardiography (echo) is a widely available method to obtain images of the heart; however, echo can suffer due to the presence of artefacts, high noise and a restricted field of view. One method to overcome these limitations is to use multiple images, using the 'best' parts from each image to produce a higher quality 'compounded' image. This paper describes our compounding algorithm which specifically aims to reduce the effect of echo artefacts as well as improving the signal-to-noise ratio, contrast and extending the field of view. Our method weights image information based on a local feature coherence/consistency between all the overlapping images. Validation has been carried out using phantom, volunteer and patient datasets consisting of up to ten multi-view 3D images. Multiple sets of phantom images were acquired, some directly from the phantom surface, and others by imaging through hard and soft tissue mimicking material to degrade the image quality. Our compounding method is compared to the original, uncompounded echocardiography images, and to two basic statistical compounding methods (mean and maximum). Results show that our method is able to take a set of ten images, degraded by soft and hard tissue artefacts, and produce a compounded image of equivalent quality to images acquired directly from the phantom. Our method on phantom, volunteer and patient data achieves almost the same signal-to-noise improvement as the mean method, while simultaneously almost achieving the same contrast improvement as the maximum method. We show a statistically significant improvement in image quality by using an increased number of images (ten compared to five), and visual inspection studies by three clinicians showed very strong preference for our compounded volumes in terms of overall high image quality, large field of view, high endocardial border definition and low cavity noise.

Recent trends in the development of nanophytobioactive compounds and delivery systems for their possible role in reducing oxidative stress in Parkinson’s disease models

PubMed Central

Ganesan, Palanivel; Ko, Hyun-Myung; Kim, In-Su; Choi, Dong-Kug

2015-01-01

Oxidative stress plays a very critical role in neurodegenerative diseases, such as Parkinson’s disease (PD), which is the second most common neurodegenerative disease among elderly people worldwide. Increasing evidence has suggested that phytobioactive compounds show enhanced benefits in cell and animal models of PD. Curcumin, resveratrol, ginsenosides, quercetin, and catechin are phyto-derived bioactive compounds with important roles in the prevention and treatment of PD. However, in vivo studies suggest that their concentrations are very low to cross blood–brain barrier thereby it limits bioavailability, stability, and dissolution at target sites in the brain. To overcome these problems, nanophytomedicine with the controlled size of 1–100 nm is used to maximize efficiency in the treatment of PD. Nanosizing of phytobioactive compounds enhances the permeability into the brain with maximized efficiency and stability. Several nanodelivery techniques, including solid lipid nanoparticles, nanostructured lipid carriers, nanoliposomes, and nanoniosomes can be used for controlled delivery of nanobioactive compounds to brain. Nanocompounds, such as ginsenosides (19.9 nm) synthesized using a nanoemulsion technique, showed enhanced bioavailability in the rat brain. Here, we discuss the most recent trends and applications in PD, including 1) the role of phytobioactive compounds in reducing oxidative stress and their bioavailability; 2) the role of nanotechnology in reducing oxidative stress during PD; 3) nanodelivery systems; and 4) various nanophytobioactive compounds and their role in PD. PMID:26604750

Quinazoline derivative from indigenous isolate, Nocardiopsis alba inhibits human telomerase enzyme.

PubMed

Kiran, K G; Thandeeswaran, M; Ayub Nawaz, K A; Easwaran, M; Jayagopi, K K; Ebrahimi, L; Palaniswamy, M; Mahendran, R; Angayarkanni, J

2016-12-01

Aim of this study was isolation and screening of various secondary metabolites produced by indigenous isolates of soil Actinomycetes for human telomerase inhibitory activity. Extracellular extract from culture suspension of various soil Actinomycetes species were tested for telomerase inhibitory activity. The organism which produced telomerase inhibitor was identified by 16S rRNA gene sequencing. The active fraction was purified by HPLC and analysed by GC-MS to identify the compound. In GC-MS analysis, the active principle was identified as 3-[4'-(2″-chlorophenyl)-2'-thiazolyl]-2,4-dioxo-1,2,3,4-tetrahydro quinazoline. The G-quadruplex stabilizing ability of the compound was checked by molecular docking and simulation experiments with G-quadruplex model (PDB ID-1L1H). The selective binding ability of the compound with G-quadruplex over Dickerson-Drew dodecamer DNA structures showed that the compound possess high selectivity towards G-quadruplex. Quinazoline derivative isolated from an indigenous strain of Nocardiopsis alba inhibited telomerase. Molecular docking and simulation studies predicted that this compound is a strong stabilizer of G-quadruplex conformation. It also showed a preferable binding to G-quadruplex DNA over normal DNA duplex. This particular compound can be suggested as a suitable compound for developing a future anticancer drug. The selectivity towards G-quadruplex over normal DNA duplex gives a clue that it is likely to show lower cytotoxicity in normal cells. © 2016 The Society for Applied Microbiology.

Molecular and microscopic insights into the persistence of soil organic matter in a red pine rhizosphere

USDA-ARS?s Scientific Manuscript database

Microbially-derived carbon inputs to soils play an important role in stabilization of soil organic matter (SOM), but detailed knowledge of basic mechanisms of carbon (C) cycling, such as stabilization of organic C compounds originating from rhizodeposition, is lacking. This study aimed to investigat...

Encapsulation of indole-3-carbinol and 3'3'-diindolylmethane in zein/carboxymethyl chitosan nanoparticles with controlled release property and improved stability

USDA-ARS?s Scientific Manuscript database

Indole-3-carbinol (I3C) and diindolylmethane (DIM) are two bioactive compounds from Cruciferous vegetables. Their stabilities are the major challenges for their pharmaceutical applications. In this study, zein and zein/carboxymethyl chitosan (zein/CMCS) nanoparticles have been prepared to encapsulat...

Several vapor phase chemical treatments for dimensional stabilization of wood

Treesearch

H.M. Barnes; E.T. Choong; R.C. Mcllhenny

1969-01-01

A bench-scale system for the impregnation of wood with volatile compounds was constructed for the purpose of testing the system concept and evaluating various polymeric bulking materials as dimensional stabilizing agents. Provisions were incorporated for recycling the treating material, introduction of two separate materials alternately or simultaneously, timed-cycle...

Development and stability evaluation of water-in-edible oils emulsions formulated with the incorporation of hydrophilic Hibiscus sabdariffa extract.

PubMed

Pimentel-Moral, Sandra; Rodríguez-Pérez, Celia; Segura-Carretero, Antonio; Martínez-Férez, Antonio

2018-09-15

New functional oils (extra virgin olive oil, EVOO and sunflower oil, SO) containing antioxidants from Hibiscus sabdariffa extract were developed by W/O emulsion. Their physical and chemical stability was measured over time. The lowest coalescence rate was obtained with 8 and 12 wt% surfactant amount for EVOO and SO emulsions, respectively. Before the evaluation of the oxidative stability, an optimization of phenolic compounds extraction from emulsions by multi-response surface methodology was performed. EVOO emulsions were chemically more stable over time than SO emulsions in terms of total phenolic content (TPC), antioxidant activity and chemical composition measured by HPLC-ESI.TOF-MS. TPC significantly increased (from 2.02 ± 0.07 to 2.71 ± 0.06 mg Eq GAE/g extract) and the antioxidant activity measured by TEAC remained constant for 1 month of storage. Thus, W/O emulsion technology has proven to be a potential method to vehiculize and stabilize bioactive compounds from H. sabdariffa into edible oils. Copyright © 2018 Elsevier Ltd. All rights reserved.

Effect of buffer and antioxidant on stability of a mercaptopurine suspension.

PubMed

Aliabadi, Hamidreza Montazeri; Romanick, Marcel; Desai, Sunil; Lavasanifar, Afsaneh

2008-03-01

The stability of standard and modified mercaptopurine suspensions when stored at room temperature and under refrigerated conditions to test the feasibility of increasing shelf life was studied. A 50-mg/mL mercaptopurine suspension was compounded by adding simple syrup, cherry syrup, and sterile water for irrigation to triturated mercaptopurine tablets for the initial reference formulation. Three additional formulations were prepared by adding an antioxidant (ascorbic acid 10 mg), a buffer (sodium phosphate monobasic monohydrate 500 mg), and a combination of antioxidant and buffer to the reference formulation. Each compounded batch was divided into two parts and stored in amber bottles at room temperature (19-23 degrees C) or under refrigerated conditions (4-8 degrees C). Analysis through high-performance liquid chromatography determined mercaptopurine levels after three and seven days and weekly thereafter for at least two weeks after shelf life was reached under specified storage conditions. Solutions with at least 93% of the original mercaptopurine concentration and with no observable sign of aggregation or cake formation were considered stable. The reference suspension of mercaptopurine showed an acceptable physical and chemical stability of up to 5 weeks when stored at room temperature. The addition of ascorbic acid extended the shelf life of the compounded suspension to 11 weeks. However, the addition of sodium phosphate monobasic did not improve the stability of mercaptopurine in the suspension. The results showed a higher stability for all formulations after storage at room temperature compared with those stored in a refrigerator. A standard oral suspension of mercaptopurine contained an acceptable drug concentration for up to 5 weeks when stored at room temperature. The addition of ascorbic acid at a concentration of 0.1% w/v to the standard formulation increased the suspension's shelf life at room temperature to 11 weeks.

MODEL DEVELOPMENT AND TESTING FOR SEMI-VOLATILES (ATRAZINE)

EPA Science Inventory

The Community Multi-Scale Air Quality (CMAQ) model, air quality model within EPA's Models-3 system, can be adapted to simulate the fate of semi-volatile compounds that are emitted into the atmosphere. "Semi-volatile" refers to compounds that partition their mass between two ph...

Predicting Relationship Stability Among Midlife African American Couples

PubMed Central

Cutrona, Carolyn E.; Russell, Daniel W.; Burzette, Rebecca G.; Wesner, Kristin A.; Bryant, Chalandra M.

2012-01-01

Objective This study examined predictors of relationship stability over 5 years among heterosexual cohabiting and married African American couples raising an elementary-school-age child. The vulnerability–stress–adaptation model of relationships (Karney & Bradbury, 1995) guided the investigation. Contextual variables were conceptualized as important determinants of education and income, which in turn influence family structure, stress, and relationship quality and stability. Religiosity was tested as a resource variable that enhances relationship stability. Method Couples (N = 207) were drawn from the Family and Community Health Study. Variables assessed at Wave 1 (education, income, religiosity, biological vs. stepfamily status, marital status, financial strain, and relationship quality) were used to predict relationship stability 5 years later. Results Higher levels of education were associated with higher income, lower financial strain, and family structures that research has shown to be more stable (marriage rather than cohabitation and biological-family rather than stepfamily status; Bumpass & Lu, 2000). These variables, in turn, influenced relationship quality and stability. Religiosity, an important resource in the lives of African Americans, promoted relationship stability through its association with marriage, biological-family status, and women’s relationship quality. Conclusions Enhancing the stability of African American couples’ relationships will require changes in societal conditions that limit opportunities for education and income and weaken relationship bonds. Programs to assist couples with blended families are needed, and incorporation of spirituality into culturally sensitive relationship interventions for African American couples may also prove beneficial. PMID:22004304

Development of a sensitive determination method for benzotriazole UV stabilizers in enviromental water samples with stir bar sorption extraction and liquid desorption prior to ultra-high performance liquid chromatography with tandem mass spectrometry.

PubMed

Montesdeoca-Esponda, Sarah; del Toro-Moreno, Adrián; Sosa-Ferrera, Zoraida; Santana-Rodríguez, José Juan

2013-07-01

Benzotriazole UV stabilizers are emerging compounds used in personal care products and can enter surface water after passing through wastewater treatment plants without being removed. Because these analytes are strongly hydrophobic, there is an environmental risk of accumulation in solid matrices and magnification through the trophic chain. In this work, a method based on stir bar sorption extraction with liquid desorption is presented for the extraction of benzotriazole UV stabilizers from water samples. Stir bar sorptive extraction was combined with ultra-high performance LC with MS/MS detection. All important factors affecting the stir bar sorptive extraction procedure are discussed, and the optimized method was applied to seawater and wastewater samples from Gran Canaria Island, providing good selectivity and sensitivity with LODs and limits of quantification in the range of 18.4-55.1 and 61.5-184 ng/L, respectively. Recoveries between 68.4-92.2% were achieved for the more polar compounds, whereas the recoveries were lower for the two less polar compounds, most likely due to their strong absorption into the polydimethylsiloxane stir bar phase that does not allows the complete desorption. The repeatability studies gave RSDs of between 6.45 and 12.6% for all compounds in the real samples. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Compounded Apixaban Suspensions for Enteral Feeding Tubes.

PubMed

Caraballo, Maria L; Donmez, Seda; Nathan, Kobi; Zhao, Fang

2017-07-01

Objective: There is limited information on compounded apixaban formulations for administration via enteral feeding tubes. This study was designed to identify a suitable apixaban suspension formulation that is easy to prepare in a pharmacy setting, is compatible with commonly used feeding tubes, and has a beyond-use date of 7 days. Methods: Apixaban suspensions were prepared from commercially available 5-mg Eliquis tablets. Several vehicles and compounding methods were screened for ease of preparation, dosage accuracy, and tube compatibility. Two tubing types, polyurethane and polyvinyl chloride, with varying lengths and diameters, were included in the study. They were mounted on a peg board during evaluation to mimic the patient body position. A 7-day stability study of the selected formulation was also conducted. Results: Vehicles containing 40% to 60% Ora-Plus in water all exhibited satisfactory flowability through the tubes. The mortar/pestle compounding method was found to produce more accurate and consistent apixaban suspensions than the pill crusher or crushing syringe method. The selected formulation, 0.25 mg/mL apixaban in 50:50 Ora-Plus:water, was compatible with both tubing types, retaining >98% drug in posttube samples. The stability study also confirmed that this formulation was stable physically and chemically over 7 days of storage at room temperature. Conclusions: A suitable apixaban suspension formulation was identified for administration via enteral feeding tubes. The formulation consisted of 0.25 mg/mL apixaban in 50:50 Ora-Plus:water. The stability study results supported a beyond-use date of 7 days at room temperature.

[Study on the effect of rhizoma Chuanxiong, radix paeoniae rubra and the compound of their active ingredients, Xiongshao Capsule, on stability of atherosclerotic plaque in ApoE(-/-) mice].

PubMed

Xu, Hao; Wen, Chuan; Chen, Ke-Ji

2007-06-01

To observe the effect of Rhizoma chuanxiong (RC), Radix Paeoniae rubra (RP) and Xiongshao Capsule (XC, a compound of their active ingredients, Chuanxingols and Paeoniflorins) on stability of atherosclerotic plaque in ApoE-/- mice and to explore the probable mechanisms. The effect of RC, RP and XC in stabilizing atherosclerotic plaque, in terms of pathologic morphology, cell composition and inflammatory reaction, in the atherosclerosis model established on ApoE-/- mice was studied by using optical microscope, immunohistochemical method and computerized imaging analysis respectively. After the ApoE-/- mice being fed with high fat diet for 26 weeks, obvious atherosclerotic lesion with typical unstable characteristics was found in their aortic root. Both RC and RP had certain effects in lowering total cholesterol and increasing the thickness of fibre cap. RC could also lower the serum triglyceride (TC) level and the lipid-core/plaque area ratio as well as reduce the macrocytic infiltration. In addition to the same effects as above mentioned, XS could also raise the levels of high density lipoprotein-cholesterol (HDL-C), lower TC/HDL-C ratio, reduce inflammatory reaction and enlarge the collagen area in plaque. The acting links of RC and RP on atherosclerosis are different, the compound of their active ingredients, XS, shows a more evident effect in intervening unstable plaque. It demonstrates the effect-enhancing power of TCM compound and is worth further studying.