Linking algal growth inhibition to chemical activity

DEFF Research Database (Denmark)

Schmidt, Stine N.; Mayer, Philipp

2015-01-01

for baseline toxicity. First, the reported effective concentrations (EC50) were divided by the respective water solubilities (Swater), since the obtained EC50/Swater ratio essentially equals the effective chemical activity (Ea50). The majority of EC50/Swater ratios were within the expected chemical activity...

Environmental high resolution electron microscopy and applications to chemical science

OpenAIRE

Boyes, Edward; Gai, Pratibha

2017-01-01

An environmental cell high resolution electron microscope (EHREM) has been developed for in situ studies of dynamic chemical reactions on the atomic scale. It allows access to metastable intermediate phases of catalysts and to sequences of reversible microstructural and chemical development associated with the activation, deactivation and poisoning of a catalyst. Materials transported through air can be restored or recreated and samples damaged, e.g. by dehydration, by the usual vacuum enviro...

Development of High Temperature/High Sensitivity Novel Chemical Resistive Sensor

Energy Technology Data Exchange (ETDEWEB)

Ma, Chunrui [Univ. of Texas, San Antonio, TX (United States); Enriquez, Erik [Univ. of Texas, San Antonio, TX (United States); Wang, Haibing [Univ. of Texas, San Antonio, TX (United States); Xu, Xing [Univ. of Texas, San Antonio, TX (United States); Bao, Shangyong [Univ. of Texas, San Antonio, TX (United States); Collins, Gregory [Univ. of Texas, San Antonio, TX (United States)

2013-08-13

The research has been focused to design, fabricate, and develop high temperature/high sensitivity novel multifunctional chemical sensors for the selective detection of fossil energy gases used in power and fuel systems. By systematically studying the physical properties of the LnBaCo₂O_5+d (LBCO) [Ln=Pr or La] thin-films, a new concept chemical sensor based high temperature chemical resistant change has been developed for the application for the next generation highly efficient and near zero emission power generation technologies. We also discovered that the superfast chemical dynamic behavior and an ultrafast surface exchange kinetics in the highly epitaxial LBCO thin films. Furthermore, our research indicates that hydrogen can superfast diffuse in the ordered oxygen vacancy structures in the highly epitaxial LBCO thin films, which suggest that the LBCO thin film not only can be an excellent candidate for the fabrication of high temperature ultra sensitive chemical sensors and control systems for power and fuel monitoring systems, but also can be an excellent candidate for the low temperature solid oxide fuel cell anode and cathode materials.

The Electrochemical Characteristics of Hybrid Capacitor Prepared by Chemical Activation of NaOH

Energy Technology Data Exchange (ETDEWEB)

Choi, Jeong Eun; Bae, Ga Yeong; Yang, Jeong Min; Lee, Jong Dae [Chungbuk National Univ., Chungju (Korea, Republic of)

2013-06-15

Active carbons with high specific surface area and micro pore structure were prepared from the coconut shell char using the chemical activation method of NaOH. The preparation process has been optimized through the analysis of experimental variables such as activating chemical agents to char ratio and the flow rate of gas during carbonization. The active carbons with the surface area (2,481m{sup 2}/g) and mean pore size (2.32 nm) were obtained by chemical activation with NaOH. The electrochemical performances of hybrid capacitor were investigated using LiMn{sub 2}O{sub 4}, LiCoO{sub 2} as the positive electrode and prepared active carbon as the negative electrode. The electrochemical behaviors of hybrid capacitor using organic electrolytes (LiPF{sub 6}, TEABF{sub 4}) were characterized by constant current charge/discharge, cyclic voltammetry, cycle and leakage tests. The hybrid capacitor using LiMn{sub 2}O{sub 4}/AC electrodes had better capacitance than other hybrid systems and was able to deliver a specific energy as high as 131 Wh/kg at a specific power of 1,448 W/kg.

Steam generators secondary side chemical cleaning at Point Lepreau using the Siemen's high temperature process

International Nuclear Information System (INIS)

Verma, K.; MacNeil, C.; Odar, S.

1996-01-01

The secondary sides of all four steam generators at the Point Lepreau Nuclear Generating Stations were cleaned during the 1995 annual outage run-down using the Siemens high temperature chemical cleaning process. Traditionally all secondary side chemical cleaning exercises in CANDU as well as the other nuclear power stations in North America have been conducted using a process developed in conjunction with the Electric Power Research Institute (EPRI). The Siemens high temperature process was applied for the first time in North America at the Point Lepreau Nuclear Generating Station (PLGS). The paper discusses experiences related to the pre and post award chemical cleaning activities, chemical cleaning application, post cleaning inspection results and waste handling activities. (author)

Preparation and characterization of high surface area activated carbon from Fox nut (Euryale ferox shell by chemical activation with H3PO4

Directory of Open Access Journals (Sweden)

Arvind Kumar

Full Text Available Activated carbons were prepared from Fox nutshell by chemical activation with H3PO4 in N2 atmosphere and their characteristics were studied. The effects of activation temperature and impregnation ratio were examined. N2 adsorption isotherms characterized the surface area, total pore volume, micropore volume and pore size distribution of activated carbons. Activated carbon was produced at 700 °C with a 1.5 impregnation ratio and one hour of activation time has found 2636 m2/g and 1.53 cm3/g of highest BET surface area and total pore volume, respectively. The result of Fourier-infrared spectroscopy analysis of the prepared activated carbon confirmed that the carbon has abundant functional groups on the surface. Field emission scanning electron micrographs of the prepared activated carbon showed that a porous structure formed during activation. Keywords: Activated carbons, Fox nutshell, Chemical activation, H3PO4, Activated carbon, Surface chemistry, Porous structure

Activity profiles of 309 ToxCastTM chemicals evaluated across 292 biochemical targets

International Nuclear Information System (INIS)

Knudsen, Thomas B.; Houck, Keith A.; Sipes, Nisha S.; Singh, Amar V.; Judson, Richard S.; Martin, Matthew T.; Weissman, Arthur; Kleinstreuer, Nicole C.; Mortensen, Holly M.; Reif, David M.; Rabinowitz, James R.; Setzer, R. Woodrow; Richard, Ann M.; Dix, David J.; Kavlock, Robert J.

2011-01-01

Understanding the potential health risks posed by environmental chemicals is a significant challenge elevated by the large number of diverse chemicals with generally uncharacterized exposures, mechanisms, and toxicities. The present study is a performance evaluation and critical analysis of assay results for an array of 292 high-throughput cell-free assays aimed at preliminary toxicity evaluation of 320 environmental chemicals in EPA's ToxCast TM project (Phase I). The chemicals (309 unique, 11 replicates) were mainly precursors or the active agent of commercial pesticides, for which a wealth of in vivo toxicity data is available. Biochemical HTS (high-throughput screening) profiled cell and tissue extracts using semi-automated biochemical and pharmacological methodologies to evaluate a subset of G-protein coupled receptors (GPCRs), CYP450 enzymes (CYPs), kinases, phosphatases, proteases, HDACs, nuclear receptors, ion channels, and transporters. The primary screen tested all chemicals at a relatively high concentration 25 μM concentration (or 10 μM for CYP assays), and a secondary screen re-tested 9132 chemical-assay pairs in 8-point concentration series from 0.023 to 50 μM (or 0.009-20 μM for CYPs). Mapping relationships across 93,440 chemical-assay pairs based on half-maximal activity concentration (AC50) revealed both known and novel targets in signaling and metabolic pathways. The primary dataset, summary data and details on quality control checks are available for download at (http://www.epa.gov/ncct/toxcast/).

Runaway chemical reaction exposes community to highly toxic chemicals

International Nuclear Information System (INIS)

Kaszniak, Mark; Vorderbrueggen, John

2008-01-01

The U.S. Chemical Safety and Hazard Investigation Board (CSB) conducted a comprehensive investigation of a runaway chemical reaction at MFG Chemical (MFG) in Dalton, Georgia on April 12, 2004 that resulted in the uncontrolled release of a large quantity of highly toxic and flammable allyl alcohol and allyl chloride into the community. Five people were hospitalized and 154 people required decontamination and treatment for exposure to the chemicals. This included police officers attempting to evacuate the community and ambulance personnel who responded to 911 calls from residents exposed to the chemicals. This paper presents the findings of the CSB report (U.S. Chemical Safety and Hazard Investigation Board (CSB), Investigation Report: Toxic Chemical Vapor Cloud Release, Report No. 2004-09-I-GA, Washington DC, April 2006) including a discussion on tolling practices; scale-up of batch reaction processes; Process Safety Management (PSM) and Risk Management Plan (RMP) implementation; emergency planning by the company, county and the city; and emergency response and mitigation actions taken during the incident. The reactive chemical testing and atmospheric dispersion modeling conducted by CSB after the incident and recommendations adopted by the Board are also discussed

Activation and chemical analysis of drinking water from shallow aquifers

International Nuclear Information System (INIS)

Sharma, H.K.; Mittal, V.K.; Sahota, H.S.

1991-01-01

In most of the Indian cities drinking water is drawn from shallow aqiufers with the help of hand pumps. These shallow aquifers get easilyl polluted. In the present work we have measured 20 trace elements using Neutron Activation Analysis (NAA) and 8 chemical parameters using standard chemical methods of drinking water drawn from Rajpura city. It was found that almost all water samples are highly polluted. We attribute this to unplaned disposal of industrial and domestic waste over a period of many decades. (author) 11 refs.; 1 fig.; 1 tab

Bonding pathways of high-pressure chemical transformations

International Nuclear Information System (INIS)

Hu Anguang; Zhang Fan

2013-01-01

A three-stage bonding pathway towards high-pressure chemical transformations from molecular precursors or intermediate states has been identified by first-principles simulations. With the evolution of principal stress tensor components in the response of chemical bonding to compressive loading, the three stages can be defined as the van der Waals bonding destruction, a bond breaking and forming reaction, and equilibrium of new bonds. The three-stage bonding pathway leads to the establishment of a fundamental principle of chemical bonding under compression. It reveals that during high-pressure chemical transformation, electrons moving away from functional groups follow anti-addition, collision-free paths to form new bonds in counteracting the local stress confinement. In applying this principle, a large number of molecular precursors were identified for high-pressure chemical transformations, resulting in new materials. (fast track communication)

Antimicrobial activity of Iranian propolis and its chemical composition

Directory of Open Access Journals (Sweden)

Yaghoubi M.J.

2007-04-01

Full Text Available The objective of this study was to investigate the antimicrobial activity of ethanol extract of Iranian propolis on some microorganisms using disc diffusion method. The chemical composition of the propolis was also investigated using thin layer chromatography and spectrophotometric methods. Ethanol extract of propolis showed activity only against Gram-positives and fungi, whereas no activity was observed against Gram-negatives. Thin layer chromatography screening revealed the presence of pinocembrine, caffeic acid, kaempferol, phenethyl caffeate, chrysin, and galangin in Iranian propolis. The total flavonoid and phenolic contents were 7.3% and 36%, respectively, which suggests that the strong antimicrobial activity of Iranian propolis may be due to high levels of phenolic and flavonoid compounds.

High-Throughput Screening and Quantitative Chemical Ranking for Sodium-Iodide Symporter Inhibitors in ToxCast Phase I Chemical Library.

Science.gov (United States)

Wang, Jun; Hallinger, Daniel R; Murr, Ashley S; Buckalew, Angela R; Simmons, Steven O; Laws, Susan C; Stoker, Tammy E

2018-05-01

Thyroid uptake of iodide via the sodium-iodide symporter (NIS) is the first step in the biosynthesis of thyroid hormones that are critical for health and development in humans and wildlife. Despite having long been a known target of endocrine disrupting chemicals such as perchlorate, information regarding NIS inhibition activity is still unavailable for the vast majority of environmental chemicals. This study applied a previously validated high-throughput approach to screen for NIS inhibitors in the ToxCast phase I library, representing 293 important environmental chemicals. Here 310 blinded samples were screened in a tiered-approach using an initial single-concentration (100 μM) radioactive-iodide uptake (RAIU) assay, followed by 169 samples further evaluated in multi-concentration (0.001 μM-100 μM) testing in parallel RAIU and cell viability assays. A novel chemical ranking system that incorporates multi-concentration RAIU and cytotoxicity responses was also developed as a standardized method for chemical prioritization in current and future screenings. Representative chemical responses and thyroid effects of high-ranking chemicals are further discussed. This study significantly expands current knowledge of NIS inhibition potential in environmental chemicals and provides critical support to U.S. EPA's Endocrine Disruptor Screening Program (EDSP) initiative to expand coverage of thyroid molecular targets, as well as the development of thyroid adverse outcome pathways (AOPs).

Preparation of activated Carbons from extracted waste biomass by chemical activation

International Nuclear Information System (INIS)

Toteva, V.; Nickolov, R.

2013-01-01

Full text: Novel biomass precursors for the production of activated carbons (ACs) were studied. ACs were prepared from extracted coffee husks and extracted spent ground coffee - separately or as mixtures with 10, 20 and 30 mass % Bulgarian lignite coal. Activation by potassium hydroxide was employed for all samples. The results obtained show that the surface and porous parameters of the ACs depend on the nature of the initial materials used. The specific surface areas (BET) and the microporosities of ACs obtained from extracted spent ground coffee mixed with 20 mass % Bulgarian lignite coals, are greater than those of the ACs from extracted coffee husks. It is likely that the reason for this result is the chemical composition of the precursors. The coffee husks have less lignin and more holocellulose. The latter undergoes more significant destructive changes in the process of chemical activation. On the contrary, waste ground coffee precursors contain more lignin and less holocellulose. As a result, after the chemical activation, the carbons prepared from extracted spent ground coffee exhibit better porous parameters and higher specific surface areas. key words: activated carbons, extraction, waste biomass

Active hydrothermal and non-active massive sulfide mound investigation using a new multiparameter chemical sensor

Science.gov (United States)

Han, C.; Wu, G.; Qin, H.; Wang, Z.

2012-12-01

Investigation of active hydrothermal mound as well as non-active massive sulfide mound are studied recently. However, there is still lack of in-situ detection method for the non-active massive sulfide mound. Even though Transient ElectroMagnetic (TEM) and Electric Self-potential (SP) methods are good, they both are labour, time and money cost work. We proposed a new multiparameter chemical sensor method to study the seafloor active hydrothermal mound as well as non-active massive sulfide mound. This sensor integrates Eh, S2- ions concentration and pH electrochemical electrodes together, and could found chemical change caused by the active hydrothermal vent, even weak chemical abnormalities by non-active massive sulfide hydrothermal mound which MARP and CTD sometimes cannot detect. In 2012, the 1st Leg of the Chinese 26th cruise, the multiparameter chemical sensor was carried out with the deepsea camera system over the Carlsberg Ridge in Indian Ocean by R/V DAYANGYIHAO. It was shown small Eh and S2- ions concentration abnormal around a site at Northwest Indian ridge. This site was also evidenced by the TV grab. In the 2nd Leg of the same cruise in June, this chemical sensor was carried out with TEM and SP survey system. The chemical abnormalities are matched very well with both TEM and SP survey results. The results show that the multiparameter chemical sensor method not only can detect active hydrothermal mound, but also can find the non-active massive sulfide hydrothermal mound.

Activation and chemical analysis of drinking waters

International Nuclear Information System (INIS)

Sharma, H.K.; Mittal, V.K.; Sahota, H.S.

1989-01-01

Ground water samples from Patiala city have been analysed for 22 trace elements using neutron activation analysis and for seven chemical parameters using standard techniques. It was found that alkali and alkaline earth metals have high concentrations in all samples whereas the concentrations of toxic metals are low in the majority of samples. However, chromium and cadmium concentrations are higher in ground water taken from the industrial belt of the city. This indicates that the overall level of pollution is low, but that some measures are still needed to inhibit various industries from polluting the ground water. (author)

Synthesis of sulfonated porous carbon nanospheres solid acid by a facile chemical activation route

Energy Technology Data Exchange (ETDEWEB)

Chang, Binbin, E-mail: changbinbin806@163.com; Guo, Yanzhen; Yin, Hang; Zhang, Shouren; Yang, Baocheng, E-mail: baochengyang@yahoo.com

2015-01-15

Generally, porous carbon nanospheres materials are usually prepared via a template method, which is a multi-steps and high-cost strategy. Here, we reported a porous carbon nanosphere solid acid with high surface area and superior porosity, as well as uniform nanospheical morphology, which prepared by a facile chemical activation with ZnCl{sub 2} using resorcinol-formaldehyde (RF) resins spheres as precursor. The activation of RF resins spheres by ZnCl{sub 2} at 400 °C brought high surface area and large volume, and simultaneously retained numerous oxygen-containing and hydrogen-containing groups due to the relatively low processing temperature. The presence of these functional groups is favorable for the modification of –SO{sub 3}H groups by a followed sulfonation treating with sulphuric acid and organic sulfonic acid. The results of N{sub 2} adsorption–desorption and electron microscopy clearly showed the preservation of porous structure and nanospherical morphology. Infrared spectra certified the variation of surface functional groups after activation and the successful modification of –SO{sub 3}H groups after sulfonation. The acidities of catalysts were estimated by an indirect titration method and the modified amount of –SO{sub 3}H groups were examined by energy dispersive spectra. The results suggested sulfonated porous carbon nanospheres catalysts possessed high acidities and –SO{sub 3}H densities, which endowed their significantly catalytic activities for biodiesel production. Furthermore, their excellent stability and recycling property were also demonstrated by five consecutive cycles. - Graphical abstract: Sulfonated porous carbon nanospheres with high surface area and superior catalytic performance were prepared by a facile chemical activation route. - Highlights: • Porous carbon spheres solid acid prepared by a facile chemical activation. • It owns high surface area, superior porosity and uniform spherical morphology. • It possesses

Use of nuclear receptor luciferase-based bioassays to detect endocrine active chemicals in a biosolids-biochar amended soil.

Science.gov (United States)

Anderson, Carolyn G; Joshi, Geetika; Bair, Daniel A; Oriol, Charlotte; He, Guochun; Parikh, Sanjai J; Denison, Michael S; Scow, Kate M

2017-08-01

Biosolids are a potentially valuable source of carbon and nutrients for agricultural soils; however, potential unintended impacts on human health and the environment must be considered. Virtually all biosolids contain trace amounts endocrine-disrupting chemicals derived from human use of pharmaceuticals and personal care products (PPCPs). One potential way to reduce the bioavailability of PPCPs is to co-apply biosolids with biochar to soil, because biochar's chemical (e.g., aromaticity) and physical properties (e.g., surface area) give it a high affinity to bind many organic chemicals in the environment. We developed a soil-specific extraction method and utilized a luciferase-based bioassay (CALUX) to detect endocrine active chemicals in a biosolids-biochar co-amendment soil greenhouse study. Both biochar (walnut shell, 900 °C) and biosolids had positive impacts on carrot and lettuce biomass accumulation over our study period. However, the walnut shell biochar stimulated aryl hydrocarbon receptor activity, suggesting the presence of potential endocrine active chemicals in the biochar. Since the biochar rate tested (100 t ha -1 ) is above the average agronomic rate (10-20 t ha -1 ), endocrine effects would not be expected in most environmental applications. The effect of high temperature biochars on endocrine system pathways must be explored further, using both quantitative analytical tools to identify potential endocrine active chemicals and highly sensitive bioanalytical assays such as CALUX to measure the resulting biological activity of such compounds. Copyright © 2017 Elsevier Ltd. All rights reserved.

Chemical diversity and antileishmanial activity of crude extracts of Laurencia complex (Ceramiales, Rhodophyta from Brazil

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Fernanda L. da S. Machado

Full Text Available Chemical profiles of extracts of four species from Laurencia complex (Ceramiales, Rhodophyta from different populations collected along Southeast Brazilian coast were assessed by High Performance Liquid Chromatography coupled with a Diode Array Detector in order to observe geographic chemical variability. Aiming to evaluate the impact of chemical diversity on potential pharmaceutical uses, the extracts were tested against the promastigote form of Leishmania amazonensis. The most active extracts were submitted to anti-amastigote and cytotoxicity assays. Principal Component Analysis of the chromatograms resulted in four major groups of chemical profiles according to the presence of leishmanicidal chamigranes (--elatol and obtusol. The existence of chemotypes, displaying variable pharmacological action, is proposed for the differences observed in L. dendroidea samples. Although all extracts were found active against promastigote form of L. amazonensis, their efficacy was remarkably different and not related to the variation of (--elatol and obtusol, which indicates the presence of additional compounds with antileishmanial activity. Moreover, the active extracts also displayed anti-amastigote activity and none of them were considered cytotoxic. The results highlight that the knowledge of chemical geographic variability can be valuable in the search of new antileishmanial compounds from marine sources.

Developing a Highly Active Blood Anticoagulant—a Heparin Complex with Glutamic Acid—by Simulating Chemical Equilibria Based on pH-Metric Data

Science.gov (United States)

Nikolaeva, L. S.; Semenov, A. N.

2018-02-01

The anticoagulant activity of high-molecular-weight heparin is increased by developing a new highly active heparin complex with glutamate using the thermodynamic model of chemical equilibria based on pH-metric data. The anticoagulant activity of the developed complexes is estimated in the pH range of blood plasma according to the drop in the calculated equilibrium Ca2+ concentration associated with the formation of mixed ligand complexes of Ca2+ ions, heparin (Na4hep), and glutamate (H2Glu). A thermodynamic model is calculated by mathematically modelling chemical equilibria in the CaCl2-Na4hep-H2Glu-H2O-NaCl system in the pH range of 2.30 ≤ pH ≤ 10.50 in diluted saline that acts as a background electrolyte (0.154 M NaCl) at 37°C and initial concentrations of the main components of ν × 10-3 M, where n ≤ 4. The thermodynamic model is used to determine the main complex of the monomeric unit of heparin with glutamate (HhepGlu5-) and the most stable mixed ligand complex of Ca2+ with heparin and glutamate (Ca2hepGlu2-) in the pH range of blood plasma (6.80 ≤ pH ≤ 7.40). It is concluded that the Ca2hepGlu2- complex reduces the Ca2+ concentration 107 times more than the Ca2+ complex with pure heparin. The anticoagulant effect of the developed HhepGlu5- complex is confirmed in vitro and in vivo via coagulation tests on the blood plasma of laboratory rats. Additional antithrombotic properties of the developed complex are identified. The new highly active anticoagulant, HhepGlu5- complex with additional antithrombotic properties, is patented.

Molecular activation analysis for chemical species studies

International Nuclear Information System (INIS)

Chai Zhifang; Mao Xueying; Wang Yuqi; Sun Jingxin; Qian Qingfang; Hou Xiaolin; Zhang Peiqun; Chen Chunying; Feng Weiyu; Ding Wenjun; Li Xiaolin; Li Chunsheng; Dai Xiongxin

2001-01-01

The Molecular Activation Analysis (MAA) mainly refers to an activation analysis method that is able to provide information about the chemical species of elements in systems of interest, though its exact definition has remained to be assigned. Its development is strongly stimulated by the urgent need to know the chemical species of elements, because the bulk contents or concentrations are often insignificant for judging biological, environmental or geochemical effects of elements. In this paper, the features, methodology and limitation of MAA were outlined. Further, the up-to-date MAA progress made in our laboratory was introduced as well. (author)

Seasonal Variation, Chemical Composition and Antioxidant Activity of Brazilian Propolis Samples

Directory of Open Access Journals (Sweden)

Érica Weinstein Teixeira

2010-01-01

Full Text Available Total phenolic contents, antioxidant activity and chemical composition of propolis samples from three localities of Minas Gerais state (southeast Brazil were determined. Total phenolic contents were determined by the Folin–Ciocalteau method, antioxidant activity was evaluated by DPPH, using BHT as reference, and chemical composition was analyzed by GC/MS. Propolis from Itapecerica and Paula Cândido municipalities were found to have high phenolic contents and pronounced antioxidant activity. From these extracts, 40 substances were identified, among them were simple phenylpropanoids, prenylated phenylpropanoids, sesqui- and diterpenoids. Quantitatively, the main constituent of both samples was allyl-3-prenylcinnamic acid. A sample from Virginópolis municipality had no detectable phenolic substances and contained mainly triterpenoids, the main constituents being α- and β-amyrins. Methanolic extracts from Itapecerica and Paula Cândido exhibited pronounced scavenging activity towards DPPH, indistinguishable from BHT activity. However, extracts from Virginópolis sample exhibited no antioxidant activity. Total phenolic substances, GC/MS analyses and antioxidant activity of samples from Itapecerica collected monthly over a period of 1 year revealed considerable variation. No correlation was observed between antioxidant activity and either total phenolic contents or contents of artepillin C and other phenolic substances, as assayed by CG/MS analysis.

Chemical Profile and Antioxidant, Anti-Inflammatory, Antimutagenic and Antimicrobial Activities of Geopropolis from the Stingless Bee Melipona orbignyi.

Science.gov (United States)

Santos, Helder Freitas Dos; Campos, Jaqueline Ferreira; Santos, Cintia Miranda Dos; Balestieri, José Benedito Perrella; Silva, Denise Brentan; Carollo, Carlos Alexandre; de Picoli Souza, Kely; Estevinho, Leticia Miranda; Dos Santos, Edson Lucas

2017-05-03

Geopropolis is a resin mixed with mud, produced only by stingless bees. Despite being popularly known for its medicinal properties, few scientific studies have proven its biological activities. In this context, the objective of this study was to determine the chemical composition and antioxidant, anti-inflammatory, antimutagenic and antimicrobial activities of the Melipona orbignyi geopropolis. The hydroalcoholic extract of geopropolis (HEGP) was prepared and its chemical composition determined by high performance liquid chromatography coupled to diode array detector and mass spectrometry (HPLC-DAD-MS). The antioxidant activity was determined by the capture of free radicals and inhibition of lipid peroxidation in human erythrocytes. The anti-inflammatory activity was evaluated by the inhibition of the hyaluronidase enzyme and the antimutagenic action was investigated in Saccharomyces cerevisiae colonies. The antimicrobial activities were determined against bacteria and yeasts, isolated from reference strains and hospital origin. The chemical composition of HEGP included flavonoids, derivatives of glycosylated phenolic acids and terpenoids. HEGP showed high antioxidant activity, it inhibited the activity of the inflammatory enzyme hyaluronidase and reduced the mutagenic effects in S. cerevisiae . In relation to the antimicrobial activity, it promoted the death of all microorganisms evaluated. In conclusion, this study reveals for the first time the chemical composition of the HEGP of M. orbignyi and demonstrates its pharmacological properties.

77 FR 21065 - Certain High Production Volume Chemicals; Test Rule and Significant New Use Rule; Fourth Group of...

Science.gov (United States)

2012-04-09

... 2070-AJ66 Certain High Production Volume Chemicals; Test Rule and Significant New Use Rule; Fourth... an opportunity to comment on a proposed test rule for 23 high production volume (HPV) chemical... necessary, to prohibit or limit that activity before it occurs. The opportunity to present oral comment was...

Expanding the Bioactive Chemical Space of Anthrabenzoxocinones through Engineering the Highly Promiscuous Biosynthetic Modification Steps.

Science.gov (United States)

Mei, Xianyi; Yan, Xiaoli; Zhang, Hui; Yu, Mingjia; Shen, Guangqing; Zhou, Linjun; Deng, Zixin; Lei, Chun; Qu, Xudong

2018-01-19

Anthrabenzoxocinones (ABXs) including (-)-ABXs and (+)-ABXs are a group of bacterial FabF-specific inhibitors with potent antimicrobial activity of resistant strains. Optimization of their chemical structures is a promising method to develop potent antibiotics. Through biosynthetic investigation, we herein identified and characterized two highly promiscuous enzymes involved in the (-)-ABX structural modification. The promiscuous halogenase and methyltransferase can respectively introduce halogen-modifications into various positions of the ABX scaffolds and methylation to highly diverse substrates. Manipulation of their activity in both of the (-)-ABXs and (+)-ABXs biosyntheses led to the generation of 14 novel ABX analogues of both enantiomers. Bioactivity assessment revealed that a few of the analogues showed significantly improved antimicrobial activity, with the C3-hydroxyl and chlorine substitutions critical for their activity. This study enormously expands the bioactive chemical space of the ABX family and FabF-specific inhibitors. The disclosed broad-selective biosynthetic machineries and structure-activity relationship provide a solid basis for further generation of potent antimicrobial agents.

Chemical composition and antifungal activity of thyme (Thymus vulgaris essential oil

Directory of Open Access Journals (Sweden)

S. Farsaraei*

2017-11-01

Full Text Available Background and objectives: The antifungal activity of the essential oils and their constituents against some phytopathogenic fungi has been reported. Thymus vulgaris (Lamiaceae is one of the Thymus species.  A large number of studies have concerned the chemical compositions and antifungal activity of thyme’s oil. In order to reduce the use of synthetic fungicides, recently considerable attention has been given to search for naturally occurring compounds. The aim of the present work was to determine the chemical composition and antifungal activity of T. vulgaris oil cultivated in Iran. Methods: The essential oil from aerial parts of the plant at full flowering stage was subjected to hydrodistillation and chemical compounds were analyzed by GC/GC-MS. The in vitro antifungal activity against three phytopathogenic fungi (Drechslera spicifera, Fusarium oxysporum f.sp. ciceris and Macrophomina phaseolinaby of the oil was evaluated by agar dilution method. The data were subjected to ANOVA according to the SPSS 21 software. Results: Totally 45 compounds representing 96.75% of the oil were found. Thymol (36.81% and ρ-cymene (30.90% were the main components of thyme oil. According to the results, the antifungal activity of the oil increased with a rising in concentration. All of the tested fungi growth was completely inhibited on 1600 µL/L. In this study fungicidal activity was only observed on F. oxysporum and D. spicifera at concentrations higher than 800 µL/L.  Conclusion: The antifungal activity of T. vulgaris essential oil could be probably due to the high concentration of oxygenated monoterpenes (thymol and monoterpene hydrocarbons (ρ-cymene.

Highly porous activated carbons prepared from carbon rich Mongolian anthracite by direct NaOH activation

Energy Technology Data Exchange (ETDEWEB)

Byamba-Ochir, Narandalai [School of Chemical Engineering, Chonnam National University, 77 Yongbong-Ro, Gwangju 61186 (Korea, Republic of); Shim, Wang Geun [Department of Polymer Science and Engineering, Sunchon National University, 255 Jungang-Ro, Suncheon, Jeollanam-Do 57922 (Korea, Republic of); Balathanigaimani, M.S., E-mail: msbala@rgipt.ac.in [Department of Chemical Engineering, Rajiv Gandhi Institute of Petroleum Technology, Ratapur Chowk, Rae Bareli, 229316 Uttar Pradesh (India); Moon, Hee, E-mail: hmoon@jnu.ac.kr [School of Chemical Engineering, Chonnam National University, 77 Yongbong-Ro, Gwangju 61186 (Korea, Republic of)

2016-08-30

Highlights: • Highly porous carbon materials from Mongolian anthracite by chemical activation. • Cheaper and eco-friendly activation process has been employed. • Activated carbons with graphitic structure and energetically heterogeneous surface. • Surface hydrophobicity and porosity of the activated carbons can be controlled. - Abstract: Highly porous activated carbons (ACs) were prepared from Mongolian raw anthracite (MRA) using sodium hydroxide as an activation agent by varying the mass ratio (powdered MRA/NaOH) as well as the mixing method of chemical agent and powdered MRA. The specific BET surface area and total pore volume of the prepared MRA-based activated carbons (MACs) are in the range of 816–2063 m{sup 2}/g and of 0.55–1.61 cm{sup 3}/g, respectively. The pore size distribution of MACs show that most of the pores are in the range from large micropores to small mesopores and their distribution can be controlled by the mass ratio and mixing method of the activating agent. As expected from the intrinsic property of the MRA, the highly graphitic surface morphology of prepared carbons was confirmed from Raman spectra and transmission electron microscopy (TEM) studies. Furthermore the FTIR and XPS results reveal that the preparation of MACs with hydrophobic in nature is highly possible by controlling the mixing conditions of activating agent and powdered MRA. Based on all the results, it is suggested that the prepared MACs could be used for many specific applications, requiring high surface area, optimal pore size distribution, proper surface hydrophobicity as well as strong physical strength.

Adsorption studies of methylene blue and phenol onto vetiver roots activated carbon prepared by chemical activation.

Science.gov (United States)

Altenor, Sandro; Carene, Betty; Emmanuel, Evens; Lambert, Jacques; Ehrhardt, Jean-Jacques; Gaspard, Sarra

2009-06-15

Vetiver roots have been utilized for the preparation of activated carbon (AC) by chemical activation with different impregnation ratios of phosphoric acid, X(P) (gH(3)PO(4)/g precursor): 0.5:1; 1:1 and 1.5:1. Textural characterization, determined by nitrogen adsorption at 77K shows that mixed microporous and mesoporous structures activated carbons (ACs) with high surface area (>1000 m(2)/g) and high pore volume (up to 1.19 cm(3)/g) can be obtained. The surface chemical properties of these ACs were investigated by X-ray photoelectron spectroscopy (XPS) and Boehm titration. Their textural and chemical characteristics were compared to those of an AC sample obtained by steam activation of vetiver roots. Classical molecules used for characterizing liquid phase adsorption, phenol and methylene blue (MB), were used. Adsorption kinetics of MB and phenol have been studied using commonly used kinetic models, i.e., the pseudo-first-order model, the pseudo-second-order model, the intraparticle diffusion model and as well the fractal, BWS (Brouers, Weron and Sotolongo) kinetic equation. The correlation coefficients (R(2)) and the normalized standard deviation Deltaq (%) were determined showing globally, that the recently derived fractal kinetic equation could best describe the adsorption kinetics for the adsorbates tested here, indicating a complex adsorption mechanism. The experimental adsorption isotherms of these molecules on the activated carbon were as well analysed using four isotherms: the classical Freundlich, Langmuir, Redlich-Peterson equations, but as well the newly published deformed Weibull Brouers-Sotolongo isotherm. The results obtained from the application of the equations show that the best fits were achieved with the Brouers-Sotolongo equation and with the Redlich-Peterson equation. Influence of surface functional groups towards MB adsorption is as well studied using various ACs prepared from vetiver roots and sugar cane bagasse. Opposite effects governing MB

Controlled assembly of organic whispering-gallery-mode microlasers as highly sensitive chemical vapor sensors.

Science.gov (United States)

Gao, Miaomiao; Wei, Cong; Lin, Xianqing; Liu, Yuan; Hu, Fengqin; Zhao, Yong Sheng

2017-03-09

We demonstrate the fabrication of organic high Q active whispering-gallery-mode (WGM) resonators from π-conjugated polymer by a controlled emulsion-solvent-evaporation method, which can simultaneously provide optical gain and act as an effective resonant cavity. By measuring the shift of their lasing modes on exposure to organic vapor, we successfully monitored the slight concentration variation in the chemical gas. These microlaser sensors demonstrated high detection sensitivity and good signal repeatability under continuous chemical gas treatments. The results offer an effective strategy to design miniaturized optical sensors.

The use of simultaneous chemical precipitation in modified activated ...

African Journals Online (AJOL)

The use of simultaneous chemical precipitation in modified activated sludge systems exhibiting biological excess phosphate removal: Part 6: Modelling of simultaneous chemical-biological P removal - review of existing models.

Service activities of chemical analysis division

International Nuclear Information System (INIS)

Eom, Tae Yoon; Suh, Moo Yul; Park, Kyoung Kyun; Jung, Ki Suk; Joe, Kih Soo; Jee, Kwang Yong; Jung, Woo Sik; Sohn, Se Chul; Yeo, In Heong; Han, Sun Ho

1988-12-01

Progress of the Division during the year of 1988 was described on the service activities for various R and D projects carrying out in the Institute, for the fuel fabrication and conversion plant, and for the post-irradiation examination facility. Relevant analytical methodologies developed for the chemical analysis of an irradiated fuel, safeguards chemical analysis, and pool water monitoring were included such as chromatographic separation of lanthanides, polarographic determination of dissolved oxygen in water, and automation on potentiometric titration of uranium. Some of the laboratory manuals revised were also included in this progress report. (Author)

Process safety management for highly hazardous chemicals

Energy Technology Data Exchange (ETDEWEB)

NONE

1996-02-01

Purpose of this document is to assist US DOE contractors who work with threshold quantities of highly hazardous chemicals (HHCs), flammable liquids or gases, or explosives in successfully implementing the requirements of OSHA Rule for Process Safety Management of Highly Hazardous Chemicals (29 CFR 1910.119). Purpose of this rule is to prevent releases of HHCs that have the potential to cause catastrophic fires, explosions, or toxic exposures.

Early high-Tc commercial activity

International Nuclear Information System (INIS)

Anon.

1988-01-01

The high temperature superconductors have already begun to generate the first stirrings of commercial activity. Companies that supply instruments and chemicals to researchers have enjoyed increased business. At least one company has begun to supply educational materials. Venture capital firms have invested about $15 million in startups to capitalize on developments in high-field applications, superconducting electronics, and magnetic shielding. Consulting firms are gathering and selling market research information. And the federal government is studying the question of how to cooperate with American companies to commercialize the research taking place in the national laboratories. This article discusses these issues

76 FR 1067 - Testing of Certain High Production Volume Chemicals; Second Group of Chemicals

Science.gov (United States)

2011-01-07

... Mfg & NOES (number based criteria based criteria significant chemicals (lbs) industrial of workers... 2070-AD16 Testing of Certain High Production Volume Chemicals; Second Group of Chemicals AGENCY... section 4(a)(1)(B) of the Toxic Substances Control Act (TSCA) to require manufacturers, importers, and...

Chemical Profile and Antioxidant, Anti-Inflammatory, Antimutagenic and Antimicrobial Activities of Geopropolis from the Stingless Bee Melipona orbignyi

Science.gov (United States)

dos Santos, Helder Freitas; Campos, Jaqueline Ferreira; dos Santos, Cintia Miranda; Balestieri, José Benedito Perrella; Silva, Denise Brentan; Carollo, Carlos Alexandre; de Picoli Souza, Kely; Estevinho, Leticia Miranda; dos Santos, Edson Lucas

2017-01-01

Geopropolis is a resin mixed with mud, produced only by stingless bees. Despite being popularly known for its medicinal properties, few scientific studies have proven its biological activities. In this context, the objective of this study was to determine the chemical composition and antioxidant, anti-inflammatory, antimutagenic and antimicrobial activities of the Melipona orbignyi geopropolis. The hydroalcoholic extract of geopropolis (HEGP) was prepared and its chemical composition determined by high performance liquid chromatography coupled to diode array detector and mass spectrometry (HPLC-DAD-MS). The antioxidant activity was determined by the capture of free radicals and inhibition of lipid peroxidation in human erythrocytes. The anti-inflammatory activity was evaluated by the inhibition of the hyaluronidase enzyme and the antimutagenic action was investigated in Saccharomyces cerevisiae colonies. The antimicrobial activities were determined against bacteria and yeasts, isolated from reference strains and hospital origin. The chemical composition of HEGP included flavonoids, derivatives of glycosylated phenolic acids and terpenoids. HEGP showed high antioxidant activity, it inhibited the activity of the inflammatory enzyme hyaluronidase and reduced the mutagenic effects in S. cerevisiae. In relation to the antimicrobial activity, it promoted the death of all microorganisms evaluated. In conclusion, this study reveals for the first time the chemical composition of the HEGP of M. orbignyi and demonstrates its pharmacological properties. PMID:28467350

Chemical signal activation of an organocatalyst enables control over soft material formation.

Science.gov (United States)

Trausel, Fanny; Maity, Chandan; Poolman, Jos M; Kouwenberg, D S J; Versluis, Frank; van Esch, Jan H; Eelkema, Rienk

2017-10-12

Cells can react to their environment by changing the activity of enzymes in response to specific chemical signals. Artificial catalysts capable of being activated by chemical signals are rare, but of interest for creating autonomously responsive materials. We present an organocatalyst that is activated by a chemical signal, enabling temporal control over reaction rates and the formation of materials. Using self-immolative chemistry, we design a deactivated aniline organocatalyst that is activated by the chemical signal hydrogen peroxide and catalyses hydrazone formation. Upon activation of the catalyst, the rate of hydrazone formation increases 10-fold almost instantly. The responsive organocatalyst enables temporal control over the formation of gels featuring hydrazone bonds. The generic design should enable the use of a large range of triggers and organocatalysts, and appears a promising method for the introduction of signal response in materials, constituting a first step towards achieving communication between artificial chemical systems.Enzymes regulated by chemical signals are common in biology, but few such artificial catalysts exist. Here, the authors design an aniline catalyst that, when activated by a chemical trigger, catalyses formation of hydrazone-based gels, demonstrating signal response in a soft material.

Inorganic chemically active adsorbents (ICAAs)

Energy Technology Data Exchange (ETDEWEB)

Ally, M.R. [Oak Ridge National Lab., TN (United States); Tavlarides, L.

1997-10-01

Oak Ridge National Laboratory (ORNL) researchers are developing a technology that combines metal chelation extraction technology and synthesis chemistry. They begin with a ceramic substrate such as alumina, titanium oxide or silica gel because they provide high surface area, high mechanical strength, and radiolytic stability. One preparation method involves silylation to hydrophobize the surface, followed by chemisorption of a suitable chelation agent using vapor deposition. Another route attaches newly designed chelating agents through covalent bonding by the use of coupling agents. These approaches provide stable and selective, inorganic chemically active adsorbents (ICAAs) tailored for removal of metals. The technology has the following advantages over ion exchange: (1) higher mechanical strength, (2) higher resistance to radiation fields, (3) higher selectivity for the desired metal ion, (4) no cation exchange, (5) reduced or no interference from accompanying anions, (6) faster kinetics, and (7) easy and selective regeneration. Target waste streams include metal-containing groundwater/process wastewater at ORNL`s Y-12 Plant (multiple metals), Savannah River Site (SRS), Rocky Flats (multiple metals), and Hanford; aqueous mixed wastes at Idaho National Engineering Laboratory (INEL); and scrubber water generated at SRS and INEL. Focus Areas that will benefit from this research include Mixed Waste, and Subsurface Contaminants.

High-performance super capacitors based on activated anthracite with controlled porosity

Science.gov (United States)

Lee, Hyun-Chul; Byamba-Ochir, Narandalai; Shim, Wang-Geun; Balathanigaimani, M. S.; Moon, Hee

2015-02-01

Mongolian anthracite is chemically activated using potassium hydroxide as an activation agent to make activated carbon materials. Prior to the chemical activation, the chemical agent is introduced by two different methods as follows, (1) simple physical mixing, (2) impregnation. The physical properties such as specific surface area, pore volume, pore size distribution, and adsorption energy distribution are measured to assess them as carbon electrode materials for electric double-layer capacitors (EDLC). The surface functional groups and morphology are also characterized by X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy (TEM) analyses respectively. The electrochemical results for the activated carbon electrodes in 3 M sulfuric acid electrolyte solution indicate that the activated Mongolian anthracite has relatively large specific capacitances in the range of 120-238 F g-1 and very high electrochemical stability, as they keep more than 98% of initial capacitances until 1000 charge/discharge cycles.

Activities of the Institute of Chemical Processing of Coal at Zabrze

Energy Technology Data Exchange (ETDEWEB)

Dreszer, K.

1995-12-31

The Institute of Chemical Processing of Coal at Zabrze was established in 1955. The works on carbochemical technologies have been, therefore, carried out at the Institute for 40 years. The targets of the Institute`s activities are research, scientific and developing works regarding a sensible utilization of fuels via their processing into more refined forms, safe environment, highly efficient use of energy carriers and technological products of special quality. The Institute of Chemical Processing of Coal has been dealing with the following: optimized use of home hard coals; improvement of classic coal coking technologies, processing and utilization of volatile coking products; production technologies of low emission rate fuels for communal management; analyses of coal processing technologies; new technologies aimed at increasing the efficiency of coal utilization for energy-generating purposes, especially in industry and studies on the ecological aspects of these processes; production technologies of sorbents and carbon activating agents and technologies of the utilization; rationalization of water and wastes management in the metallurgical and chemical industries in connection with removal of pollution especially dangerous to the environment from wastes; utilization technologies of refined materials (electrode cokes, binders, impregnating agents) for making electrodes, refractories and new generation construction carbon materials; production technologies of high quality bituminous and bituminous and resin coating, anti-corrosive and insulation materials; environmentally friendly utilization technologies for power station, mine and other wastes, and dedusting processes in industrial gas streams.

Adsorption and Pore of Physical-Chemical Activated Coconut Shell Charcoal Carbon

Science.gov (United States)

Budi, E.; Umiatin, U.; Nasbey, H.; Bintoro, R. A.; Wulandari, Fi; Erlina, E.

2018-04-01

The adsorption of activated carbon of coconut shell charcoal on heavy metals (Cu and Fe) of the wastewater and its relation with the carbon pore structure was investigated. The coconut shell was pyrolized in kiln at temperature about 75 - 150 °C for about 6 hours to produce charcoal and then shieved into milimeter sized granule particles. Chemical activation was done by immersing the charcoal into chemical solution of KOH, NaOH, HCl and H3PO4, with various concentration. The activation was followed by physical activation using horizontal furnace at 400°C for 1 hours in argon gas environment with flow rate of 200 kg/m3. The surface morphology of activated carbon were characterized by using Scanning Electron Microscopy (SEM). Wastewater was made by dissolving CuSO4.5H2O and FeSO4.7H2O into aquades. The metal adsorption was analized by using Atomic Absorption Spectroscopy (AAS). The result shows that in general, the increase of chemical concentration cause the increase of pore number of activated carbon due to an excessive chemical attack and lead the increase of adsorption. However it tend to decrease as further increasing in chemical activator concentration due to carbon collapsing. In general, the adsorption of Cu and Fe metal from wastewater by activated carbon increased as the activator concentration was increased.

Co-conditioning and dewatering of chemical sludge and waste activated sludge.

Science.gov (United States)

Chang, G R; Liu, J C; Lee, D J

2001-03-01

The conditioning and dewatering behaviors of chemical and waste activated sludges from a tannery were studied. Capillary suction time (CST), specific resistance to filtration (SRF), and bound water content were used to evaluate the sludge dewatering behaviors. Zeta potentials were also measured. Experiments were conducted on each sludge conditioned and dewatered separately, and on the sludge mixed at various ratios. Results indicate that the chemical sludge was relatively difficult to be dewatered, even in the presence of polyelectrolyte. When the waste activated sludge was mixed with the chemical sludge at ratios of 1:1 and 2:1, respectively, the dewaterability of chemical sludge improved remarkably while the relatively better dewaterability of the waste activated sludge deteriorated only to a limited extent. As the mixing ratios became 4:1 and 8:1, the dewaterability of the mixed sludge was equal to that of the waste activated sludge. The optimal polyelectrolyte dosage for the mixed sludge was equal to or less than that of the waste activated sludge. It is proposed that the chemical sludges act as skeleton builders that reduce the compressibility of the mixed sludge whose dewaterability is enhanced. Bound water contents of sludge decreased at low polyelectrolyte dosage and were not significantly affected as polyelectrolyte dosage increased. Advantages and disadvantages of co-conditioning and dewatering chemical sludge and waste activated sludge were discussed.

Antimicrobial activity of Algerian propolis in foodborne pathogens and its quantitative chemical composition

Directory of Open Access Journals (Sweden)

Neila Nedji

2014-12-01

Full Text Available Objective: To evaluate the antimicrobial activity of propolis samples collected from different regions of Algeria and their chemical composition. Methods: The antibacterial activity of ethanolic extract of Algerian propolis against Bacillus cereus (IPA, Staphylococcus aureus (ATCC25923R, Escherichia coli (ATCC25922 and Pseudomonas aeruginosa (ATCC27893R was evaluated by the disc diffusion method and determined as an equivalent of the inhibition zones diameters after incubation of the cultures at 37 °C for 24 h. The investigation of the polyphenol and flavonoid contents was done spectrophotometrically. Results: The ethanolic extract of Algerian propolis samples inhibited the growth of all examined microorganisms with the highest antimicrobial activity against the Gram-positive bacteria. Polyphenol and flavonoids contents were variable, depending on the propolis samples and a positive correlation between antimicrobial activity and chemical composition was observed. Conclusions: Antimicrobial activity, polyphenol and flavonoid contents were variable, depending on the propolis sample. The strong antimicrobial activity of Algerian propolis may be due to high total phenolic and flavonoid contents and this study suggests potential use of propolis in foods.

Quantitative genetic activity graphical profiles for use in chemical evaluation

Energy Technology Data Exchange (ETDEWEB)

Waters, M.D. [Environmental Protection Agency, Washington, DC (United States); Stack, H.F.; Garrett, N.E.; Jackson, M.A. [Environmental Health Research and Testing, Inc., Research Triangle Park, NC (United States)

1990-12-31

A graphic approach, terms a Genetic Activity Profile (GAP), was developed to display a matrix of data on the genetic and related effects of selected chemical agents. The profiles provide a visual overview of the quantitative (doses) and qualitative (test results) data for each chemical. Either the lowest effective dose or highest ineffective dose is recorded for each agent and bioassay. Up to 200 different test systems are represented across the GAP. Bioassay systems are organized according to the phylogeny of the test organisms and the end points of genetic activity. The methodology for producing and evaluating genetic activity profile was developed in collaboration with the International Agency for Research on Cancer (IARC). Data on individual chemicals were compiles by IARC and by the US Environmental Protection Agency (EPA). Data are available on 343 compounds selected from volumes 1-53 of the IARC Monographs and on 115 compounds identified as Superfund Priority Substances. Software to display the GAPs on an IBM-compatible personal computer is available from the authors. Structurally similar compounds frequently display qualitatively and quantitatively similar profiles of genetic activity. Through examination of the patterns of GAPs of pairs and groups of chemicals, it is possible to make more informed decisions regarding the selection of test batteries to be used in evaluation of chemical analogs. GAPs provided useful data for development of weight-of-evidence hazard ranking schemes. Also, some knowledge of the potential genetic activity of complex environmental mixtures may be gained from an assessment of the genetic activity profiles of component chemicals. The fundamental techniques and computer programs devised for the GAP database may be used to develop similar databases in other disciplines. 36 refs., 2 figs.

Antimicrobial activity of chemically modified dextran derivatives.

Science.gov (United States)

Tuchilus, Cristina G; Nichifor, Marieta; Mocanu, Georgeta; Stanciu, Magdalena C

2017-04-01

Cationic amphiphilic dextran derivatives with a long alkyl group attached to the reductive end of the polysaccharide chain and quaternary ammonium groups attached as pendent groups to the main dextran backbone were synthesized and tested for their antimicrobial properties against several bacteria and fungi strains. Dependence of antimicrobial activity on both polymer chemical composition (dextran molar mass, length of end alkyl group and chemical structure of ammonium groups) and type of microbes was highlighted by disc-diffusion method (diameter of inhibition zone) and broth microdilution method (minimum inhibitory concentrations). Polymers had antimicrobial activity for all strains studied, except for Pseudomonas aeruginosa ATCC 27853. The best activity against Staphylococcus aureus (Minimun Inhibitory Concentration 60μg/mL) was provided by polymers obtained from dextran with lower molecular mass (Mn=4500), C 12 H 25 or C 18 H 37 end groups, and N,N-dimethyl-N-benzylammonium pendent groups. Copyright © 2017 Elsevier Ltd. All rights reserved.

Chloride Ingress in Chemically Activated Calcined Clay-Based Cement

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Joseph Mwiti Marangu

2018-01-01

Full Text Available Chloride-laden environments pose serious durability concerns in cement based materials. This paper presents the findings of chloride ingress in chemically activated calcined Clay-Ordinary Portland Cement blended mortars. Results are also presented for compressive strength development and porosity tests. Sampled clays were incinerated at a temperature of 800°C for 4 hours. The resultant calcined clay was blended with Ordinary Portland Cement (OPC at replacement level of 35% by mass of OPC to make test cement labeled PCC35. Mortar prisms measuring 40 mm × 40 mm × 160 mm were cast using PCC35 with 0.5 M Na2SO4 solution as a chemical activator instead of water. Compressive strength was determined at 28th day of curing. As a control, OPC, Portland Pozzolana Cement (PPC, and PCC35 were similarly investigated without use of activator. After the 28th day of curing, mortar specimens were subjected to accelerated chloride ingress, porosity, compressive strength tests, and chloride profiling. Subsequently, apparent diffusion coefficients (Dapp were estimated from solutions to Fick’s second law of diffusion. Compressive strength increased after exposure to the chloride rich media in all cement categories. Chemically activated PCC35 exhibited higher compressive strength compared to nonactivated PCC35. However, chemically activated PCC35 had the least gain in compressive strength, lower porosity, and lower chloride ingress in terms of Dapp, compared to OPC, PPC, and nonactivated PCC35.

High-surface-area active carbon

International Nuclear Information System (INIS)

O'Grady, T.M.; Wennerberg, A.N.

1986-01-01

This paper describes the preparation and properties of a unique active carbon having exceptionally high surface areas, over 2500 m 2 /gm, and extraordinary adsorptive capacities. The carbon is made by a direct chemical activation route in which petroleum coke or other carbonaceous sources are reacted with excess potassium hydroxide at 400 0 to 500 0 C to an intermediate product that is subsequently pyrolyzed at 800 0 to 900 0 C to active carbon containing potassium salts. These are removed by water washing and the carbon is dried to produce a powdered product. A granular carbon can also be made by further processing the powdered carbon by using specialized granulation techniques. Typical properties of the carbon include Iodine Numbers of 3000 to 3600, methylene blue adsorption of 650 to 750 mg/gm, pore volumes of 2.0 to 2.6 cc/gm and less than 3.0% ash. This carbon's high adsorption capacities make it uniquely suited for numerous demanding applications in the medical area, purifications, removal of toxic substances, as catalyst carriers, etc

Optimization of chemical regeneration procedures of spent activated carbon

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Naser Ghasemzadeh

2017-01-01

Full Text Available The chemical regeneration of granular activated carbon exhausted in a petrochemical wastewater unit was investigated. Gas chromatography and energy-dispersive X-ray spectroscopy demonstrated that spent activated carbon carries large types of organic and inorganic materials. Diverse chemical solvents were adopted in comparison with traditional chemical solvents and regeneration efficiency was investigated for each approach. The optimum procedure and optimum condition including temperature, concentration of solvent, and time were determined. The regenerated activated carbon was used in the adsorption of methylene blue (MB in order to find its regeneration efficiency. The regeneration efficiency can be identified by comparing of amount of MB absorbed by the fresh and regenerated activated carbon. The best acidic regenerator was hydrofluoric acid. The higher the temperature causes the faster desorption rate and consequently, the higher regeneration efficiency. The regeneration efficiency increased by means of an increase in the time of regeneration and solvent concentration, but there was an optimum time and solvent concentration for regeneration. The optimum temperature, solvent concentration and regeneration time obtained was 80 ⁰C, 3 molar and 3 hours, respectively.

Chemical analysis of Greek pollen - Antioxidant, antimicrobial and proteasome activation properties

Directory of Open Access Journals (Sweden)

Gonos Efstathios

2011-06-01

Full Text Available Abstract Background Pollen is a bee-product known for its medical properties from ancient times. In our days is increasingly used as health food supplement and especially as a tonic primarily with appeal to the elderly to ameliorate the effects of ageing. In order to evaluate the chemical composition and the biological activity of Greek pollen which has never been studied before, one sample with identified botanical origin from sixteen different common plant taxa of Greece has been evaluated. Results Three different extracts of the studied sample of Greek pollen, have been tested, in whether could induce proteasome activities in human fibroblasts. The water extract was found to induce a highly proteasome activity, showing interesting antioxidant properties. Due to this activity the aqueous extract was further subjected to chemical analysis and seven flavonoids have been isolated and identified by modern spectral means. From the methanolic extract, sugars, lipid acids, phenolic acids and their esters have been also identified, which mainly participate to the biosynthetic pathway of pollen phenolics. The total phenolics were estimated with the Folin-Ciocalteau reagent and the total antioxidant activity was determined by the DPPH method while the extracts and the isolated compounds were also tested for their antimicrobial activity by the dilution technique. Conclusions The Greek pollen is rich in flavonoids and phenolic acids which indicate the observed free radical scavenging activity, the effects of pollen on human fibroblasts and the interesting antimicrobial profile.

Predictive performance of the human Cell Line Activation Test (h-CLAT) for lipophilic chemicals with high octanol-water partition coefficients.

Science.gov (United States)

Takenouchi, Osamu; Miyazawa, Masaaki; Saito, Kazutoshi; Ashikaga, Takao; Sakaguchi, Hitoshi

2013-01-01

To meet the urgent need for a reliable alternative test for predicting skin sensitizing potential of many chemicals, we have developed a cell-based in vitro test, human Cell Line Activation Test (h-CLAT). However, the predictive performance for lipophilic chemicals in the h-CLAT still remains relatively unknown. Moreover, it's suggested that low water solubility of chemicals might induce false negative outcomes. Thus, in this study, we tested relatively low water soluble 37 chemicals with log Kow values above and below 3.5 in the h-CLAT. The small-scale assessment resulted in nine false negative outcomes for chemicals with log Kow values greater than 3.5. We then created a dataset of 143 chemicals by combining the existing dataset of 106 chemicals and examined the predictive performance of the h-CLAT for chemicals with a log Kow of less than 3.5; a total of 112 chemicals from the 143 chemicals in the dataset. The sensitivity and overall accuracy for the 143 chemicals were 83% and 80%, respectively. In contrast, sensitivity and overall accuracy for the 112 chemicals with log Kow values below 3.5 improved to 94% and 88%, respectively. These data suggested that the h-CLAT could successfully detect sensitizers with log Kow values up to 3.5. When chemicals with log Kow values greater than 3.5 that were deemed positive by h-CLAT were included with the 112 chemicals, the sensitivity and accuracy in terms of the resulting applicable 128 chemicals out of the 143 chemicals became 95% and 88%, respectively. The use of log Kow values gave the h-CLAT a higher predictive performance. Our results demonstrated that the h-CLAT could predict sensitizing potential of various chemicals, which contain lipophilic chemicals using a large-scale chemical dataset.

MORPHO-CHEMICAL DESCRIPTION AND ANTIMICROBIAL ACTIVITY OF DIFFERENT OCIMUM SPECIES

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KAKARAPARTHI PANDU SASTRY

2012-12-01

Full Text Available Basil is a popular medicinal and culinary herb, and its essential oils have been used extensively for many years in food products, perfumery, dental and oral products. Basil essential oils and their principal constituents were found to exhibit antimicrobial activity against a wide range of Gram-negative and Gram-positive bacteria, yeast, and mould. The essential oils obtained from aerial parts of three different species of Ocimum comprising twenty one germplasm lines were investigated for their essential oil composition and antimicrobial activity during 2010. Essential oils from seventeen germplasm lines in Ocimum basilicum and two each in Ocimum tenuiflorum and Ocimum gratissimum were investigated for anti-microbial activity against four bacterial strains (Staphylococcus aureus, Bacillus sps., Escherichia coli and Pseudomonas aeruginosa. The morpho-chemotypes exhibited wide variability for morphological and chemical traits. Anti-bacterial activity was found to be high for Staphylococcus aureus, moderate for Escherichia coli, low for Bacillus and Pseudomonas aeruginosa was highly resistant. The essential oils of Pale Green-Broad Leaves (O. basilicum and CIM Ayu (O. gratissimum exhibited significant antibacterial activity against both S. aureus and E. coli signifying them promising for anti-bacterial activity. No relationship was observed between chemotype specificity and anti-bacterial activity, indicating that apart from major components of essential oil, minor components and other factors may be responsible for anti-microbial activities.

Chemically activated graphene/porous Si@SiO{sub x} composite as anode for lithium ion batteries

Energy Technology Data Exchange (ETDEWEB)

Tao, Hua-Chao [College of Materials and Chemical Engineering, China Three Gorges University, 8 Daxue Road, Yichang, Hubei 443002 (China); Collaborative Innovation Center for Microgrid of New Energy, Hubei Province (China); Yang, Xue-Lin, E-mail: xlyang@ctgu.edu.cn [College of Materials and Chemical Engineering, China Three Gorges University, 8 Daxue Road, Yichang, Hubei 443002 (China); Collaborative Innovation Center for Microgrid of New Energy, Hubei Province (China); Zhang, Lu-Lu; Ni, Shi-Bing [College of Materials and Chemical Engineering, China Three Gorges University, 8 Daxue Road, Yichang, Hubei 443002 (China); Collaborative Innovation Center for Microgrid of New Energy, Hubei Province (China)

2014-10-15

Chemically activated graphene/porous Si@SiO{sub x} (CAG/Si@SiO{sub x}) composite has been synthesized via magnesiothemic reduction of mesoporous SiO{sub 2} (MCM-48) to porous Si@SiO{sub x} and dispersing in the suspension of chemically activated graphene oxide (CAGO) followed by thermal reduction. The porous Si@SiO{sub x} particles are well encapsulated in chemically activated graphene (CAG) matrix. The resulting CAG/Si@SiO{sub x} composite exhibits a high reversible capacity and excellent cycling stability up to 763 mAh g{sup −1} at a current density of 100 mA g{sup −1} after 50 cycles. The porous structure of CAG layer and Si@SiO{sub x} is beneficial to accommodate volume expansion of Si during discharge and charge process and the interconnected CAG improves the electronic conductivity of composite. - Highlights: • Chemically activated graphene encapsulated porous Si composite was prepared. • The graphene offers a continuous electrically conductive network. • The porous structure can accommodate volume expansion of Si-based materials. • The composite exhibits excellent lithium storage performance.

Wound Healing Activity and Chemical Standardization of Eugenia pruniformis Cambess

Science.gov (United States)

de Albuquerque, Ricardo Diego Duarte Galhardo; Perini, Jamila Alessandra; Machado, Daniel Escorsim; Angeli-Gamba, Thaís; Esteves, Ricardo dos Santos; Santos, Marcelo Guerra; Oliveira, Adriana Passos; Rocha, Leandro

2016-01-01

. Chemical standardization of the active wound healing extract was done. The total flavonoid content was 43% (w/w) and quercetin, kaempferol and hyperoside were identified as main compounds. SUMMARY Wound excision model in rats showed the potential wound healing activity of E. pruniformis by collagen deposition increase, higher levels of hidroxyproline, better tissue reorganization and complete remodeling of epidermis.Flavonoids are the main compounds of the endemic E. pruniformis and quercetin, kaempferol and hyperoside were identified in ethyl acetate extract by TLC, HPLC-PDA and HRESI-MS analysis.The ethyl acetate extract of E. pruniformis showed a potent antioxidant activity by ORAC and DPPH assays Abbreviation used: NC: Negative control, PC: Positive control, CH: Crude hydroethanolic extract, EA: Ethyl acetate extract, TE: Trolox equivalent, mg: Milligram, mM: Millimolar, mL: Milliliter, HPLC-PDA: High performance liquid chromatography with a photodiode array detector, HRESI-MS: High-resolution electrospray ionization mass spectrometry analysis, TLC: Thin layer chromatography, ORAC: Oxygen radical absorbance capacity, w/v: Weight per volume PMID:27867271

Pereskia aculeata Muller (Cactaceae Leaves: Chemical Composition and Biological Activities

Directory of Open Access Journals (Sweden)

Lucèia Fàtima Souza

2016-09-01

Full Text Available The aims of this work were to study the chemical composition of the essential oil from the leaves of Pereskia aculeata and to evaluate some biological activities of three leaf extracts. The phenolic content, antioxidant activity, and in vitro antimicrobial and antifungal activities were determined. The methanol extract showed antioxidant activity (EC50 7.09 mg/mL and high polyphenols content (15.04 ± 0.31 mg gallic acid equivalents (GAE/g. The petroleum ether extract exhibited potent antibacterial activity against Escherichia coli, whereas the chloroform extract showed inhibitory activity against Bacillus cereus and Staphylococcus aureus. The petroleum ether and methanol extracts were more effective in inhibiting the growth of Aspergillus versicolor. The possible cytotoxicity of extracts on neuroblastoma SH-SY5Y cancer cell line and the influence on adenylate cyclase (ADCY expression was also studied. P. aculeata chloroform extract showed antiproliferative activity with an IC50 value of 262.83 µg/mL. Treatments of SH-SY5Y neuroblastoma cells with 100 µg/mL of methanol extract significantly reduced ADCY1 expression.

Pereskia aculeata Muller (Cactaceae) Leaves: Chemical Composition and Biological Activities.

Science.gov (United States)

Souza, Lucèia Fàtima; Caputo, Lucia; Inchausti De Barros, Ingrid Bergman; Fratianni, Florinda; Nazzaro, Filomena; De Feo, Vincenzo

2016-09-03

The aims of this work were to study the chemical composition of the essential oil from the leaves of Pereskia aculeata and to evaluate some biological activities of three leaf extracts. The phenolic content, antioxidant activity, and in vitro antimicrobial and antifungal activities were determined. The methanol extract showed antioxidant activity (EC50 7.09 mg/mL) and high polyphenols content (15.04 ± 0.31 mg gallic acid equivalents (GAE)/g). The petroleum ether extract exhibited potent antibacterial activity against Escherichia coli, whereas the chloroform extract showed inhibitory activity against Bacillus cereus and Staphylococcus aureus. The petroleum ether and methanol extracts were more effective in inhibiting the growth of Aspergillus versicolor. The possible cytotoxicity of extracts on neuroblastoma SH-SY5Y cancer cell line and the influence on adenylate cyclase (ADCY) expression was also studied. P. aculeata chloroform extract showed antiproliferative activity with an IC50 value of 262.83 µg/mL. Treatments of SH-SY5Y neuroblastoma cells with 100 µg/mL of methanol extract significantly reduced ADCY1 expression.

Chemical composition and antibacterial activity of Opuntia ficus-indica f. inermis (cactus pear) flowers.

Science.gov (United States)

Ennouri, Monia; Ammar, Imene; Khemakhem, Bassem; Attia, Hamadi

2014-08-01

Opuntia ficus-indica f. inermis (cactus pear) flowers have wide application in folk medicine. However, there are few reports focusing on their biological activity and were no reports on their chemical composition. The nutrient composition and hexane extracts of Opuntia flowers at 4 flowering stages and their antibacterial and antifungal activities were investigated. The chemical composition showed considerable amounts of fiber, protein, and minerals. Potassium (K) was the predominant mineral followed by calcium (Ca), magnesium (Mg), sodium (Na), iron (Fe), and zinc (Zn). The main compounds in the various hexane extracts were 9.12-octadecadienoic acid (29-44%) and hexadecanoic acid (8.6-32%). The antibacterial activity tests showed that O. inermis hexane extracts have high effectiveness against Escherichia coli and Staphylococcus aureus, making this botanical source a potential contender as a food preservative or food control additive.

High-throughput screening of chemicals as functional ...

Science.gov (United States)

Identifying chemicals that provide a specific function within a product, yet have minimal impact on the human body or environment, is the goal of most formulation chemists and engineers practicing green chemistry. We present a methodology to identify potential chemical functional substitutes from large libraries of chemicals using machine learning based models. We collect and analyze publicly available information on the function of chemicals in consumer products or industrial processes to identify a suite of harmonized function categories suitable for modeling. We use structural and physicochemical descriptors for these chemicals to build 41 quantitative structure–use relationship (QSUR) models for harmonized function categories using random forest classification. We apply these models to screen a library of nearly 6400 chemicals with available structure information for potential functional substitutes. Using our Functional Use database (FUse), we could identify uses for 3121 chemicals; 4412 predicted functional uses had a probability of 80% or greater. We demonstrate the potential application of the models to high-throughput (HT) screening for “candidate alternatives” by merging the valid functional substitute classifications with hazard metrics developed from HT screening assays for bioactivity. A descriptor set could be obtained for 6356 Tox21 chemicals that have undergone a battery of HT in vitro bioactivity screening assays. By applying QSURs, we wer

rhoCentralRfFoam: An OpenFOAM solver for high speed chemically active flows - Simulation of planar detonations -

Science.gov (United States)

Gutiérrez Marcantoni, L. F.; Tamagno, J.; Elaskar, S.

2017-10-01

A new solver developed within the framework of OpenFOAM 2.3.0, called rhoCentralRfFoam which can be interpreted like an evolution of rhoCentralFoam, is presented. Its use, performing numerical simulations on initiation and propagation of planar detonation waves in combustible mixtures H2-Air and H2-O2-Ar, is described. Unsteady one dimensional (1D) Euler equations coupled with sources to take into account chemical activity, are numerically solved using the Kurganov, Noelle and Petrova second order scheme in a domain discretized with finite volumes. The computational code can work with any number of species and its corresponding reactions, but here it was tested with 13 chemically active species (one species inert), and 33 elementary reactions. A gaseous igniter which acts like a shock-tube driver, and powerful enough to generate a strong shock capable of triggering exothermic chemical reactions in fuel mixtures, is used to start planar detonations. The following main aspects of planar detonations are here, treated: induction time of combustible mixtures cited above and required mesh resolutions; convergence of overdriven detonations to Chapman-Jouguet states; detonation structure (ZND model); and the use of reflected shocks to determine induction times experimentally. The rhoCentralRfFoam code was verified comparing numerical results and it was validated, through analytical results and experimental data.

A modified parallel artificial membrane permeability assay for evaluating the bioconcentration of highly hydrophobic chemicals in fish.

Science.gov (United States)

Kwon, Jung-Hwan; Escher, Beate I

2008-03-01

Low cost in vitro tools are needed at the screening stage of assessment of bioaccumulation potential of new and existing chemicals because the number of chemical substances that needs to be tested highly exceeds the capacity of in vivo bioconcentration tests. Thus, the parallel artificial membrane permeability assay (PAMPA) system was modified to predict passive uptake/ elimination rate in fish. To overcome the difficulties associated with low aqueous solubility and high membrane affinity of highly hydrophobic chemicals, we measured the rate of permeation from the donor poly(dimethylsiloxane)(PDMS) disk to the acceptor PDMS disk through aqueous and PDMS membrane boundary layers and term the modified PAMPA system "PDMS-PAMPA". Twenty chemicals were selected for validation of PDMS-PAMPA. The measured permeability is proportional to the passive elimination rate constant in fish and was used to predict the "minimum" in vivo elimination rate constant. The in vivo data were very close to predicted values except for a few polar chemicals and metabolically active chemicals, such as pyrene and benzo[a]pyrene. Thus, PDMS-PAMPA can be an appropriate in vitro system for nonmetabolizable chemicals. Combination with metabolic clearance rates using a battery of metabolic degradation assays would enhance the applicability for metabolizable chemicals.

An easily sintered, chemically stable, barium zirconate-based proton conductor for high-performance proton-conducting solid oxide fuel cells

KAUST Repository

Sun, Wenping

2014-07-25

Yttrium and indium co-doped barium zirconate is investigated to develop a chemically stable and sintering active proton conductor for solid oxide fuel cells (SOFCs). BaZr0.8Y0.2-xInxO3- δ possesses a pure cubic perovskite structure. The sintering activity of BaZr0.8Y0.2-xInxO3- δ increases significantly with In concentration. BaZr0.8Y0.15In0.05O3- δ (BZYI5) exhibits the highest total electrical conductivity among the sintered oxides. BZYI5 also retains high chemical stability against CO2, vapor, and reduction of H2. The good sintering activity, high conductivity, and chemical stability of BZYI5 facilitate the fabrication of durable SOFCs based on a highly conductive BZYI5 electrolyte film by cost-effective ceramic processes. Fully dense BZYI5 electrolyte film is successfully prepared on the anode substrate by a facile drop-coating technique followed by co-firing at 1400 °C for 5 h in air. The BZYI5 film exhibits one of the highest conductivity among the BaZrO3-based electrolyte films with various sintering aids. BZYI5-based single cells output very encouraging and by far the highest peak power density for BaZrO3-based proton-conducting SOFCs, reaching as high as 379 mW cm-2 at 700 °C. The results demonstrate that Y and In co-doping is an effective strategy for exploring sintering active and chemically stable BaZrO3-based proton conductors for high performance proton-conducting SOFCs. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Application of the Activity Framework for Assessing Aquatic Ecotoxicology Data for Organic Chemicals

DEFF Research Database (Denmark)

Thomas, Paul; Dawick, James; Lampi, Mark

2015-01-01

Toxicological research in the 1930s gave the first indications of the link between narcotic toxicity and the chemical activity of organic chemicals. More recently, chemical activity has been proposed as a novel exposure parameter that describes the fraction of saturation and that quantifies the p...

Exotic high activity surface patterns in PtAu nanoclusters

KAUST Repository

Mokkath, Junais Habeeb

2013-05-09

The structure and chemical ordering of PtAu nanoclusters of 79, 135, and 201 atoms are studied via a combination of a basin hopping atom-exchange technique (to locate the lowest energy homotops at fixed composition), a symmetry orbit technique (to find the high symmetry isomers), and density functional theory local reoptimization (for determining the most stable homotop). The interatomic interactions between Pt and Au are derived from the empirical Gupta potential. The lowest energy structures show a marked tendency toward PtcoreAushell chemical ordering by enrichment of the more cohesive Pt in the core region and of Au in the shell region. We observe a preferential segregation of Pt atoms to (111) facets and Au atoms to (100) facets of the truncated octahedron cluster motif. Exotic surface patterns are obtained particularly for Pt-rich compositions, where Pt atoms are being surrounded by Au atoms. These surface arrangements boost the catalytic activity by creating a large number of active sites. © 2013 American Chemical Society.

CHEMICAL COMPOSITION AND ANTIOXIDANT ACTIVITY OF APIS ...

African Journals Online (AJOL)

CHEMICAL COMPOSITION AND ANTIOXIDANT ACTIVITY OF APIS. MELLIFERA BEE POLLEN FROM NORTHWEST ALGERIA. A. Rebiai* and T.Lanez. University of El Oued, VTRS Laboratory, P.O. Box 789, 39000, El Oued, Algeria. Received: 08 November 2012 / Accepted: 23 December 2012 / Published online: 31 ...

High-throughput screening of chemical effects on ...

Science.gov (United States)

Disruption of steroidogenesis by environmental chemicals can result in altered hormone levels causing adverse reproductive and developmental effects. A high-throughput assay using H295R human adrenocortical carcinoma cells was used to evaluate the effect of 2,060 chemical samples on steroidogenesis via HPLC-MS/MS quantification of 10 steroid hormones, including progestagens, glucocorticoids, androgens, and estrogens. The study employed a three stage screening strategy. The first stage established the maximum tolerated concentration (MTC; >70% viability) per sample. The second stage quantified changes in hormone levels at the MTC while the third stage performed concentration-response (CR) on a subset of samples. At all stages, cells were pre-stimulated with 10 µM forskolin for 48 h to induce steroidogenesis followed by chemical treatment for 48 h. Of the 2,060 chemical samples evaluated, 524 samples were selected for six-point CR screening, based in part on significantly altering at least 4 hormones at the MTC. CR screening identified 232 chemical samples with concentration-dependent effects on 17β-estradiol and/or testosterone, with 411 chemical samples showing an effect on at least one hormone across the steroidogenesis pathway. Clustering of the concentration-dependent chemical-mediated steroid hormone effects grouped chemical samples into five distinct profiles generally representing putative mechanisms of action, including CYP17A1 and HSD3B inhibition. A d

Chemically synthesized metal-oxide-metal segmented nanowires with high ferroelectric response

International Nuclear Information System (INIS)

Herderick, Edward D; Padture, Nitin P; Polomoff, Nicholas A; Huey, Bryan D

2010-01-01

A chemical synthesis method is presented for the fabrication of high-definition segmented metal-oxide-metal (MOM) nanowires in two different ferroelectric oxide systems: Au-BaTiO 3 -Au and Au-PbTiO 3 -Au. This method entails electrodeposition of segmented nanowires of Au-TiO 2 -Au inside anodic aluminum oxide (AAO) templates, followed by topotactic hydrothermal conversion of the TiO 2 segments into BaTiO 3 or PbTiO 3 segments. Two-terminal devices from individual MOM nanowires are fabricated, and their ferroelectric properties are measured directly, without the aid of scanning probe microscopy (SPM) methods. The MOM nanowire architecture provides high-quality end-on electrical contacts to the oxide segments, and allows direct measurement of properties of nanoscale volume, strain-free oxide segments. Unusually high ferroelectric responses, for chemically synthesized oxides, in these MOM nanowires are reported, and are attributed to the lack of residual strain in the oxides. The ability to measure directly the active properties of nanoscale volume, strain-free oxides afforded by the MOM nanowire architecture has important implications for fundamental studies of not only ferroelectric nanostructures but also nanostructures in the emerging field of multiferroics.

High activity carbon sorbents for mercury capture

Directory of Open Access Journals (Sweden)

Stavropoulos George G.

2006-01-01

Full Text Available High efficiency activated carbons have been prepared for removing mercury from gas streams. Starting materials used were petroleum coke, lignite, charcoal and olive seed waste, and were chemically activated with KOH. Produced adsorbents were primarily characterized for their porosity by N2 adsorption at 77 K. Their mercury retention capacity was characterized based on the breakthrough curves. Compared with typical commercial carbons, they have exhibited considerably enhanced mercury adsorption capacity. An attempt has been made to correlate mercury entrapment and pore structure. It has been shown that physical surface area is increased during activation in contrast to the mercury adsorption capacity that initially increases and tends to decrease at latter stages. Desorption of active sites may be responsible for this behavior.

H + CH{sub 2}CO {yields} CH{sub 3} + CO at high temperature : a high pressure chemical activation reaction with positive barrier.

Energy Technology Data Exchange (ETDEWEB)

Hranisavljevic, J.; Kumaran, S. S.; Michael, J. V.

1997-12-08

The Laser Photolysis-Shock Tube (LP-ST) technique coupled with H-atom atomic resonance absorption spectrometry (ARAS) has been used to study reaction, H + CH{sub 2}CO {r_arrow} CH{sub 3} + CO, over the temperature range, 863-1400 K. The results can be represented by the Arrhenius expression, k = (4.85 {+-} 0.70) x 10{sup {minus}11} exp({minus}2328 {+-} 155 K/T) cm{sup 3} molecule{sup {minus}1} s{sup {minus}1}. The present data have been combined with the earlier low temperature flash photolysis-resonance fluorescence measurements to yield a joint three parameter expression, k = 5.44 x 10{sup {minus}14} T{sup 0.8513} exp({minus}1429 K/T) cm{sup 3} molecule{sup {minus}1} s{sup {minus}1}. This is a chemical activation process that proceeds through vibrationally excited acetyl radicals. However, due to the presence of a low lying forward dissociation channel to CH{sub 3} + CO, the present results refer to the high pressure limiting rate constants. Hence, transition state theory with Eckart tunneling is used to explain the data.

Measurement of natural radioactivity in chemical fertilizer and agricultural soil: evidence of high alpha activity.

Science.gov (United States)

Ghosh, Dipak; Deb, Argha; Bera, Sukumar; Sengupta, Rosalima; Patra, Kanchan Kumar

2008-02-01

People are exposed to ionizing radiation from the radionuclides that are present in different types of natural sources, of which phosphate fertilizer is one of the most important sources. Radionuclides in phosphate fertilizer belonging to 232Th and 238U series as well as radioisotope of potassium (40K) are the major contributors of outdoor terrestrial natural radiation. The study of alpha activity in fertilizers, which is the first ever in West Bengal, has been performed in order to determine the effect of the use of phosphate fertilizers on human health. The data have been compared with the alpha activity of different types of chemical fertilizers. The measurement of alpha activity in surface soil samples collected from the cultivated land was also performed. The sampling sites were randomly selected in the cultivated land in the Midnapore district, which is the largest district in West Bengal. The phosphate fertilizer is widely used for large agricultural production, mainly potatoes. The alpha activities have been measured using solid-state nuclear track detectors (SSNTD), a very sensitive detector for alpha particles. The results show that alpha activity of those fertilizer and soil samples varies from 141 Bq/kg to 2,589 Bq/kg and from 109 Bq/kg to 660 Bq/kg, respectively. These results were used to estimate environmental radiation exposure on human health contributed by the direct application of fertilizers.

Chemical composition and larvicidal activity of Rollinia leptopetala (Annonaceae)

International Nuclear Information System (INIS)

Feitosa, Edinilza M.A.; Arriaga, Angela M.C.; Lemos, Telma L.G.; Oliveira, M. Conceicao F. de; Vasnconcelos, Jackson Nunes e; Lima, Jefferson Q.; Malcher, Grazielle T.; Santiago, Gilvandete M.P.; Nascimento, Ronaldo F. do; Braz-Filho, Raimundo

2009-01-01

The aim of present study was to describe the chemical composition of the essential oils from the leaf and stem of Rollinia leptopetala R. E. Fries (Annonaceae) and to evaluate the larvicidal activities of these essential oils, of the methanol extract from roots of this plant and of the oxoaporphine alkaloid, liriodenine (1) against the third-instar of Aedes aegypti larvae. The methanol extract from the roots showed larvicidal activity with LC 50 64.6 ± 1.5 ppm. Higher activity was observed for the isolated alkaloid liriodenine (1), LC 50 3.6 ± 0.4 ppm. The essential oils from the leaves and stems, also exhibited larvicidal activity with LC 50 104.7 ± 0.2 and 34.7 ± 0.3 ppm, respectively. These results suggest R. leptopetala as a source of natural larvicidal compounds. This is the first report about the chemical composition and larvicidal activity of the leaf and stem essential oils of R. leptopetala. (author)

Chemical composition and larvicidal activity of Rollinia leptopetala (Annonaceae)

Energy Technology Data Exchange (ETDEWEB)

Feitosa, Edinilza M.A.; Arriaga, Angela M.C.; Lemos, Telma L.G.; Oliveira, M. Conceicao F. de; Vasnconcelos, Jackson Nunes e; Lima, Jefferson Q.; Malcher, Grazielle T. [Universidade Federal do Ceara (UFC), Fortaleza, CE (Brazil). Dept. de Quimica Organica e Inorganica]. E-mail: angelamcarriaga@yahoo.com.br; Santiago, Gilvandete M.P. [Universidade Federal do Ceara (UFC), Fortaleza, CE (Brazil). Dept. de Farmacia; Nascimento, Ronaldo F. do [Universidade Federal do Ceara (UFC), Fortaleza, CE (Brazil). Dept. de Quimica Analitica e Fisico-Quimica; Braz-Filho, Raimundo [Universidade Estadual do Norte Fluminense (UENF), Campos dos Goytacases, RJ (Brazil). Setor de Quimica de Produtos Naturais. Lab. de Ciencias Quimicas

2009-07-01

The aim of present study was to describe the chemical composition of the essential oils from the leaf and stem of Rollinia leptopetala R. E. Fries (Annonaceae) and to evaluate the larvicidal activities of these essential oils, of the methanol extract from roots of this plant and of the oxoaporphine alkaloid, liriodenine (1) against the third-instar of Aedes aegypti larvae. The methanol extract from the roots showed larvicidal activity with LC{sub 50} 64.6 {+-} 1.5 ppm. Higher activity was observed for the isolated alkaloid liriodenine (1), LC{sub 50} 3.6 {+-} 0.4 ppm. The essential oils from the leaves and stems, also exhibited larvicidal activity with LC{sub 50} 104.7 {+-} 0.2 and 34.7 {+-} 0.3 ppm, respectively. These results suggest R. leptopetala as a source of natural larvicidal compounds. This is the first report about the chemical composition and larvicidal activity of the leaf and stem essential oils of R. leptopetala. (author)

Mathematical Modeling of Tin-Free Chemically-Active Antifouling Paint Behavior

DEFF Research Database (Denmark)

Yebra, Diego Meseguer; Kiil, Søren; Dam-Johansen, Kim

2006-01-01

Mathematical modeling has been used to characterize and validate the working mechanisms of tin-free, chemically-active antifouling (AF) paints. The model-based analysis of performance data from lab-scale rotary experiments has shown significant differences between antifouling technologies...... of Chemical Engineers....

anti-inflammatory and analgesic activities: chemical constituents of ...

African Journals Online (AJOL)

a

*Corresponding author. E-mail: bedisag@yahoo.fr. ANTI-INFLAMMATORY AND ANALGESIC ACTIVITIES: CHEMICAL CONSTITUENTS OF ESSENTIAL OILS OF OCIMUM GRATISSIMUM,. EUCALYPTUS CITRIODORA AND CYMBOPOGON GIGANTEUS INHIBITED. LIPOXYGENASE L-1 AND CYCLOOXYGENASE OF ...

Preparation of porous bio-char and activated carbon from rice husk by leaching ash and chemical activation.

Science.gov (United States)

Ahiduzzaman, Md; Sadrul Islam, A K M

2016-01-01

Preparation porous bio-char and activated carbon from rice husk char study has been conducted in this study. Rice husk char contains high amount silica that retards the porousness of bio-char. Porousness of rice husk char could be enhanced by removing the silica from char and applying heat at high temperature. Furthermore, the char is activated by using chemical activation under high temperature. In this study no inert media is used. The study is conducted at low oxygen environment by applying biomass for consuming oxygen inside reactor and double crucible method (one crucible inside another) is applied to prevent intrusion of oxygen into the char. The study results shows that porous carbon is prepared successfully without using any inert media. The adsorption capacity of material increased due to removal of silica and due to the activation with zinc chloride compared to using raw rice husk char. The surface area of porous carbon and activated carbon are found to be 28, 331 and 645 m(2) g(-1) for raw rice husk char, silica removed rice husk char and zinc chloride activated rice husk char, respectively. It is concluded from this study that porous bio-char and activated carbon could be prepared in normal environmental conditions instead of inert media. This study shows a method and possibility of activated carbon from agro-waste, and it could be scaled up for commercial production.

Adaptive Neuro-Fuzzy Inference System Applied QSAR with Quantum Chemical Descriptors for Predicting Radical Scavenging Activities of Carotenoids.

Science.gov (United States)

Jhin, Changho; Hwang, Keum Taek

2015-01-01

One of the physiological characteristics of carotenoids is their radical scavenging activity. In this study, the relationship between radical scavenging activities and quantum chemical descriptors of carotenoids was determined. Adaptive neuro-fuzzy inference system (ANFIS) applied quantitative structure-activity relationship models (QSAR) were also developed for predicting and comparing radical scavenging activities of carotenoids. Semi-empirical PM6 and PM7 quantum chemical calculations were done by MOPAC. Ionisation energies of neutral and monovalent cationic carotenoids and the product of chemical potentials of neutral and monovalent cationic carotenoids were significantly correlated with the radical scavenging activities, and consequently these descriptors were used as independent variables for the QSAR study. The ANFIS applied QSAR models were developed with two triangular-shaped input membership functions made for each of the independent variables and optimised by a backpropagation method. High prediction efficiencies were achieved by the ANFIS applied QSAR. The R-square values of the developed QSAR models with the variables calculated by PM6 and PM7 methods were 0.921 and 0.902, respectively. The results of this study demonstrated reliabilities of the selected quantum chemical descriptors and the significance of QSAR models.

Adaptive Neuro-Fuzzy Inference System Applied QSAR with Quantum Chemical Descriptors for Predicting Radical Scavenging Activities of Carotenoids.

Directory of Open Access Journals (Sweden)

Changho Jhin

Full Text Available One of the physiological characteristics of carotenoids is their radical scavenging activity. In this study, the relationship between radical scavenging activities and quantum chemical descriptors of carotenoids was determined. Adaptive neuro-fuzzy inference system (ANFIS applied quantitative structure-activity relationship models (QSAR were also developed for predicting and comparing radical scavenging activities of carotenoids. Semi-empirical PM6 and PM7 quantum chemical calculations were done by MOPAC. Ionisation energies of neutral and monovalent cationic carotenoids and the product of chemical potentials of neutral and monovalent cationic carotenoids were significantly correlated with the radical scavenging activities, and consequently these descriptors were used as independent variables for the QSAR study. The ANFIS applied QSAR models were developed with two triangular-shaped input membership functions made for each of the independent variables and optimised by a backpropagation method. High prediction efficiencies were achieved by the ANFIS applied QSAR. The R-square values of the developed QSAR models with the variables calculated by PM6 and PM7 methods were 0.921 and 0.902, respectively. The results of this study demonstrated reliabilities of the selected quantum chemical descriptors and the significance of QSAR models.

PRODUCTION OF CATHODES AND HIGH PURITY TARGETS OF CHEMICALLY ACTIVE METALS BY MEANS OF ELECTRONIC-RAY MELTING

Directory of Open Access Journals (Sweden)

A. V. Alifanov

2007-01-01

Full Text Available The technical process of production and restoration of worn cathodes and targets of chemically active metals (Ti, Zr, V and others with the help of cathode ray in vacuum is developed. Regenerating of worn cathodes, targets is carried out by means of insertion in chill of worn base and successive cathode ray deposition on certain places of required quantity of metal (from 2 till 50mm.

Microbial fuel cells with highly active aerobic biocathodes

Science.gov (United States)

Milner, Edward M.; Popescu, Dorin; Curtis, Tom; Head, Ian M.; Scott, Keith; Yu, Eileen H.

2016-08-01

Microbial fuel cells (MFCs), which convert organic waste to electricity, could be used to make the wastewater infrastructure more energy efficient and sustainable. However, platinum and other non-platinum chemical catalysts used for the oxygen reduction reaction (ORR) at the cathode of MFCs are unsustainable due to their high cost and long-term degradation. Aerobic biocathodes, which use microorganisms as the biocatalysts for cathode ORR, are a good alternative to chemical catalysts. In the current work, high-performing aerobic biocathodes with an onset potential for the ORR of +0.4 V vs. Ag/AgCl were enriched from activated sludge in electrochemical half-cells poised at -0.1 and + 0.2 V vs. Ag/AgCl. Gammaproteobacteria, distantly related to any known cultivated gammaproteobacterial lineage, were identified as dominant in these working electrode biofilms (23.3-44.3% of reads in 16S rRNA gene Ion Torrent libraries), and were in very low abundance in non-polarised control working electrode biofilms (0.5-0.7%). These Gammaproteobacteria were therefore most likely responsible for the high activity of biologically catalysed ORR. In MFC tests, a high-performing aerobic biocathode increased peak power 9-fold from 7 to 62 μW cm-2 in comparison to an unmodified carbon cathode, which was similar to peak power with a platinum-doped cathode at 70 μW cm-2.

Development of high power chemical oxygen lodine laser

Energy Technology Data Exchange (ETDEWEB)

Kim, Cheol Jung; Choi, Y. D.; Chung, C. M.; Kim, M. S.; Baik, S. H.; Kwon, S. O.; Park, S. K.; Kim, T. S

2001-10-01

This project is directed to construct 10kW Chemical Oxygen Iodine Laser (COIL) for decommissioning of old nuclear facilities, and to get the key technology that can be used for the development of high energy laser weapon. COIL is possible up to MW class in proportion to the amount of chemical reaction. For this reason, high energy laser weapon including Airborne Laser (ABL) and Airborne Tactical Laser (ATL) has been developed as a military use in USA. Recently, many research group have been doing a development study of COIL for nuclear and industrial use in material processing such as cutting and decommissioning by combining laser beam delivery through optical fiber. The Chemical Oxygen Iodine Laser of 6 kW output power has been developed in this project. The main technologies of chemical reaction and supersonic fluid control were developed. This technology can be applied for construction of 10 kW laser system. This laser can be used for old nuclear facilities and heavy industry by combining laser beam delivery through optical fiber. The development of High Energy Laser (HEL) weapon is necessary as a military use, and we conclude that Airborne Tactical Laser should be developed in our country.

Immune activation affects chemical sexual ornaments of male Iberian wall lizards

Science.gov (United States)

López, Pilar; Gabirot, Marianne; Martín, José

2009-01-01

Many animals use chemical signals in sexual selection, but it is not clear how these sexual traits might have evolved to signal honestly male condition. It is possible that there is a trade-off between maintaining the immune system and the elaboration of ornaments. We experimentally challenged the immune system of male Iberian wall lizards, Podarcis hispanica, with a bacterial antigen (lipopolysaccharide), without pathogenic effects, to explore whether the immune activation affected chemical ornaments. Immune activation resulted in decreased proportions of a major chemical in femoral secretions (cholesta-5,7-dien-3-ol = provitamin D3) known to be selected in scent of males by females and which active form (vitamin D) has a variety of important effects on immune system function. This result suggests the existence of a potential trade-off between physiological regulation of the immune system and the allocation of essential nutrients (vitamins) to sexual chemical ornaments in male lizards.

Textural and chemical properties of zinc chloride activated carbons prepared from pistachio-nut shells

Energy Technology Data Exchange (ETDEWEB)

Ting, Yang [School of Mechanical and Aerospace Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore); Lua, Aik Chong [School of Mechanical and Aerospace Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore)

2006-12-10

The effects of activation temperature on the textural and chemical properties of the activated carbons prepared from pistachio-nut shells using zinc chloride activation under both inert nitrogen gas atmosphere and vacuum condition were studied. Relatively low temperature of 400 deg. C was beneficial for the development of pore structures. Too high an activation temperature would lead to sintering of volatiles and shrinkage of the carbon structure. The microstructures and microcrystallinity of the activated carbons prepared were examined by scanning electron microscope and powder X-ray diffraction techniques, respectively, while Fourier transform infrared spectra determined the changes in the surface functional groups at the various stages of preparation.

Textural and chemical properties of zinc chloride activated carbons prepared from pistachio-nut shells

International Nuclear Information System (INIS)

Yang Ting; Lua, Aik Chong

2006-01-01

The effects of activation temperature on the textural and chemical properties of the activated carbons prepared from pistachio-nut shells using zinc chloride activation under both inert nitrogen gas atmosphere and vacuum condition were studied. Relatively low temperature of 400 deg. C was beneficial for the development of pore structures. Too high an activation temperature would lead to sintering of volatiles and shrinkage of the carbon structure. The microstructures and microcrystallinity of the activated carbons prepared were examined by scanning electron microscope and powder X-ray diffraction techniques, respectively, while Fourier transform infrared spectra determined the changes in the surface functional groups at the various stages of preparation

Active sampling technique to enhance chemical signature of buried explosives

Science.gov (United States)

Lovell, John S.; French, Patrick D.

2004-09-01

Deminers and dismounted countermine engineers commonly use metal detectors, ground penetrating radar and probes to locate mines. Many modern landmines have a very low metal content, which severely limits the effectiveness of metal detectors. Canines have also been used for landmine detection for decades. Experiments have shown that canines smell the explosives which are known to leak from most types of landmines. The fact that dogs can detect landmines indicates that vapor sensing is a viable approach to landmine detection. Several groups are currently developing systems to detect landmines by "sniffing" for the ultra-trace explosive vapors above the soil. The amount of material that is available to passive vapor sensing systems is limited to no more than the vapor in equilibrium with the explosive related chemicals (ERCs) distributed in the surface soils over and near the landmine. The low equilibrium vapor pressure of TNT in the soil/atmosphere boundary layer and the limited volume of the boundary layer air imply that passive chemical vapor sensing systems require sensitivities in the picogram range, or lower. ADA is working to overcome many of the limitations of passive sampling methods, by the use of an active sampling method that employs a high-powered (1,200+ joules) strobe lamp to create a highly amplified plume of vapor and/or ERC-bearing fine particulates. Initial investigations have demonstrated that this approach can amplify the detectability of TNT by two or three orders of magnitude. This new active sampling technique could be used with any suitable explosive sensor.

Borosilicate glasses for the high activity waste vetrification

International Nuclear Information System (INIS)

Cantale, C.; Donato, A.; Guidi, G.

1984-01-01

Some results concerning the researches carried out on the high-level wastes vitrification at ENEA, Comb-Mepis-Rifiu laboratory are reported. A fission product solution referred to power plant nuclear fuel reprocessing has been selected and simulated with no radioactive chemicals. Some glass composition have been tested for the vitrification of this solution, the best of them being taken into consideration for real active tests at the hot bench scale plant ESTER in Ispra. The final glasses have been characterized from the chemical and physical point of view; moreover some microstructural investigations have been performed in order to identify few microsegregations and to test the degree of amorphousness of the products

Management of synchronized network activity by highly active neurons

International Nuclear Information System (INIS)

Shein, Mark; Raichman, Nadav; Ben-Jacob, Eshel; Volman, Vladislav; Hanein, Yael

2008-01-01

Increasing evidence supports the idea that spontaneous brain activity may have an important functional role. Cultured neuronal networks provide a suitable model system to search for the mechanisms by which neuronal spontaneous activity is maintained and regulated. This activity is marked by synchronized bursting events (SBEs)—short time windows (hundreds of milliseconds) of rapid neuronal firing separated by long quiescent periods (seconds). However, there exists a special subset of rapidly firing neurons whose activity also persists between SBEs. It has been proposed that these highly active (HA) neurons play an important role in the management (i.e. establishment, maintenance and regulation) of the synchronized network activity. Here, we studied the dynamical properties and the functional role of HA neurons in homogeneous and engineered networks, during early network development, upon recovery from chemical inhibition and in response to electrical stimulations. We found that their sequences of inter-spike intervals (ISI) exhibit long time correlations and a unimodal distribution. During the network's development and under intense inhibition, the observed activity follows a transition period during which mostly HA neurons are active. Studying networks with engineered geometry, we found that HA neurons are precursors (the first to fire) of the spontaneous SBEs and are more responsive to electrical stimulations

Phyto chemical and biological studies of certain plants with potential radioprotective activity

International Nuclear Information System (INIS)

Sherif, N.H.M.I

2008-01-01

One of the promising directions of radiation protection development is the search for natural radioprotective agents.The present work includes: I- Screening of certain edible and medicinal plants growing in Egypt for their radioprotective activities. II- Detailed phyto chemical and biolo-activity studies of the dried leaves of brassaia actinophylla endl. comprising: A-Phyto chemical screening and proximate analysis. B-Investigation of lipoidal matter. C- Isolation, characterization and structure elucidation of phenolic constituents. D- Isolation, characterization and structure elucidation of saponin constituents. E- Evaluation of radioprotective and antitumor activities. I- Evaluation of potential radioprotective activities of certain herbs: In vivo biological screening designed to investigate the radioprotective role of 70% ethanol extract of 11 different herbals was carried out by measuring the lipid peroxide content, as well as the activities of two antioxidant enzymes; viz glutathione, and superoxide dismutase in blood and liver tissues 1 and 7 days after radiation exposure. II : Phyto chemical and biolo-activity studies of the dried leaves of brassaia actinophylla Endl A : preliminary phyto chemical screening, determination and TLC examination of successive extractives. B : Investigation of lipoidal matter. GLC of unsaponifiable matter (USM)

On chemical activity of heavy metal oxides

International Nuclear Information System (INIS)

Mechev, V.V.

1994-01-01

Interaction of solid oxides of heavy nonferrous metals with sulfur and carbon is investigated. The results are discussed. Direct dependence of chemical activity of oxides on disordering of their crystal lattice at heating is established. Beginning of interaction in the systems studied is accompanied by change of oxide conductivity type

The decommissioning and demolition of four suites of high active chemical analysis cells at DNPDE

International Nuclear Information System (INIS)

Black, R.M.; Spence, B.W.; Stewart, C.W.

1987-11-01

The decommissioning and demolition of four laboratory suites of high active cells at DNPDE is described. All four suites had suffered drain leaks of high active liquor into underfloor ducts; the options available at the time and current policy for dealing with the resultant activity deposits are given. The decommissioning procedures are detailed to provide information for future similar exercises. Features to ease demolition of such facilities and to eliminate the possibility of long term activity deposition from drain leaks are highlighted for incorporation in future designs. The waste arisings and radiation doses received during the work are tabulated. (author)

Anti-trypanosomal activities and structural chemical properties of selected compound classes.

Science.gov (United States)

Ponte-Sucre, Alicia; Bruhn, Heike; Schirmeister, Tanja; Cecil, Alexander; Albert, Christian R; Buechold, Christian; Tischer, Maximilian; Schlesinger, Susanne; Goebel, Tim; Fuß, Antje; Mathein, Daniela; Merget, Benjamin; Sotriffer, Christoph A; Stich, August; Krohne, Georg; Engstler, Markus; Bringmann, Gerhard; Holzgrabe, Ulrike

2015-02-01

Potent compounds do not necessarily make the best drugs in the market. Consequently, with the aim to describe tools that may be fundamental for refining the screening of candidates for animal and preclinical studies and further development, molecules of different structural classes synthesized within the frame of a broad screening platform were evaluated for their trypanocidal activities, cytotoxicities against murine macrophages J774.1 and selectivity indices, as well as for their ligand efficiencies and structural chemical properties. To advance into their modes of action, we also describe the morphological and ultrastructural changes exerted by selected members of each compound class on the parasite Trypanosoma brucei. Our data suggest that the potential organelles targeted are either the flagellar pocket (compound 77, N-Arylpyridinium salt; 15, amino acid derivative with piperazine moieties), the endoplasmic reticulum membrane systems (37, bisquaternary bisnaphthalimide; 77, N-Arylpyridinium salt; 68, piperidine derivative), or mitochondria and kinetoplasts (88, N-Arylpyridinium salt; 68, piperidine derivative). Amino acid derivatives with fumaric acid and piperazine moieties (4, 15) weakly inhibiting cysteine proteases seem to preferentially target acidic compartments. Our results suggest that ligand efficiency indices may be helpful to learn about the relationship between potency and chemical characteristics of the compounds. Interestingly, the correlations found between the physico-chemical parameters of the selected compounds and those of commercial molecules that target specific organelles indicate that our rationale might be helpful to drive compound design toward high activities and acceptable pharmacokinetic properties for all compound families.

Electron nature of chemically active state of spiropyran with nitro group. Dependence of efficiency of radiation colouring of spiropyrans on their structure

International Nuclear Information System (INIS)

Kholmanskij, A.S.; Zubkov, A.V.; Dyumaev, K.M.

1980-01-01

Using the theory of solvatochromy it is shown that chemically active state of spiropyran with nitro group is its highly polar electron-excitated state. On the basis of the image on the electron nature of chemically active state of spiropyran the dependence of the values of radiation yield of the coloured forms of spiropyrans upon their structure is explained

Production of granular activated carbon from agricultural wastes and determination of their physical, chemical and adsorption properties

Energy Technology Data Exchange (ETDEWEB)

Ayguen, A.; Duman, I. [Istanbul Technical Univ., Inst. of Science and Technology, Dept. of Metallurgical Engineering, Istanbul (Turkey); Yenisoy-Karakas, S. [TUeBITAK Marmara Research Center (MRC), Materials and Chemical Technologies Research Inst., Gebze Kocaeli (Turkey)

2004-07-01

The aim of this study is to produce activated carbons with good mechanical strength and high adsorption capacities toward various organics from food wastes such as walnut, almond, hazelnut shells and apricot stones. Turkey has huge amounts of these wastes in canning industry. The chemical activation with ZnCl{sub 2} was preferred to manufacture activated carbons. The best activation temperature and time were determined. Granular activated carbons were discussed with respect to their physical, chemical, surface area and adsorption properties. For all raw materials, the specific surface areas of greater than 730 m{sup 2} g{sup -1} were reached. As a result of the adsorption studies, adsorption capacities were in order of hazelnut> apricot stones> walnut> almond. The correlation coefficients obtained from Langmuir and Freundlich isotherms are in good agreement with the experimental results. (orig.)

Chemical Structure-Biological Activity Models for Pharmacophores’ 3D-Interactions

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Mihai V. Putz

2016-07-01

Full Text Available Within medicinal chemistry nowadays, the so-called pharmaco-dynamics seeks for qualitative (for understanding and quantitative (for predicting mechanisms/models by which given chemical structure or series of congeners actively act on biological sites either by focused interaction/therapy or by diffuse/hazardous influence. To this aim, the present review exposes three of the fertile directions in approaching the biological activity by chemical structural causes: the special computing trace of the algebraic structure-activity relationship (SPECTRAL-SAR offering the full analytical counterpart for multi-variate computational regression, the minimal topological difference (MTD as the revived precursor for comparative molecular field analyses (CoMFA and comparative molecular similarity indices analysis (CoMSIA; all of these methods and algorithms were presented, discussed and exemplified on relevant chemical medicinal systems as proton pump inhibitors belonging to the 4-indolyl,2-guanidinothiazole class of derivatives blocking the acid secretion from parietal cells in the stomach, the 1-[(2-hydroxyethoxy-methyl]-6-(phenylthiothymine congeners’ (HEPT ligands antiviral activity against Human Immunodeficiency Virus of first type (HIV-1 and new pharmacophores in treating severe genetic disorders (like depression and psychosis, respectively, all involving 3D pharmacophore interactions.

Enrichment: CRISLA [chemical reaction by isotope selective activation] aims to reduce costs

International Nuclear Information System (INIS)

Eerkens, J.W.

1989-01-01

Every year, more than $3 billion is spent on enriching uranium. CRISLA (Chemical Reaction by Isotope Selective Activation) uses a laser-catalyzed chemical reaction which, its proponents claim, could substantially reduce these costs. In CRISLA, an infrared CO laser illuminates the intracavity reaction cell (IC) at a frequency tuned to excite primarily UF 6 . When UF 6 and co-reactant RX are passed through the IC, the tuned laser photons preferentially enhance the reaction of UF 6 with RX ten-thousand-fold over the thermal reaction rate. Thus the laser serves as an activator and the chemical energy for separation is largely chemical. (author)

Chemically synthesized metal-oxide-metal segmented nanowires with high ferroelectric response

Energy Technology Data Exchange (ETDEWEB)

Herderick, Edward D; Padture, Nitin P [Department of Materials Science and Engineering, Center for Emergent Materials, Ohio State University, Columbus, OH 43210 (United States); Polomoff, Nicholas A; Huey, Bryan D, E-mail: padture.1@osu.edu [Department of Chemical, Materials, and Biomolecular Engineering, Institute of Materials Science, University of Connecticut, Storrs, CT 06269 (United States)

2010-08-20

A chemical synthesis method is presented for the fabrication of high-definition segmented metal-oxide-metal (MOM) nanowires in two different ferroelectric oxide systems: Au-BaTiO{sub 3}-Au and Au-PbTiO{sub 3}-Au. This method entails electrodeposition of segmented nanowires of Au-TiO{sub 2}-Au inside anodic aluminum oxide (AAO) templates, followed by topotactic hydrothermal conversion of the TiO{sub 2} segments into BaTiO{sub 3} or PbTiO{sub 3} segments. Two-terminal devices from individual MOM nanowires are fabricated, and their ferroelectric properties are measured directly, without the aid of scanning probe microscopy (SPM) methods. The MOM nanowire architecture provides high-quality end-on electrical contacts to the oxide segments, and allows direct measurement of properties of nanoscale volume, strain-free oxide segments. Unusually high ferroelectric responses, for chemically synthesized oxides, in these MOM nanowires are reported, and are attributed to the lack of residual strain in the oxides. The ability to measure directly the active properties of nanoscale volume, strain-free oxides afforded by the MOM nanowire architecture has important implications for fundamental studies of not only ferroelectric nanostructures but also nanostructures in the emerging field of multiferroics.

Chemical influence on the hydro-mechanical behaviour of high-density bentonite

Energy Technology Data Exchange (ETDEWEB)

Castellanos, E.; Romero, E.; Lioret, A. [Technical Univ. of Catalonia UPC, Barcelona (Spain); Musso, G. [Politecnico di Torino, Torino (Italy)

2005-07-01

In radioactive waste disposal schemes, during the operational period of clay barriers, solute transport an d thermal gradients may alter the solute concentration of pore water. These induced changes have important consequences on hydro-mechanical properties and microstructural alterations (mineral composition and pore size distribution changes) of the clay barrier. Chemically induced changes originated by different imbibition fluids and soil mineral compositions have been a subject with a long research tradition. These researches have been mainly focused on the behaviour of reconstituted soils starting from slurry and saturated wit h saline solutions at elevated concentrations, where hydro-mechanical changes (soil compressibility and water permeability changes) are clearly detected. In contrast, available information concerning the response of high-density clays subjected to chemically induced actions with a wide range of pore solution concentrations is very limited in spite of its practical relevance to environmental geotechnics. This situation has been caused, at least in part, by the difficulties in detecting important hydro-mechanical changes when clays with low water storage capacity have been used. Nevertheless, this paper will demonstrate that even in the case of high-density fabrics, considerable changes can be observed when high-activity clays (bentonites) are imbibed with different pore fluid compositions. (authors)

[Chemical Constituents in hypoglycemic active fraction of Celastrus orbiculatus leaf].

Science.gov (United States)

Yu, Xiao-xia; Zhang, Ting-ting; Wang, Ding-yong

2014-06-01

To study the chemical constituents in the hypoglycemic active fraction of Celastrus orbiculatus leaf. The constituents were separated and purified by column chromatography and thin layer chromatography, and their structures were elucidated by IR, MS and NMR. Seven compounds were isolated from the active fraction of Celastnrus orbiculatus, which identified as kaempferol( 1) ,quercetin(2), kaempferol-7-0-α-L-rhamnoside (3), kaempferol-3,7-di-O-α-L-rhamnoside (4) , quercetin-3-0-β-D-glucoside(5), myricetrin(6) and kaempferol-3-0-rutinoside(7). Chemical constituents in the hypoglycemic active fraction of Celastrus orbiculatus leaf are reported for the first time,and compounds 5,6 and 7 are firstly obtained from this plant.

Plants and chemical constituents with giardicidal activity

Directory of Open Access Journals (Sweden)

Flavia M.M. Amaral

Full Text Available Intestinal infection caused by Giardia lamblia represents a serious public health problem, with increased rates of prevalence in numerous countries. Increased resistance of the parasite and the side-effects of the reference drugs employed in the treatment of giardiasis make necessary to seek new therapeutic agents. Natural products, especially of plant origin, represent excellent starting point for research. The objective of this study is to review the literature on plant extracts, fractions and chemical constituents whose giardicidal activity has been investigated in vitro. The review describes 153 (one hundred and fifty-three plant species from 69 (sixty-nine families that were evaluated for their giardicidal activity. The geographical distribution of the plant species, the part used, preparation, strain of Giardia lamblia tested and the results obtained by the authors are also given. One hundred and one compounds isolated from plant species, classified by chemical class, are presented. Recent aspects of research on natural products of plant origin employed in the treatment of giardiasis are also discussed.

A simple chemical method for the separation of phosphorus interfering the trace element determinations by neutron activation analysis in high doped silicon wafers

International Nuclear Information System (INIS)

Wagler, H.; Flachowsky, J.

1986-01-01

Neutron activation analysis is one of the most available method for the determination of trace elements, but in the case of P-doped silicon wafers the 32 P-activity interferes the gamma spectrometry. It is not possible to determine the trace elements without chemical manipulations. On the other hand, time consuming chemical separations should be avoided. Therefore, a simple and rapid P-separation method has to be developed, in which the following twelve trace elements should be taken into consideration: Ag, As, Au, Co, Cr, Cu, Fe, Mo, Na, Sb, W, and Zn. After acid oxidative dissolution of the activated sample, P is present as phosphate ion. The phosphate ion is removed by precipitation as BiPO 4 . (author)

Chemical Components and Cardiovascular Activities of Valeriana spp.

Directory of Open Access Journals (Sweden)

Heng-Wen Chen

2015-01-01

Full Text Available Valeriana spp. is a flowering plant that is well known for its essential oils, iridoid compounds such as monoterpenes and sesquiterpenes, flavonoids, alkaloids, amino acids, and lignanoids. Valeriana spp. exhibits a wide range of biological activities such as lowering blood pressure and heart rate, antimyocardial ischemia reperfusion injury, antiarrhythmia, and regulation of blood lipid levels. This review focuses on the chemical constituents and cardiovascular activities of Valeriana spp.

Sensitivity of neuroprogenitor cells to chemical-induced apoptosis using a multiplexed assay suitable for high-throughput screening

International Nuclear Information System (INIS)

Druwe, Ingrid; Freudenrich, Theresa M.; Wallace, Kathleen; Shafer, Timothy J.; Mundy, William R.

2015-01-01

High-throughput methods are useful for rapidly screening large numbers of chemicals for biological activity, including the perturbation of pathways that may lead to adverse cellular effects. In vitro assays for the key events of neurodevelopment, including apoptosis, may be used in a battery of tests for detecting chemicals that could result in developmental neurotoxicity. Apoptosis contributes to nervous system development by regulating the size of the neuroprogenitor cell pool, and the balance between cellular proliferation and apoptosis during neuroprogenitor cell proliferation helps to determine the size and shape of the nervous system. Therefore, chemicals that affect apoptosis during neuronal development can have deleterious effects on the developing brain. The present study examined the utility of a high-throughput assay to detect chemical-induced apoptosis in mouse or human neuroprogenitor cells, as well as differentiated human neurons derived from induced pluripotent stem cells. Apoptosis was assessed using an assay that measures enzymatic activity of caspase-3/7 in a rapid and cost efficient manner. The results show that all three commercially available models generated a robust source of proliferating neuroprogenitor cells, and that the assay was sensitive and reproducible when used in a multi-well plate format. There were differences in the response of rodent and human neuroprogenitor cells to a set of chemicals previously shown to induce apoptosis in vitro. Neuroprogenitor cells were more sensitive to chemical-induced apoptosis than differentiated neurons, suggesting that neuroprogenitor cells are one of the cell models that should be considered for use in a developmental neurotoxicity screening battery

Pyroelectrically Induced Pyro-Electro-Chemical Catalytic Activity of BaTiO3 Nanofibers under Room-Temperature Cold–Hot Cycle Excitations

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Yuntao Xia

2017-04-01

Full Text Available A pyro-electro-chemical catalytic dye decomposition using lead-free BaTiO3 nanofibers was realized under room-temperature cold–hot cycle excitation (30–47 °C with a high Rhodamine B (RhB decomposition efficiency ~99%, which should be ascribed to the product of pyro-electric effect and electrochemical redox reaction. Furthermore, the existence of intermediate product of hydroxyl radical in pyro-electro-chemical catalytic process was also observed. There is no significant decrease in pyro-electro-chemical catalysis activity after being recycled five times. The pyro-electrically induced pyro-electro-chemical catalysis provides a high-efficient, reusable and environmentally friendly technology to remove organic pollutants from water.

Determination of Chemical States of Mercury on Activated Carbon Using XANES

International Nuclear Information System (INIS)

Takaoka, Masaki; Takeda, Nobuo; Oshita, Kazuyuki; Yamamoto, Takashi; Tanaka, Tsunehiro; Uruga, Tomoya

2007-01-01

Although the adsorption of mercury vapor onto activated carbon is a widely used technology to prevent environmental release, the adsorption mechanism is not clearly understood. In this study, we determined the chemical states of mercury on two kinds of activated carbon using X-ray absorption near-edge spectroscopy (XANES) to elucidate the adsorption mechanism. The adsorption experiments of elemental mercury onto activated carbon were conducted under air and nitrogen atmospheres at temperatures of 20 and 160 deg. C. Two types of activated carbon were prepared. X-ray absorption fine structure (XAFS) measurements were carried out on beamline BL01B1 at SPring-8. Hg-LIII edge XANES spectra suggested that chemical adsorption of elemental mercury on the activated carbon occurred in the 20-160 deg. C temperature range. According to the XANES spectra, a difference occurred in the chemical states of mercury between AC no. 1 and AC no. 2. The Hg XANES spectra on AC no. 1 were similar to those of Hg2Cl2 and HgS, and the Hg XANES spectra on AC no. 2 were similar to that of HgO, which suggested that nitric acid treatment removed sulfur from AC no. 1 and functional groups that were strong oxidizers on the surface of AC no. 2 created HgO. According to the EXAFS oscillation, a difference occurred in the chemical states of mercury on AC no. 1 between 20 and 160 deg. C. We found that impurities and oxidant functional groups on activated carbon play key roles in mercury adsorption

Short Communication: Studies of antimicrobial activity and chemical ...

African Journals Online (AJOL)

Chemical constituents of the extract were also determined. The extract of was active against the test organisms including Escherischia coli, Pseudomonas aeruginosa and Candida albicans. Tannins, flavonoids, alkaloids, saponins, anthrax-quinones, starch, general glycosides and bitter principles were found to be present ...

Physio-chemical evaluation and biological activity of Ajuga ...

African Journals Online (AJOL)

Physio-chemical evaluation and biological activity of Ajuga bracteosa wall and Viola odoroto Linn. Anwar Ali Shad, M. Zeeshan, Hina Fazal, Hamid Ullah Shah, Shabir Ahmed, Hasem Abeer, E. F. Abd_Allah, Riaz Ullah, Hamid Afridi, Akash tariq, Muhammad Adnan Asma ...

On the radiochemical purity of elementary 35S with high specific activity

International Nuclear Information System (INIS)

Todorovsky, D.S.; Kostadinov, K.N.; Efremova, Yu.N.

1979-01-01

Radiochemical composition and chemical changes with increasing storage time of benzene solutions and of solid species of elementary 35 S with high specific activity are studied. The dependence of the stability on the specific activity and the radioactive concentration is shown and some tentative limits are given for permissible storage periods. (author)

Non-equilibrium effects in high temperature chemical reactions

Science.gov (United States)

Johnson, Richard E.

1987-01-01

Reaction rate data were collected for chemical reactions occurring at high temperatures during reentry of space vehicles. The principle of detailed balancing is used in modeling kinetics of chemical reactions at high temperatures. Although this principle does not hold for certain transient or incubation times in the initial phase of the reaction, it does seem to be valid for the rates of internal energy transitions that occur within molecules and atoms. That is, for every rate of transition within the internal energy states of atoms or molecules, there is an inverse rate that is related through an equilibrium expression involving the energy difference of the transition.

Transformation of highly toxic chemicals factory for Fuqing nuclear power plant

International Nuclear Information System (INIS)

Wang Hongkai; Gao Yuan; Li Hua

2014-01-01

For the iodine adsorption tests of current M310 nuclear power plant, dimethyl sulfate is one of highly toxic chemical of national strict standard management, and the nation make strict control over toxic chemicals procurement, transportation, storage, management requirements. Since the appropriate toxic chemicals storage place was not considered in the design of M310 nuclear power plant, Fuqing nuclear power sites for storage of dimethyl sulfate implement technical transformation to meet and regulate the storage requirements for highly toxic chemical. This will lay the foundation for carrying out smoothly the relevant tests of nuclear power plant, and provide the reference for the use and construction of toxic chemicals reactor in the same type nuclear power plant. (authors)

A Workflow to Investigate Exposure and Pharmacokinetic Influences on High-Throughput in Vitro Chemical Screening Based on Adverse Outcome Pathways

Science.gov (United States)

Phillips, Martin B.; Leonard, Jeremy A.; Grulke, Christopher M.; Chang, Daniel T.; Edwards, Stephen W.; Brooks, Raina; Goldsmith, Michael-Rock; El-Masri, Hisham; Tan, Yu-Mei

2015-01-01

Background Adverse outcome pathways (AOPs) link adverse effects in individuals or populations to a molecular initiating event (MIE) that can be quantified using in vitro methods. Practical application of AOPs in chemical-specific risk assessment requires incorporation of knowledge on exposure, along with absorption, distribution, metabolism, and excretion (ADME) properties of chemicals. Objectives We developed a conceptual workflow to examine exposure and ADME properties in relation to an MIE. The utility of this workflow was evaluated using a previously established AOP, acetylcholinesterase (AChE) inhibition. Methods Thirty chemicals found to inhibit human AChE in the ToxCast™ assay were examined with respect to their exposure, absorption potential, and ability to cross the blood–brain barrier (BBB). Structures of active chemicals were compared against structures of 1,029 inactive chemicals to detect possible parent compounds that might have active metabolites. Results Application of the workflow screened 10 “low-priority” chemicals of 30 active chemicals. Fifty-two of the 1,029 inactive chemicals exhibited a similarity threshold of ≥ 75% with their nearest active neighbors. Of these 52 compounds, 30 were excluded due to poor absorption or distribution. The remaining 22 compounds may inhibit AChE in vivo either directly or as a result of metabolic activation. Conclusions The incorporation of exposure and ADME properties into the conceptual workflow eliminated 10 “low-priority” chemicals that may otherwise have undergone additional, resource-consuming analyses. Our workflow also increased confidence in interpretation of in vitro results by identifying possible “false negatives.” Citation Phillips MB, Leonard JA, Grulke CM, Chang DT, Edwards SW, Brooks R, Goldsmith MR, El-Masri H, Tan YM. 2016. A workflow to investigate exposure and pharmacokinetic influences on high-throughput in vitro chemical screening based on adverse outcome pathways. Environ

Chemical Characterization and Antioxidant, Antimicrobial, and Anti-Inflammatory Activities of South Brazilian Organic Propolis

Science.gov (United States)

Tiveron, Ana Paula; Rosalen, Pedro Luiz; Franchin, Marcelo; Lacerda, Risia Cristina Coelho; Bueno-Silva, Bruno; Benso, Bruna; Denny, Carina; Ikegaki, Masaharu; de Alencar, Severino Matias

2016-01-01

South Brazilian organic propolis (OP), which has never been studied before, was assessed and its chemical composition, scavenging potential of reactive oxygen species, antimicrobial and anti-inflammatory activities are herein presented. Based on the chemical profile obtained using HPLC, OP was grouped into seven variants (OP1–OP7) and all of them exhibited high scavenging activity, mainly against superoxide and hypochlorous acid species. OP1, OP2, and OP3 had the smallest minimal inhibitory concentration (MIC) against Gram-positive bacteria Streptococcus mutans, Streptococcus oralis, and Streptococcus aureus (12.5–100 μg/mL). OP1, OP2, OP3, and OP4 were more effective against Pseudomonas aeruginosa (Gram-negative), with MIC values ranging from 100 to 200 μg/mL. OP6 showed anti-inflammatory activity by decreasing NF-kB activation and TNF-α release in RAW 264.7 macrophages, and expressing the NF-κB-luciferase reporter stable gene. Therefore, south Brazilian OP can be considered an excellent source of bioactive compounds with great potential of application in the pharmaceutical and food industry. PMID:27802316

Plant Sterols: Chemical and Enzymatic Structural Modifications and Effects on Their Cholesterol-Lowering Activity.

Science.gov (United States)

He, Wen-Sen; Zhu, Hanyue; Chen, Zhen-Yu

2018-03-28

Plant sterols have attracted increasing attention due to their excellent cholesterol-lowering activity. However, free plant sterols have some characteristics of low oil solubility, water insolubility, high melting point, and low bioavailability, which greatly limit their application in foods. Numerous studies have been undertaken to modify their chemical structures to improve their chemical and physical properties in meeting the needs of various applications. The present review is to summarize the literature and update the progress on structural modifications of plant sterols in the following aspects: (i) synthesis of plant sterol esters by esterification and transesterification with hydrophobic fatty acids and triacylglycerols to improve their oil solubility, (ii) synthesis of plant sterol derivatives by coupling with various hydrophilic moieties to enhance their water solubility, and (iii) mechanisms by which plant sterols reduce plasma cholesterol and the effect of structural modifications on plasma cholesterol-lowering activity of plant sterols.

Chemical compounds and antimicrobial activity of petitgrain (Citrus aurantium L. var. amara essential oil

Directory of Open Access Journals (Sweden)

Gniewosz Małgorzata

2017-12-01

Full Text Available Introduction: Due to its low cost and easy availability on the market, the petitgrain oil is commonly used in food, cosmetics, and aromatherapy. Objective: The examination of chemical composition and antibacterial activity of commercial petitgrain oil. Methods: Identification of chemical components of the petitgrain oil was performed by gas chromatography (GC. The minimum inhibitory concentrations (MIC and minimum bactericidal/fungicidal concentrations (MBC/MFC were determined using macrodilution method for the reference strains of bacteria and fungi. Results: Twenty components were identified. The petitgrain oil contained mostly oxygenated monoterpene hydrocarbons (98.01%, and the main components included linalyl acetate (48.06% and linalool (26.88%. The MIC/MBC of the petitgrain oil for bacteria was in the range of 0.63-5.0/1.25-5.0 mg/ml and for fungi in the range of 1.25-40/5.0-80 mg/ml. Conclusion: The petitgrain oil had higher antibacterial activity than antifungal activity. Bacillus subtilis among the tested bacteria and Aspergillus niger and Penicillium expansum among the fungi were found to be highly inhibited by the petitgrain oil.

Decolorization and chemical regeneration of granular activated carbon used in citric acid refining

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Kang Sun

2009-04-01

Full Text Available Citric acid fermentation (CAF liquor decolorization by granular activated carbon (GAC was studied and an improved chemical regeneration method of the exhausted GAC by the color of CAF liquor was investigated. The effects of the GAC dosage, time and temperature on the decoloring efficiency (DE % were studied. The DE % of the original GAC was 91 %. The regeneration efficiency (RE % using chemical regents was 104 % of the original GAC. Hot water as cheap reagent was found to be much helpful to the regeneration efficiency. Using oxidant and surfactant in addition to just using NaOH solution can recover 10 % more adsorption capacity of renewed GAC. The adding dosage of oxidant is good at 3 % of exhausted GAC weight; that of surfactant is good at 0.1 %. Comparing with steam regeneration method, high regeneration yield (> 95 % of chemical method was an attractive economic factor. The results of this investigation can be as helpful reference for citric acid manufacturer expanding profits.

Sensitivity of neuroprogenitor cells to chemical-induced apoptosis using a multiplexed assay suitable for high-throughput screening*

Science.gov (United States)

AbstractHigh-throughput methods are useful for rapidly screening large numbers of chemicals for biological activity, including the perturbation of pathways that may lead to adverse cellular effects. In vitro assays for the key events of neurodevelopment, including apoptosis, may ...

Antioxidant Activity of a Geopropolis from Northeast Brazil: Chemical Characterization and Likely Botanical Origin.

Science.gov (United States)

Ferreira, Joselena M; Fernandes-Silva, Caroline C; Salatino, Antonio; Message, Dejair; Negri, Giuseppina

2017-01-01

Geopropolis is a product containing wax, plant resin, and soil particles. It is elaborated by stingless bees of tribe Meliponini. Methanol extracts of sample of geopropolis produced by Scaptotrigona postica ("mandaguari") in the state of Rio Grande do Norte (RN, northeast Brazil) were analyzed for the determination of standard parameters (total phenols, total flavonoids, and radical scavenging activity) and chemical characterization by HPLC-DAD-MS/MS analysis. The sample analyzed has high contents of total phenols and flavonoids, as well as high antioxidant activity. The constituents characterized were mainly flavonols, such as quercetin methyl ethers, and methoxychalcones. Such chemical profile is similar to the composition of a green propolis from the same area of RN, which is produced by Africanized Apis mellifera , using shoot apices of Mimosa tenuiflora , popularly known as "jurema-preta." This finding provides evidence that "mandaguari" geopropolis and honeybee propolis have the same botanical origin in RN. The sharing of a plant resin source by phylogenetically distant bees (Apinae and Meliponinae) suggests that bee genetic factors play little role in the choice of plants for resin collection and that the availability of potential botanical sources plays a decisive role.

Pronuclear formation by ICSI using chemically activated ovine oocytes and zona pellucida bound sperm

Directory of Open Access Journals (Sweden)

J. E. Hernández-Pichardo

2016-11-01

Full Text Available Abstract Background In order to improve ICSI, appropiate sperm selection and oocyte activation is necessary. The objective of the present study was to determine the efficiency of fertilization using ICSI with chemically activated ovine oocytes and sperm selected by swim up (SU or swim up + zona pellucida (SU + ZP binding. Results Experiment 1, 4–20 replicates with total 821 in vitro matured oocytes were chemically activated with ethanol, calcium ionophore or ionomycin, to determine oocyte activation (precense of one PN. Treatments showed similar results (54, 47, 42 %, respectively but statistically differents (P  0.05. Conclusions Chemical activation induces higher ovine oocyte activation than mechanical activation. Ethanol slightly displays higher oocyte activation than calcium ionophore and ionomicine. Sperm selection with SU + ZP increased AR/A and AR/D rates in comparison with SU in fresh and frozen-thawed sperm. According to this, in terms of fertilization rates, chemical activation after ICSI increased oocyte PN formation compared to mechanical activation. Also, fresh sperm treated with SU and SU + ZP were significantly different than frozen-thawed sperm, but between sperm treatments no significant differences were obtained.

Chemically induced and light-independent cryptochrome photoreceptor activation.

Science.gov (United States)

Rosenfeldt, Gesa; Viana, Rafael Muñoz; Mootz, Henning D; von Arnim, Albrecht G; Batschauer, Alfred

2008-01-01

The cryptochrome photoreceptors of higher plants are dimeric proteins. Their N-terminal photosensory domain mediates dimerization, and the unique C-terminal extension (CCT) mediates signaling. We made use of the human FK506-binding protein (FKBP) that binds with high affinity to rapamycin or rapamycin analogs (rapalogs). The FKBP-rapamycin complex is recognized by another protein, FRB, thus allowing rapamycin-induced dimerization of two target proteins. Here we demonstrate by bioluminescence resonance energy transfer (BRET) assays the applicability of this regulated dimerization system to plants. Furthermore, we show that fusion proteins consisting of the C-terminal domain of Arabidopsis cryptochrome 2 fused to FKBP and FRB and coexpressed in Arabidopsis cells specifically induce the expression of cryptochrome-controlled reporter and endogenous genes in darkness upon incubation with the rapalog. These results demonstrate that the activation of cryptochrome signal transduction can be chemically induced in a dose-dependent fashion and uncoupled from the light signal, and provide the groundwork for gain-of-function experiments to study specifically the role of photoreceptors in darkness or in signaling cross-talk even under light conditions that activate members of all photoreceptor families.

Effect of high temperature filtration on out-core corrosion product activity

International Nuclear Information System (INIS)

Horvath, G.L.; Bogancs, J.

1983-01-01

Investigation of the effect of high temperature filtration on corrosion product transport and out-core corrosion product activity has been carried out for VVER-440 plants. In the physico-chemical model applied particulate and dissolved corrosion products were taken into account. We supposed 100% effectivity for the particulate filter. It was found that about 0,5% 160 t/h/ of the main flow would result in an approx.50% reduction of the out-core corrosion product activity. Investigation of the details of the physico-chemical model in Nuclear Power Plant Paks showed a particle deposition rate measured during power transients fairly agreeing with other measurements and data used in the calculations. (author)

Fault Diagnosis Based on Chemical Sensor Data with an Active Deep Neural Network.

Science.gov (United States)

Jiang, Peng; Hu, Zhixin; Liu, Jun; Yu, Shanen; Wu, Feng

2016-10-13

Big sensor data provide significant potential for chemical fault diagnosis, which involves the baseline values of security, stability and reliability in chemical processes. A deep neural network (DNN) with novel active learning for inducing chemical fault diagnosis is presented in this study. It is a method using large amount of chemical sensor data, which is a combination of deep learning and active learning criterion to target the difficulty of consecutive fault diagnosis. DNN with deep architectures, instead of shallow ones, could be developed through deep learning to learn a suitable feature representation from raw sensor data in an unsupervised manner using stacked denoising auto-encoder (SDAE) and work through a layer-by-layer successive learning process. The features are added to the top Softmax regression layer to construct the discriminative fault characteristics for diagnosis in a supervised manner. Considering the expensive and time consuming labeling of sensor data in chemical applications, in contrast to the available methods, we employ a novel active learning criterion for the particularity of chemical processes, which is a combination of Best vs. Second Best criterion (BvSB) and a Lowest False Positive criterion (LFP), for further fine-tuning of diagnosis model in an active manner rather than passive manner. That is, we allow models to rank the most informative sensor data to be labeled for updating the DNN parameters during the interaction phase. The effectiveness of the proposed method is validated in two well-known industrial datasets. Results indicate that the proposed method can obtain superior diagnosis accuracy and provide significant performance improvement in accuracy and false positive rate with less labeled chemical sensor data by further active learning compared with existing methods.

A Comparison of Neutron-Based Non-Destructive Assessment Methods for Chemical Warfare Material and High Explosives

International Nuclear Information System (INIS)

Seabury, E. H.; Chichester, D. L.; Wharton, C. J.; Caffrey, A. J.

2009-01-01

Prompt Gamma Neutron Activation Analysis (PGNAA) systems employ neutrons as a probe to interrogate items, e.g. chemical warfare materiel-filled munitions. The choice of a neutron source in field-portable systems is determined by its ability to excite nuclei of interest, operational concerns such as radiological safety and ease-of-use, and cost. Idaho National Laboratory's PINS Chemical Assay System has traditionally used a 252 Cf isotopic neutron source, but recently a deuterium-tritium (DT) electronic neutron generator (ENG) has been tested as an alternate neutron source. This paper presents the results of using both of these neutron sources to interrogate chemical warfare materiel (CWM) and high explosive (HE) filled munitions.

Aloe vera Derived Activated High-Surface-Area Carbon for Flexible and High-Energy Supercapacitors.

Science.gov (United States)

Karnan, M; Subramani, K; Sudhan, N; Ilayaraja, N; Sathish, M

2016-12-28

Materials which possess high specific capacitance in device configuration with low cost are essential for viable application in supercapacitors. Herein, a flexible high-energy supercapacitor device was fabricated using porous activated high-surface-area carbon derived from aloe leaf (Aloe vera) as a precursor. The A. vera derived activated carbon showed mesoporous nature with high specific surface area of ∼1890 m 2 /g. A high specific capacitance of 410 and 306 F/g was achieved in three-electrode and symmetric two-electrode system configurations in aqueous electrolyte, respectively. The fabricated all-solid-state device showed a high specific capacitance of 244 F/g with an energy density of 8.6 Wh/kg. In an ionic liquid electrolyte, the fabricated device showed a high specific capacitance of 126 F/g and a wide potential window up to 3 V, which results in a high energy density of 40 Wh/kg. Furthermore, it was observed that the activation temperature has significant role in the electrochemical performance, as the activated sample at 700 °C showed best activity than the samples activated at 600 and 800 °C. The electron microscopic images (FE-SEM and HR-TEM) confirmed the formation of pores by the chemical activation. A fabricated supercapacitor device in ionic liquid with 3 V could power up a red LED for 30 min upon charging for 20s. Also, it is shown that the operation voltage and capacitance of flexible all-solid-state symmetric supercapacitors fabricated using aloe-derived activated carbon could be easily tuned by series and parallel combinations. The performance of fabricated supercapacitor devices using A. vera derived activated carbon in all-solid-state and ionic liquid indicates their viable applications in flexible devices and energy storage.

TSCA Chemical Data Reporting Fact Sheet: Reporting Manufactured Chemical Substances from Metal Mining and Related Activities

Science.gov (United States)

This fact sheet provides guidance on the Chemical Data Reporting (CDR) rule requirements related to the reporting of mined metals, intermediates, and byproducts manufactured during metal mining and related activities.

Synthesis and chemical recycling of high polymers using C1 compounds; C1 kagobutsu ni yoru kobunshi no chemical recycle

Energy Technology Data Exchange (ETDEWEB)

Masuda, T. [National Institute of Materials and Chemical Research, Tsukuba (Japan)

1997-09-01

The paper outlined a study of the synthesis of high polymers using C1 compounds which are continuously usable chemical materials and the related compounds such as the derivatives, and also the chemical recycle. In the case of waste plastics mixed in urban refuse, effective is the chemical recycle where C1 compounds obtained by gasifying the mixed waste are used as high polymer material. For the synthesis and recycle of high polymers using C1 compounds, there are three routes: Route A (recycle via high polymer materials), Route B (recycle via C1 compounds and high polymer materials), and Route C including global-scale carbon recycle (recycle via carbon dioxide from biodegradable plastics using microorganism). Among high polymers, those that can be synthesized from C1 compounds, for example, polymethylene, polyacetal and polyketone can be chemically recycled by Route B. 30 refs., 2 figs., 1 tab.

Do Training Programs Work? An Assessment of Pharmacists Activities in the Field of Chemical Dependency.

Science.gov (United States)

Brooks, Valerie G.; Brock, Tina Penick; Ahn, Jungeun

2001-01-01

Seeks to determine if pharmacists who attended a chemical dependency training program were performing more chemical dependency related activities. Results reveal that participants were more likely to perform the following activities: lecture to community groups about chemical dependency; participate in a pharmacists' recovery program; provide…

Chemical Composition, antioxidant activity, functional properties and ...

African Journals Online (AJOL)

Chemical Composition, antioxidant activity, functional properties and inhibitory action of unripe plantain ( M. Paradisiacae ) flour. ... of dry matter (48.00 ± 3.96%) and starch (31.10 ± 0.44%) but was low in phenol (1.42 ± 0.03%), protein (3.15 ± 0.042%), ash (5.50 ± 0.42%) and total soluble sugar (0.64 ± 0.001%) (p < 0.05).

Chemical composition and larvicidal activity of Zanthoxylum gilletii ...

African Journals Online (AJOL)

The essential oil was extracted by hydro-distillation, and its chemical compositions determined by gas chromatography mass spectrometry. The oil was dominated by sesquiterpenes and monoterpenes which accounted for 38.30 and 34.00%, respectively. The oil showed good activity against A. gambiae and recorded LC50 ...

Chemical Characterization, Antioxidant and Enzymatic Activity of Brines from Scandinavian Marinated Herring Products

DEFF Research Database (Denmark)

Gringer, Nina; Osman, Ali; Nielsen, Henrik Hauch

2014-01-01

Brines generated during the last marination step in the production of marinated herring (Clupea harengus) were chemically characterized and analyzed for antioxidant and enzyme activities. The end-products were vinegar cured, spice cured and traditional barrel-salted herring with either salt...... or spices. The chemical characterization encompassed pH, dry matter, ash, salt, fatty acids, protein, polypeptide pattern, iron and nitrogen. The antioxidant activity was tested with three assays measuring: iron chelation, reducing power and radical scavenging activity. The enzymatic activity for peroxidase...

Retinyl β-glucoronide: its occurrence in human serum, chemical synthesis and biological activity

International Nuclear Information System (INIS)

Barua, A.B.; Batres, R.O.; Olson, J.A.

1986-01-01

When retinol is administered to rats, retinyl and retinoyl β-glucuronides appear in the bile. Retinyl or retinoyl β-glucuronide is also synthesized in vitro when rat liver microsomes are incubated with uridinediphosphoglucuronic acid and either retinol or retinoic acid. Retinoyl β-glucuronide, a major metabolite of retinoic acid in a number of tissues, is highly active biologically, has been chemically synthesized, and is found in human blood. The physiological significance of the glucuronides of vitamin A are not known yet. To investigate further its metabolism and possible physiological role, retinyl β-glucuronide was chemically synthesized from retinol and characterized by study of its ultra-violet spectrum (γ/sub max/ 325 nm in methanol, 329 nm in water), 1 H-NMR and mass spectra. Retinyl β-glucuronide was extensively hydrolyzed by bacterial β-glucuronidase to retinol. Retinyl β-glucuronide is soluble in water and was detected in significant amounts in the serum of healthy human adults. The biological activity of synthetic retinyl β-glucuronide was determined in rats by the rat growth bioassay method

Fault Diagnosis Based on Chemical Sensor Data with an Active Deep Neural Network

Science.gov (United States)

Jiang, Peng; Hu, Zhixin; Liu, Jun; Yu, Shanen; Wu, Feng

2016-01-01

Big sensor data provide significant potential for chemical fault diagnosis, which involves the baseline values of security, stability and reliability in chemical processes. A deep neural network (DNN) with novel active learning for inducing chemical fault diagnosis is presented in this study. It is a method using large amount of chemical sensor data, which is a combination of deep learning and active learning criterion to target the difficulty of consecutive fault diagnosis. DNN with deep architectures, instead of shallow ones, could be developed through deep learning to learn a suitable feature representation from raw sensor data in an unsupervised manner using stacked denoising auto-encoder (SDAE) and work through a layer-by-layer successive learning process. The features are added to the top Softmax regression layer to construct the discriminative fault characteristics for diagnosis in a supervised manner. Considering the expensive and time consuming labeling of sensor data in chemical applications, in contrast to the available methods, we employ a novel active learning criterion for the particularity of chemical processes, which is a combination of Best vs. Second Best criterion (BvSB) and a Lowest False Positive criterion (LFP), for further fine-tuning of diagnosis model in an active manner rather than passive manner. That is, we allow models to rank the most informative sensor data to be labeled for updating the DNN parameters during the interaction phase. The effectiveness of the proposed method is validated in two well-known industrial datasets. Results indicate that the proposed method can obtain superior diagnosis accuracy and provide significant performance improvement in accuracy and false positive rate with less labeled chemical sensor data by further active learning compared with existing methods. PMID:27754386

Fault Diagnosis Based on Chemical Sensor Data with an Active Deep Neural Network

Directory of Open Access Journals (Sweden)

Peng Jiang

2016-10-01

Full Text Available Big sensor data provide significant potential for chemical fault diagnosis, which involves the baseline values of security, stability and reliability in chemical processes. A deep neural network (DNN with novel active learning for inducing chemical fault diagnosis is presented in this study. It is a method using large amount of chemical sensor data, which is a combination of deep learning and active learning criterion to target the difficulty of consecutive fault diagnosis. DNN with deep architectures, instead of shallow ones, could be developed through deep learning to learn a suitable feature representation from raw sensor data in an unsupervised manner using stacked denoising auto-encoder (SDAE and work through a layer-by-layer successive learning process. The features are added to the top Softmax regression layer to construct the discriminative fault characteristics for diagnosis in a supervised manner. Considering the expensive and time consuming labeling of sensor data in chemical applications, in contrast to the available methods, we employ a novel active learning criterion for the particularity of chemical processes, which is a combination of Best vs. Second Best criterion (BvSB and a Lowest False Positive criterion (LFP, for further fine-tuning of diagnosis model in an active manner rather than passive manner. That is, we allow models to rank the most informative sensor data to be labeled for updating the DNN parameters during the interaction phase. The effectiveness of the proposed method is validated in two well-known industrial datasets. Results indicate that the proposed method can obtain superior diagnosis accuracy and provide significant performance improvement in accuracy and false positive rate with less labeled chemical sensor data by further active learning compared with existing methods.

76 FR 7841 - Agency Information Collection Activities; Proposed Collections; Toxic Chemical Release Reporting...

Science.gov (United States)

2011-02-11

... agencies, and others to promote reductions in toxic chemical releases. Industrial facilities use the TRI... Activities; Proposed Collections; Toxic Chemical Release Reporting; Request for Comments on Proposed Renewal... the individual listed in the preceding FOR FURTHER INFORMATION CONTACT section. Title: Toxic Chemical...

Textural and chemical characterization of activated carbon prepared from shell of african palm (Elaeis guineensis by chemical activation with CaCl2 and MgCl2

Directory of Open Access Journals (Sweden)

Sergio Acevedo

2015-09-01

Full Text Available Activated carbons through chemical activation of African palm shells (Elaeis guineensis with magnesium chloride and calcium chloride solutions at different concentrations were obtained. The prepared materials were characterized textural and chemically. The results show that activated carbons with higher values of surface area and pore volume are obtained when solutions with lower concentrations of the activating agent are used. The obtained activated carbons have surface areas and pore volumes with values between 10 and 501 m2 /g and 0.01 and 0.29 cm3 /g respectively. Immersion enthalpies values of solids in water were between -14.3 and -32.8 J/g and benzene between -13.9 and -38.6 J/g. Total acidity and basicity of the activated carbons had values between 23 and 262 μmol/g 123 and 1724 μmol/g respectively. pH at the point of zero charge was also determined with values between 4.08 and 9.92 for set of activated carbons . The results show that activation with CaCl2 and MgCl2 salts produce activated carbons with pores in the range of mesopores for facilitate entry of the adsorbate into the materials.

Structure activity relationships to assess new chemicals under TSCA

Energy Technology Data Exchange (ETDEWEB)

Auletta, A.E. [Environmental Protection Agency, Washington, DC (United States)

1990-12-31

Under Section 5 of the Toxic Substances Control Act (TSCA), manufacturers must notify the US Environmental Protection Agency (EPA) 90 days before manufacturing, processing, or importing a new chemical substance. This is referred to as a premanufacture notice (PMN). The PMN must contain certain information including chemical identity, production volume, proposed uses, estimates of exposure and release, and any health or environmental test data that are available to the submitter. Because there is no explicit statutory authority that requires testing of new chemicals prior to their entry into the market, most PMNs are submitted with little or no data. As a result, EPA has developed special techniques for hazard assessment of PMN chemicals. These include (1) evaluation of available data on the chemical itself, (2) evaluation of data on analogues of the PMN, or evaluation of data on metabolites or analogues of metabolites of the PMN, (3) use of quantitative structure activity relationships (QSARs), and (4) knowledge and judgement of scientific assessors in the interpretation and integration of the information developed in the course of the assessment. This approach to evaluating potential hazards of new chemicals is used to identify those that are most in need of addition review of further testing. It should not be viewed as a replacement for testing. 4 tabs.

Native chemical ligation at Asx-Cys, Glx-Cys: chemical synthesis and high-resolution X-ray structure of ShK toxin by racemic protein crystallography.

Science.gov (United States)

Dang, Bobo; Kubota, Tomoya; Mandal, Kalyaneswar; Bezanilla, Francisco; Kent, Stephen B H

2013-08-14

We have re-examined the utility of native chemical ligation at -Gln/Glu-Cys- [Glx-Cys] and -Asn/Asp-Cys- [Asx-Cys] sites. Using the improved thioaryl catalyst 4-mercaptophenylacetic acid (MPAA), native chemical ligation could be performed at -Gln-Cys- and Asn-Cys- sites without side reactions. After optimization, ligation at a -Glu-Cys- site could also be used as a ligation site, with minimal levels of byproduct formation. However, -Asp-Cys- is not appropriate for use as a site for native chemical ligation because of formation of significant amounts of β-linked byproduct. The feasibility of native chemical ligation at -Gln-Cys- enabled a convergent total chemical synthesis of the enantiomeric forms of the ShK toxin protein molecule. The D-ShK protein molecule was ~50,000-fold less active in blocking the Kv1.3 channel than the L-ShK protein molecule. Racemic protein crystallography was used to obtain high-resolution X-ray diffraction data for ShK toxin. The structure was solved by direct methods and showed significant differences from the previously reported NMR structures in some regions of the ShK protein molecule.

Can vaccinia virus be replaced by MVA virus for testing virucidal activity of chemical disinfectants?

Directory of Open Access Journals (Sweden)

Rapp Ingrid

2010-06-01

Full Text Available Abstract Background Vaccinia virus strain Lister Elstree (VACV is a test virus in the DVV/RKI guidelines as representative of the stable enveloped viruses. Since the potential risk of laboratory-acquired infections with VACV persists and since the adverse effects of vaccination with VACV are described, the replacement of VACV by the modified vaccinia Ankara strain (MVA was studied by testing the activity of different chemical biocides in three German laboratories. Methods The inactivating properties of different chemical biocides (peracetic acid, aldehydes and alcohols were tested in a quantitative suspension test according to the DVV/RKI guideline. All tests were performed with a protein load of 10% fetal calf serum with both viruses in parallel using different concentrations and contact times. Residual virus was determined by endpoint dilution method. Results The chemical biocides exhibited similar virucidal activity against VACV and MVA. In three cases intra-laboratory differences were determined between VACV and MVA - 40% (v/v ethanol and 30% (v/v isopropanol are more active against MVA, whereas MVA seems more stable than VACV when testing with 0.05% glutardialdehyde. Test accuracy across the three participating laboratories was high. Remarkably inter-laboratory differences in the reduction factor were only observed in two cases. Conclusions Our data provide valuable information for the replacement of VACV by MVA for testing chemical biocides and disinfectants. Because MVA does not replicate in humans this would eliminate the potential risk of inadvertent inoculation with vaccinia virus and disease in non-vaccinated laboratory workers.

N2O decomposition over Fe/ZSM-5: reversible generation of highly active cationic Fe species

NARCIS (Netherlands)

Zhu, Q.; Hensen, E.J.M.; Mojet, B.L.; Wolput, van J.H.M.C.; Santen, van R.A.

2002-01-01

Fe-oxide species in Fe/ZSM-5 (prepared by chemical vapor deposition of FeCl3)-active in N2O decomposition-react with zeolite protons during high temperature calcination to give highly active cationic Fe species, this transformation being reversible upon exposure to water vapor at lower temperature

Effect of textural and chemical characteristics of activated carbons on phenol adsorption in aqueous solutions

OpenAIRE

Vargas Diana P.; Giraldo Liliana; Moreno-Piraján Juan Carlos

2017-01-01

The effect of textural and chemical properties such as: surface area, pore volume and chemical groups content of the granular activated carbon and monoliths on phenol adsorption in aqueous solutions was studied. Granular activated carbon and monolith samples were produced by chemical activation. They were characterized by using N2 adsorption at 77 K, CO2 adsorption at 273 K, Boehm Titrations and immersion calorimetry in phenol solutions. Microporous materials with different pore size distribu...

High resolution NMR theory and chemical applications

CERN Document Server

Becker, Edwin D

2012-01-01

High Resolution NMR: Theory and Chemical Applications discusses the principles and theory of nuclear magnetic resonance and how this concept is used in the chemical sciences. This book is written at an intermediate level, with mathematics used to augment verbal descriptions of the phenomena. This text pays attention to developing and interrelating four approaches - the steady state energy levels, the rotating vector picture, the density matrix, and the product operator formalism. The style of this book is based on the assumption that the reader has an acquaintance with the general principles of quantum mechanics, but no extensive background in quantum theory or proficiency in mathematics is required. This book begins with a description of the basic physics, together with a brief account of the historical development of the field. It looks at the study of NMR in liquids, including high resolution NMR in the solid state and the principles of NMR imaging and localized spectroscopy. This book is intended to assis...

Thermo-Chemical Conversion of Microwave Activated Biomass Mixtures

Science.gov (United States)

Barmina, I.; Kolmickovs, A.; Valdmanis, R.; Vostrikovs, S.; Zake, M.

2018-05-01

Thermo-chemical conversion of microwave activated wheat straw mixtures with wood or peat pellets is studied experimentally with the aim to provide more effective application of wheat straw for heat energy production. Microwave pre-processing of straw pellets is used to provide a partial decomposition of the main constituents of straw and to activate the thermo-chemical conversion of wheat straw mixtures with wood or peat pellets. The experimental study includes complex measurements of the elemental composition of biomass pellets (wheat straw, wood, peat), DTG analysis of their thermal degradation, FTIR analysis of the composition of combustible volatiles entering the combustor, the flame temperature, the heat output of the device and composition of the products by comparing these characteristics for mixtures with unprocessed and mw pre-treated straw pellets. The results of experimental study confirm that mw pre-processing of straw activates the thermal decomposition of mixtures providing enhanced formation of combustible volatiles. This leads to improvement of the combustion conditions in the flame reaction zone, completing thus the combustion of volatiles, increasing the flame temperature, the heat output from the device, the produced heat energy per mass of burned mixture and decreasing at the same time the mass fraction of unburned volatiles in the products.

Utilization of turkey manure as granular activated carbon: physical, chemical and adsorptive properties.

Science.gov (United States)

Lima, Isabel; Marshall, Wayne E

2005-01-01

The high availability of large quantities of turkey manure generated from turkey production makes it an attractive feedstock for carbon production. Pelletized samples of turkey litter and cake were converted to granular activated carbons (GACs) by steam activation. Water flow rate and activation time were changed to produce a range of activation conditions. The GACs were characterized for select physical (yield, surface area, bulk density, attrition), chemical (pH, surface charge) and adsorptive properties (copper ion uptake). Carbon physical and adsorptive properties were dependent on activation time and quantity of steam used as activant. Yields varied from 23% to 37%, surface area varied from 248 to 472 m(2)/g and copper ion adsorption varied from 0.72 to 1.86 mmol Cu(2+)/g carbon. Copper ion adsorption greatly exceeded the values for two commercial GACs. GACs from turkey litter and cake show considerable potential to remove metal ions from water.

Thermal analysis of physical and chemical changes occuring during regeneration of activated carbon

Directory of Open Access Journals (Sweden)

Radić Dejan B.

2017-01-01

Full Text Available High-temperature thermal process is a commercial way of regeneration of spent granular activated carbon. The paper presents results of thermal analysis conducted in order to examine high-temperature regeneration of spent activated carbon, produced from coconut shells, previously used in drinking water treatment. Results of performed thermogravimetric analysis, derivative thermogravimetric analysis, and differential thermal analysis, enabled a number of hypotheses to be made about different phases of activated carbon regeneration, values of characteristic parameters during particular process phases, as well as catalytic impact of inorganic materials on development of regeneration process. Samples of activated carbon were heated up to 1000°C in thermogravimetric analyser while maintaining adequate oxidizing or reducing conditions. Based on diagrams of thermal analysis for samples of spent activated carbon, temperature intervals of the first intense mass change phase (180-215°C, maximum of exothermic processes (400-450°C, beginning of the second intense mass change phase (635-700°C, and maximum endothermic processes (800-815°C were deter-mined. Analysing and comparing the diagrams of thermal analysis for new, previously regenerated and spent activated carbon, hypothesis about physical and chemical transformations of organic and inorganic adsorbate in spent activated carbon are given. Transformation of an organic adsorbate in the pores of activated carbon, results in loss of mass and an exothermic reaction with oxygen in the vapour phase. The reactions of inorganic adsorbate also result the loss of mass of activated carbon during its heating and endothermic reactions of their degradation at high temperatures.

Unraveling the structure and chemical mechanisms of highly oxygenated intermediates in oxidation of organic compounds

KAUST Repository

Wang, Zhandong

2017-11-28

Decades of research on the autooxidation of organic compounds have provided fundamental and practical insights into these processes; however, the structure of many key autooxidation intermediates and the reactions leading to their formation still remain unclear. This work provides additional experimental evidence that highly oxygenated intermediates with one or more hydroperoxy groups are prevalent in the autooxidation of various oxygenated (e.g., alcohol, aldehyde, keto compounds, ether, and ester) and nonoxygenated (e.g., normal alkane, branched alkane, and cycloalkane) organic compounds. These findings improve our understanding of autooxidation reaction mechanisms that are routinely used to predict fuel ignition and oxidative stability of liquid hydrocarbons, while also providing insights relevant to the formation mechanisms of tropospheric aerosol building blocks. The direct observation of highly oxygenated intermediates for the autooxidation of alkanes at 500–600 K builds upon prior observations made in atmospheric conditions for the autooxidation of terpenes and other unsaturated hydrocarbons; it shows that highly oxygenated intermediates are stable at conditions above room temperature. These results further reveal that highly oxygenated intermediates are not only accessible by chemical activation but also by thermal activation. Theoretical calculations on H-atom migration reactions are presented to rationalize the relationship between the organic compound’s molecular structure (n-alkane, branched alkane, and cycloalkane) and its propensity to produce highly oxygenated intermediates via extensive autooxidation of hydroperoxyalkylperoxy radicals. Finally, detailed chemical kinetic simulations demonstrate the influence of these additional reaction pathways on the ignition of practical fuels.

Unraveling the structure and chemical mechanisms of highly oxygenated intermediates in oxidation of organic compounds

KAUST Repository

Wang, Zhandong; Popolan-Vaida, Denisia M.; Chen, Bingjie; Moshammer, Kai; Mohamed, Samah; Wang, Heng; Sioud, Salim; Raji, Misjudeen; Kohse-Hö inghaus, Katharina; Hansen, Nils; Dagaut, Philippe; Leone, Stephen R.; Sarathy, Mani

2017-01-01

Decades of research on the autooxidation of organic compounds have provided fundamental and practical insights into these processes; however, the structure of many key autooxidation intermediates and the reactions leading to their formation still remain unclear. This work provides additional experimental evidence that highly oxygenated intermediates with one or more hydroperoxy groups are prevalent in the autooxidation of various oxygenated (e.g., alcohol, aldehyde, keto compounds, ether, and ester) and nonoxygenated (e.g., normal alkane, branched alkane, and cycloalkane) organic compounds. These findings improve our understanding of autooxidation reaction mechanisms that are routinely used to predict fuel ignition and oxidative stability of liquid hydrocarbons, while also providing insights relevant to the formation mechanisms of tropospheric aerosol building blocks. The direct observation of highly oxygenated intermediates for the autooxidation of alkanes at 500–600 K builds upon prior observations made in atmospheric conditions for the autooxidation of terpenes and other unsaturated hydrocarbons; it shows that highly oxygenated intermediates are stable at conditions above room temperature. These results further reveal that highly oxygenated intermediates are not only accessible by chemical activation but also by thermal activation. Theoretical calculations on H-atom migration reactions are presented to rationalize the relationship between the organic compound’s molecular structure (n-alkane, branched alkane, and cycloalkane) and its propensity to produce highly oxygenated intermediates via extensive autooxidation of hydroperoxyalkylperoxy radicals. Finally, detailed chemical kinetic simulations demonstrate the influence of these additional reaction pathways on the ignition of practical fuels.

Coupling chemical and biological catalysis: a flexible paradigm for producing biobased chemicals.

Science.gov (United States)

Schwartz, Thomas J; Shanks, Brent H; Dumesic, James A

2016-04-01

Advances in metabolic engineering have allowed for the development of new biological catalysts capable of selectively de-functionalizing biomass to yield platform molecules that can be upgraded to biobased chemicals using high efficiency continuous processing allowed by heterogeneous chemical catalysis. Coupling these disciplines overcomes the difficulties of selectively activating COH bonds by heterogeneous chemical catalysis and producing petroleum analogues by biological catalysis. We show that carboxylic acids, pyrones, and alcohols are highly flexible platforms that can be used to produce biobased chemicals by this approach. More generally, we suggest that molecules with three distinct functionalities may represent a practical upper limit on the extent of functionality present in the platform molecules that serve as the bridge between biological and chemical catalysis. Copyright © 2016 Elsevier Ltd. All rights reserved.

Efficacy and safety of superficial chemical peeling in treatment of active acne vulgaris.

Science.gov (United States)

Al-Talib, Hassanain; Al-Khateeb, Alyaa; Hameed, Ayad; Murugaiah, Chandrika

2017-01-01

Acne vulgaris is an extremely common condition affecting the pilosebaceous unit of the skin and characterized by presence of comedones, papules, pustules, nodules, cysts, which might result in permanent scars. Acne vulgaris commonly involve adolescents and young age groups. Active acne vulgaris is usually associated with several complications like hyper or hypopigmentation, scar formation and skin disfigurement. Previous studies have targeted the efficiency and safety of local and systemic agents in the treatment of active acne vulgaris. Superficial chemical peeling is a skin-wounding procedure which might cause some potentially undesirable adverse events. This study was conducted to review the efficacy and safety of superficial chemical peeling in the treatment of active acne vulgaris. It is a structured review of an earlier seven articles meeting the inclusion and exclusion criteria. The clinical assessments were based on pretreatment and post-treatment comparisons and the role of superficial chemical peeling in reduction of papules, pustules and comedones in active acne vulgaris. This study showed that almost all patients tolerated well the chemical peeling procedures despite a mild discomfort, burning, irritation and erythema have been reported; also the incidence of major adverse events was very low and easily manageable. In conclusion, chemical peeling with glycolic acid is a well-tolerated and safe treatment modality in active acne vulgaris while salicylic acid peels is a more convenient for treatment of darker skin patients and it showed significant and earlier improvement than glycolic acid.

Physico-chemical studies and evaluation of diuretic activity of Cucurbita maxima

Directory of Open Access Journals (Sweden)

Venkattapuram Sampath Saravanan

2012-12-01

Full Text Available In this study physico-chemical nature and diuretic activity was evaluated to establish the purity and diuretic activity by comparing with the standard acetazolamide. Pulp of Cucurbita maxima is a common cost effective Indian dish, rich in nutrients. Physico-chemical parameters like ash values, extractive values and loss on drying were performed to find the purity. The hydro-alcoholic extract was prepared by extracting the powder in soxhlet apparatus for 36 hrs. The laboratory qualitative analysis was done and constituents like carbohydrates, proteins, lipids, flavonoids, alkaloids and vitamin C were found. The two doses of extract (150 and 300 mg/kg were given to the rats. Group I served as control, Group II served as standard and Group III and IV served as test. Electrolytes and urine volume was measured after 5 hrs of treatment and the same was compared with the control and the standard drug acetazolamide. Physico-chemical parameters were in the limit and the extract shows significant (p<0.01 diuretic activity at the dose of 300 mg/kg when compared with control.

In vitro antimicrobial activity and chemical composition of the essential oil of Foeniculum vulgare Mill.

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Aprotosoaie, Ana Clara; Hăncianu, Monica; Poiată, Antonia; Tuchiluş, Cristina; Spac, A; Cioană, Oana; Gille, Elvira; Stănescu, Ursula

2008-01-01

In our study, four samples of volatile oil from Foeniculum vulgare, cultivated in different pedoclimatic conditions, were investigated for their antimicrobial activity and chemical composition. Organisms. Staphylococcus aureus ATCC 25923, Bacillus cereus, Pseudomonas aeruginosa, Escherichia coli ATCC 25922, Candida albicans were included in the report. Antimicrobial susceptibility tests. The comparative inhibitory activity of volatile oil samples with other antimicrobial agents was quantitative determined by minimum inhibitory concentration (MIC). Oil samples are the volatile oils extracted by steam distillation, from two ecological vegetative populations of Foeniculum vulgare. Gas chromatography coupled to mass spectrometry (GC-MS) was used to determine the chemical composition of the essential oils. All oil samples have a good activity against E. coli and S. aureus at low concentrations. Against B. cereus and P. aeruginosa these oil samples are less active. The oil samples were generally bactericidal at a concentration up to twofold or fourfold higher than the MIC value. Significantly synergic activity with amoxicillin or tetracycline showed all fennel samples against E. coli, Sarcina lutea and B. subtilis strains. Fennel oil samples have shown high activity against Candida albicans. No significant antimicrobial activity variations were observed for Foeniculum vulgare volatile oil samples obtained after two or three years cultivation period. The most important identified compounds in all samples of fennel volatile oils were trans-anethole, estragole, fenchone, limonene, alpha-pinene and gamma-terpinene.

The Chemical Characterization of Nigerian Propolis samples and Their Activity Against Trypanosoma brucei.

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Omar, Ruwida; Igoli, John O; Zhang, Tong; Gray, Alexander I; Ebiloma, Godwin U; Clements, Carol J; Fearnley, James; Edrada Ebel, RuAngeli; Paget, Tim; de Koning, Harry P; Watson, David G

2017-04-19

Profiling of extracts from twelve propolis samples collected from eight regions in Nigeria was carried out using high performance liquid chromatography (LC) coupled with evaporative light scattering (ELSD), ultraviolet detection (UV) and mass spectrometry (MS), gas chromatography mass spectrometry (GC-MS) and nuclear magnetic resonance spectroscopy (NMR). Principal component analysis (PCA) of the processed LC-MS data demonstrated the varying chemical composition of the samples. Most of the samples were active against Trypanosoma b. brucei with the highest activity being in the samples from Southern Nigeria. The more active samples were fractionated in order to isolate the component(s) responsible for their activity using medium pressure liquid chromatography (MPLC). Three xanthones, 1,3,7-trihydroxy-2,8-di-(3-methylbut-2-enyl)xanthone, 1,3,7-trihydroxy-4,8-di-(3-methylbut-2-enyl)xanthone a previously undescribed xanthone and three triterpenes: ambonic acid, mangiferonic acid and a mixture of α-amyrin with mangiferonic acid (1:3) were isolated and characterised by NMR and LC-MS. These compounds all displayed strong inhibitory activity against T.b. brucei but none of them had higher activity than the crude extracts. Partial least squares (PLS) modelling of the anti-trypanosomal activity of the sample extracts using the LC-MS data indicated that high activity in the extracts, as judged from LCMS 2 data, could be correlated to denticulatain isomers in the extracts.

Analysis and classification of physical and chemical methods of fuel activation

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Fedorchak Viktoriya

2015-12-01

Full Text Available The offered article explores various research studies, developed patents in terms of physical and chemical approaches to the activation of fuel. In this regard, national and foreign researches in the field of fuels activators with different principles of action were analysed, evaluating their pros and cons. The article also intends to classify these methods and compare them regarding diverse desired results and types of fuels used. In terms of physical and chemical influences on fuels and the necessity of making constructive changes in the fuel system of internal combustion engines, an optimal approach was outlined.

Antioxidant Activity of a Geopropolis from Northeast Brazil: Chemical Characterization and Likely Botanical Origin

OpenAIRE

Ferreira, Joselena M.; Fernandes-Silva, Caroline C.; Salatino, Antonio; Message, Dejair; Negri, Giuseppina

2017-01-01

Geopropolis is a product containing wax, plant resin, and soil particles. It is elaborated by stingless bees of tribe Meliponini. Methanol extracts of sample of geopropolis produced by Scaptotrigona postica (“mandaguari”) in the state of Rio Grande do Norte (RN, northeast Brazil) were analyzed for the determination of standard parameters (total phenols, total flavonoids, and radical scavenging activity) and chemical characterization by HPLC-DAD-MS/MS analysis. The sample analyzed has high con...

Toxicity evaluation and prediction of toxic chemicals on activated sludge system.

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Cai, Bijing; Xie, Li; Yang, Dianhai; Arcangeli, Jean-Pierre

2010-05-15

The gaps of data for evaluating toxicity of new or overloaded organic chemicals on activated sludge system resulted in the requirements for methodology of toxicity estimation. In this study, 24 aromatic chemicals typically existed in the industrial wastewater were selected and classified into three groups of benzenes, phenols and anilines. Their toxicity on activated sludge was then investigated. Two indexes of IC(50-M) and IC(50-S) were determined respectively from the respiration rates of activated sludge with different toxicant concentration at mid-term (24h) and short-term (30min) time intervals. Experimental results showed that the group of benzenes was the most toxic, followed by the groups of phenols and anilines. The values of IC(50-M) of the tested chemicals were higher than those of IC(50-S). In addition, quantitative structure-activity relationships (QSARs) models developed from IC(50-M) were more stable and accurate than those of IC(50-S). The multiple linear models based on molecular descriptors and K(ow) presented better reliability than single linear models based on K(ow). Among these molecular descriptors, E(lumo) was the most important impact factor for evaluation of mid-term toxicity. Copyright (c) 2009 Elsevier B.V. All rights reserved.

Highly Crumpled All-Carbon Transistors for Brain Activity Recording.

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Yang, Long; Zhao, Yan; Xu, Wenjing; Shi, Enzheng; Wei, Wenjing; Li, Xinming; Cao, Anyuan; Cao, Yanping; Fang, Ying

2017-01-11

Neural probes based on graphene field-effect transistors have been demonstrated. Yet, the minimum detectable signal of graphene transistor-based probes is inversely proportional to the square root of the active graphene area. This fundamentally limits the scaling of graphene transistor-based neural probes for improved spatial resolution in brain activity recording. Here, we address this challenge using highly crumpled all-carbon transistors formed by compressing down to 16% of its initial area. All-carbon transistors, chemically synthesized by seamless integration of graphene channels and hybrid graphene/carbon nanotube electrodes, maintained structural integrity and stable electronic properties under large mechanical deformation, whereas stress-induced cracking and junction failure occurred in conventional graphene/metal transistors. Flexible, highly crumpled all-carbon transistors were further verified for in vivo recording of brain activity in rats. These results highlight the importance of advanced material and device design concepts to make improvements in neuroelectronics.

Nonlinear processes in laser heating of chemically active media

Energy Technology Data Exchange (ETDEWEB)

Bunkin, F V; Kirichenko, N A; Luk' yanchuk, B S

1984-08-01

After it had been discovered and in due measure physically comprehended that numerous nontrivial phenomena observed during laser heating of chemically active media are caused primarily by self-stress of laser radiation due to the chemical intertial nonlinearity of the medium, an approach was found for solving problems of laser thermochemistry that is most adequate from the mathematical (and physical) standpoint: the approach of the theory of nonlinear oscillations in point systems and distributed systems. This approach has provided a uniform viewpoint for examination of a variety of phenomena of spatiotemporal self-organization of chemically active media under the effect of laser radiation, qualitative, and in some cases quantitative description of such phenomena as the onset of thermochemical instability, self-oscillations, various spatial structures and the like. Evidently it can be rightly considered that at this juncture a definite stage has been completed in the development of laser thermochemistry marked by the creation of an ideology, method and overall approach to interpretation of the most diverse phenomena under conditions of actual physical experiments. References to the numerous studies that make up the content of this stage of development of laser thermochemistry are to be found in survey papers. 48 references, 10 figures.

Pair Interaction of Catalytical Sphere Dimers in Chemically Active Media

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Jing-Min Shi

2018-01-01

Full Text Available We study the pair dynamics of two self-propelled sphere dimers in the chemically active medium in which a cubic autocatalytic chemical reaction takes place. Concentration gradient around the dimer, created by reactions occurring on the catalytic sphere surface and responsible for the self-propulsion, is greatly influenced by the chemical activities of the environment. Consequently, the pair dynamics of two dimers mediated by the concentration field are affected. In the particle-based mesoscopic simulation, we combine molecular dynamics (MD for potential interactions and reactive multiparticle collision dynamics (RMPC for solvent flow and bulk reactions. Our results indicate three different configurations between a pair of dimers after the collision, i.e., two possible scenarios of bound dimer pairs and one unbound dimer pair. A phase diagram is sketched as a function of the rate coefficients of the environment reactions. Since the pair interactions are the basic elements of larger scale systems, we believe the results may shed light on the understanding of the collective dynamics.

Assessment of the DNA damaging potential of environmental chemicals using a quantitative high-throughput screening approach to measure p53 activation.

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Witt, Kristine L; Hsieh, Jui-Hua; Smith-Roe, Stephanie L; Xia, Menghang; Huang, Ruili; Zhao, Jinghua; Auerbach, Scott S; Hur, Junguk; Tice, Raymond R

2017-08-01

Genotoxicity potential is a critical component of any comprehensive toxicological profile. Compounds that induce DNA or chromosomal damage often activate p53, a transcription factor essential to cell cycle regulation. Thus, within the US Tox21 Program, we screened a library of ∼10,000 (∼8,300 unique) environmental compounds and drugs for activation of the p53-signaling pathway using a quantitative high-throughput screening assay employing HCT-116 cells (p53 +/+ ) containing a stably integrated β-lactamase reporter gene under control of the p53 response element (p53RE). Cells were exposed (-S9) for 16 hr at 15 concentrations (generally 1.2 nM to 92 μM) three times, independently. Excluding compounds that failed analytical chemistry analysis or were suspected of inducing assay interference, 365 (4.7%) of 7,849 unique compounds were concluded to activate p53. As part of an in-depth characterization of our results, we first compared them with results from traditional in vitro genotoxicity assays (bacterial mutation, chromosomal aberration); ∼15% of known, direct-acting genotoxicants in our library activated the p53RE. Mining the Comparative Toxicogenomics Database revealed that these p53 actives were significantly associated with increased expression of p53 downstream genes involved in DNA damage responses. Furthermore, 53 chemical substructures associated with genotoxicity were enriched in certain classes of p53 actives, for example, anthracyclines (antineoplastics) and vinca alkaloids (tubulin disruptors). Interestingly, the tubulin disruptors manifested unusual nonmonotonic concentration response curves suggesting activity through a unique p53 regulatory mechanism. Through the analysis of our results, we aim to define a role for this assay as one component of a comprehensive toxicological characterization of large compound libraries. Environ. Mol. Mutagen. 58:494-507, 2017. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Activation analysis. A basis for chemical similarity and classification

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Beeck, J OP de [Ghent Rijksuniversiteit (Belgium). Instituut voor Kernwetenschappen

1977-01-01

It is shown that activation analysis is especially suited to serve as a basis for determining the chemical similarity between samples defined by their trace-element concentration patterns. The general problem of classification and identification is discussed. The nature of possible classification structures and their appropriate clustering strategies is considered. A practical computer method is suggested and its application as well as the graphical representation of classification results are given. The possibility for classification using information theory is mentioned. Classification of chemical elements is discussed and practically realized after Hadamard transformation of the concentration variation patterns in a series of samples.

Neutron activation analysis for chemical characterization of Brazilian oxo-biodegradable plastics

International Nuclear Information System (INIS)

Mateus Eugenio Boscaro; De Nadai Fernandes, E.A.; Marcio Arruda Bacchi; Luis Gustavo Cofani dos Santos; Cofani dos Santos, S.N.S.; Sandra Mara Martins-Franchetti

2015-01-01

The chemical characterization of oxo-biodegradable plastic bags was performed by neutron activation analysis. The presence of several chemical elements (As, Br, Ca, Co, Cr, Fe, Hf, K, La, Na, Sb, Sc, Ta and Zn) with large variability of mass fractions amongst samples indicates that these plastics receive additives and may have been contaminated during manufacturing process thereby becoming potential environmental pollutants. (author)

Application of chemical arrays in screening elastase inhibitors.

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Gao, Feng; Du, Guan-Hua

2006-06-01

Protein chip technology provides a new and useful tool for high-throughput screening of drugs because of its high performance and low sample consumption. In order to screen elastase inhibitors on a large scale, we designed a composite microarray integrating enzyme chip containing chemical arrays on glass slides to screen for enzymatic inhibitors. The composite microarray includes an active proteinase film, screened chemical arrays distributed on the film, and substrate microarrays to demonstrate change of color. The detection principle is that elastase hydrolyzes synthetic colorless substrates and turns them into yellow products. Because yellow is difficult to detect, bromochlorophenol blue (BPB) was added into substrate solutions to facilitate the detection process. After the enzyme had catalyzed reactions for 2 h, effects of samples on enzymatic activity could be determined by detecting color change of the spots. When chemical samples inhibited enzymatic activity, substrates were blue instead of yellow products. If the enzyme retained its activity, the yellow color of the products combined with blue of BPB to make the spots green. Chromogenic differences demonstrated whether chemicals inhibited enzymatic activity or not. In this assay, 11,680 compounds were screened, and two valuable chemical hits were identified, which demonstrates that this assay is effective, sensitive and applicable for high-throughput screening (HTS).

Development of a New Decision Tree to Rapidly Screen Chemical Estrogenic Activities of Xenopus laevis.

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Wang, Ting; Li, Weiying; Zheng, Xiaofeng; Lin, Zhifen; Kong, Deyang

2014-02-01

During the last past decades, there is an increasing number of studies about estrogenic activities of the environmental pollutants on amphibians and many determination methods have been proposed. However, these determination methods are time-consuming and expensive, and a rapid and simple method to screen and test the chemicals for estrogenic activities to amphibians is therefore imperative. Herein is proposed a new decision tree formulated not only with physicochemical parameters but also a biological parameter that was successfully used to screen estrogenic activities of the chemicals on amphibians. The biological parameter, CDOCKER interaction energy (Ebinding ) between chemicals and the target proteins was calculated based on the method of molecular docking, and it was used to revise the decision tree formulated by Hong only with physicochemical parameters for screening estrogenic activity of chemicals in rat. According to the correlation between Ebinding of rat and Xenopus laevis, a new decision tree for estrogenic activities in Xenopus laevis is finally proposed. Then it was validated by using the randomly 8 chemicals which can be frequently exposed to Xenopus laevis, and the agreement between the results from the new decision tree and the ones from experiments is generally satisfactory. Consequently, the new decision tree can be used to screen the estrogenic activities of the chemicals, and combinational use of the Ebinding and classical physicochemical parameters can greatly improves Hong's decision tree. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Treatment of Active Acne Vulgaris by Chemical Peeling Using 88% Lactic Acid

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Khalifa E. Sharquie

2014-10-01

Full Text Available Introduction: The etiopathogenesis of acne vulgaris is multifactorial, and its therapy is prolonged course that might be not accepted by many patients. Most recently TCA 35% one session peeling gave complete clearance and full remission for active acne vulgaris. Lactic acid has been used effectively as therapeutic topical agents for many skin diseases. Aim: To evaluate the efficacy and safety of chemical peeling using 88% lactic acid solution in the treatment of active acne vulgaris. Material and Methods: This clinical, interventional, therapeutic study was done at the Department of Dermatology, Baghdad Teaching Hospital, during the period from October 2012 to October 2013. Twenty five patients with active acne vulgaris were included, 15 (60% females and 10 (40% males and their ages ranged from 16-36 (21.5000± 5.46279 years. Fifteen patients were associated with acne scars. Three chemical peels using 88% lactic acid solution was carried out two weeks apart for patients with active acne vulgaris with or without scarring. Scoring for active acne vulgaris and acne scar was done for each case before and after operation to evaluate the severity of acne and the degree of scar before and after treatment. All patients were with Fitzpatrick’s skin types III and IV. Patients were followed up every two weeks during period of therapy and monthly for 3 months after stopping the treatment. Results: Twenty five patients with active acne vulgaris were treated with 3 sessions of lactic acid, fifteen patients had associated acne scar. Scoring for active acne vulgaris including papules and pustules showed highly statistically significant reduction after 2 weeks of therapy (p=0.0001, after 4 weeks (p=0.0001and after 6 weeks (p=0.0001, with percent reduction 87.2% for papules and 94% for pustules after end of sessions while after 3 months follow up the reduction rate for papules 93.8% and p-value (p=0.001 and for pustules 97.6% and (p=0.0001. While the scarring

A chemically activated graphene-encapsulated LiFePO4 composite for high-performance lithium ion batteries.

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Ha, Jeonghyun; Park, Seung-Keun; Yu, Seung-Ho; Jin, Aihua; Jang, Byungchul; Bong, Sungyool; Kim, In; Sung, Yung-Eun; Piao, Yuanzhe

2013-09-21

A composite of modified graphene and LiFePO4 has been developed to improve the speed of charging-discharging and the cycling stability of lithium ion batteries using LiFePO4 as a cathode material. Chemically activated graphene (CA-graphene) has been successfully synthesized via activation by KOH. The as-prepared CA-graphene was mixed with LiFePO4 to prepare the composite. Microscopic observation and nitrogen sorption analysis have revealed the surface morphologies of CA-graphene and the CA-graphene/LiFePO4 composite. Electrochemical properties have also been investigated after assembling coin cells with the CA-graphene/LiFePO4 composite as a cathode active material. Interestingly, the CA-graphene/LiFePO4 composite has exhibited better electrochemical properties than the conventional graphene/LiFePO4 composite as well as bare LiFePO4, including exceptional speed of charging-discharging and excellent cycle stability. That is because the CA-graphene in the composite provides abundant porous channels for the diffusion of lithium ions. Moreover, it acts as a conducting network for easy charge transfer and as a divider, preventing the aggregation of LiFePO4 particles. Owing to these properties of CA-graphene, LiFePO4 could demonstrate enhanced and stably long-lasting electrochemical performance.

Influence of chemical sprinkle on the processes in activated tank of wastewater treatment

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Milan Búgel

2012-12-01

Full Text Available The research deals with processes occurring in the activation tank during the snow-melt inflow of chemical component of roadsalt. Chemical composition of the suspension in the activation tank is changing following the metabolism of organisms and chemicalcomposition of the influent wastewater. Sludge and wastewater in nitrification tail of the activation tank has higher conductivity, highercontents of chloride, higher sludge index and other characteristics are changing during snow – melt. The amount of the inflow road saltis a determining factor of lyses of microorganism cells.

Chemical Composition and Biological Activities of Allium roseum L. var. grandiflorum Briq. Essential Oil.

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Touihri, Imen; Boukhris, Maher; Marrakchi, Naziha; Luis, José; Hanchi, Belgacem; Kallech-Ziri, Olfa

2015-01-01

Allium roseum L. (Alliaceae) endemic mediterranean specie was represented in the North Africa by 12 different taxa. In the present study, chemical composition, antiproliferative, antioxidant and antimicrobial activities of the essential oil extracted from A. roseum var. grandiflorum Briq. bulbs collected in the North of Tunisia were investigated. Chemical characterization has shown methyl methanethiosulfinate as major sulphurous compounds. A. roseum bulbs essential oil provides interesting antiproliferative activity against two human colonic adenocarcinoma HT29 and CACO2 cell lines in dose-dependent manner with a half-maximal inhibition (IC50) of 4.64 µg/mL and 8.22 µg/mL respectively. The antioxidant activity, as determined by FRAP assay, was 285 µmol equivalent Trolox/g of essential oil. The scavenging effect on DPPH radicals of essential oil was estimated as IC50 values at 156 µg/mL. The inhibition of superoxide anion production in a model of cancer cell lines was significant for both lines HT29 and CACO2 with IC50 of 20.25 µg/mL and 29.12 µg/mL respectively. Allium roseum essential oil exhibited antibacterial and antifungal activities with a high effectiveness against Candida albicans given by an MIC value of 0.019 mg/mL. This biological effect appears to be related mainly to the presence of organosulfur compounds.

AMDE-1 is a dual function chemical for autophagy activation and inhibition.

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Min Li

Full Text Available Autophagy is the process by which cytosolic components and organelles are delivered to the lysosome for degradation. Autophagy plays important roles in cellular homeostasis and disease pathogenesis. Small chemical molecules that can modulate autophagy activity may have pharmacological value for treating diseases. Using a GFP-LC3-based high content screening assay we identified a novel chemical that is able to modulate autophagy at both initiation and degradation levels. This molecule, termed as Autophagy Modulator with Dual Effect-1 (AMDE-1, triggered autophagy in an Atg5-dependent manner, recruiting Atg16 to the pre-autophagosomal site and causing LC3 lipidation. AMDE-1 induced autophagy through the activation of AMPK, which inactivated mTORC1 and activated ULK1. AMDE-1did not affect MAP kinase, JNK or oxidative stress signaling for autophagy induction. Surprisingly, treatment with AMDE-1 resulted in impairment in autophagic flux and inhibition of long-lived protein degradation. This inhibition was correlated with a reduction in lysosomal degradation capacity but not with autophagosome-lysosome fusion. Further analysis indicated that AMDE-1 caused a reduction in lysosome acidity and lysosomal proteolytic activity, suggesting that it suppressed general lysosome function. AMDE-1 thus also impaired endocytosis-mediated EGF receptor degradation. The dual effects of AMDE-1 on autophagy induction and lysosomal degradation suggested that its net effect would likely lead to autophagic stress and lysosome dysfunction, and therefore cell death. Indeed, AMDE-1 triggered necroptosis and was preferentially cytotoxic to cancer cells. In conclusion, this study identified a new class of autophagy modulators with dual effects, which can be explored for potential uses in cancer therapy.

Chemical features of Ganoderma polysaccharides with antioxidant, antitumor and antimicrobial activities.

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Ferreira, Isabel C F R; Heleno, Sandrina A; Reis, Filipa S; Stojkovic, Dejan; Queiroz, Maria João R P; Vasconcelos, M Helena; Sokovic, Marina

2015-06-01

Ganoderma genus comprises one of the most commonly studied species worldwide, Ganoderma lucidum. However, other Ganoderma species have been also reported as important sources of bioactive compounds. Polysaccharides are important contributors to the medicinal properties reported for Ganoderma species, as demonstrated by the numerous publications, including reviews, on this matter. Yet, what are the chemical features of Ganoderma polysaccharides that have bioactivity? In the present manuscript, the chemical features of Ganoderma polysaccharides with reported antioxidant, antitumor and antimicrobial activities (the most studied worldwide) are analyzed in detail. The composition of sugars (homo- versus hetero-glucans and other polysaccharides), type of glycosidic linkages, branching patterns, and linkage to proteins are discussed. Methods for extraction, isolation and identification are evaluated and, finally, the bioactivity of polysaccharidic extracts and purified compounds are discussed. The integration of data allows deduction of structure-activity relationships and gives clues to the chemical aspects involved in Ganoderma bioactivity. Copyright © 2014 Elsevier Ltd. All rights reserved.

Influence of copper nanoparticles on the physical-chemical properties of activated sludge.

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Hong Chen

Full Text Available The physical-chemical properties of activated sludge, such as flocculating ability, hydrophobicity, surface charge, settleability, dewaterability and bacteria extracellular polymer substances (EPS, play vital roles in the normal operation of wastewater treatment plants (WWTPs. The nanoparticles released from commercial products will enter WWTPs and can induce potential adverse effects on activated sludge. This paper focused on the effects of copper nanoparticles (CuNPs on these specific physical-chemical properties of activated sludge. It was found that most of these properties were unaffected by the exposure to lower CuNPs concentration (5 ppm, but different observation were made at higher CuNPs concentrations (30 and 50 ppm. At the higher CuNPs concentrations, the sludge surface charge increased and the hydrophobicity decreased, which were attributed to more Cu2+ ions released from the CuNPs. The carbohydrate content of EPS was enhanced to defense the toxicity of CuNPs. The flocculating ability was found to be deteriorated due to the increased cell surface charge, the decreased hydrophobicity, and the damaged cell membrane. The worsened flocculating ability made the sludge flocs more dispersed, which further increased the toxicity of the CuNPs by increasing the availability of the CuNPs to the bacteria present in the sludge. Further investigation indicated that the phosphorus removal efficiency decreased at higher CuNPs concentrations, which was consistent with the deteriorated physical-chemical properties of activated sludge. It seems that the physical-chemical properties can be used as an indicator for determining CuNPs toxicity to the bacteria in activated sludge. This work is important because bacteria toxicity effects to the activated sludge caused by nanoparticles may lead to the deteriorated treatment efficiency of wastewater treatment, and it is therefore necessary to find an easy way to indicate this toxicity.

The use of simultaneous chemical precipitation in modified activated ...

African Journals Online (AJOL)

The IAWQ Activated Sludge Model (ASM) No. 2 is a kinetic-based model and incorporates two simple processes for chemical precipitation and redissolution that are readily integrated with biological processes for carbon, nitrogen and phosphorus removal. This model was applied to experimental data collected as part of this ...

Chemical Composition, Cytotoxic and Antibacterial Activities of the Essential Oil from the Tunisian Ononis angustissima L. (Fabaceae).

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Ghribi, Lotfi; Ben Nejma, Aymen; Besbes, Malek; Harzalla-Skhiri, Fethia; Flamini, Guido; Ben Jannet, Hichem

2016-01-01

The chemical composition, cytotoxic and antibacterial activities of the hydrodistilled essential oil of the aerial parts of Ononis angustissima from south Tunisia has been evaluated. The oil yield was 0.04% (w/w). The chemical composition, determined by GC and GC-MS is reported for the first time. Forty-five components, accounting for 93.7% of the total oil have been identified. The oil was characterized by a high proportion of oxygenated sesquiterpenes (33.2%), followed by sesquiterpene hydrocarbons (6.3%) and apocarotenoids (10.3%). The main components of the oil were α-eudesmol (22.4%), 2-tridecanone (9.3%) and acetophenone (7.4%). The essential oil was tested for its possible cytotoxic activity towards the human cervical cell line HeLa using the MTT assay and the antibacterial activity against Pseudomonas aeruginosa, Escherichia coli, Enterococcus faecalis, Staphylococcus aureus and the clinical strain Acinetobacter sp. This oil exerted a cytotoxic activity with an IC50 of 0.53 ± 0.02 mg/mL and a significant antibacterial effect against P. aeruginosa and E. faecalis.

Current Chemical Risk Management Activities

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EPA's existing chemicals programs address pollution prevention, risk assessment, hazard and exposure assessment and/or characterization, and risk management for chemicals substances in commercial use.

Synthesis of electro-active manganese oxide thin films by plasma enhanced chemical vapor deposition

Energy Technology Data Exchange (ETDEWEB)

Merritt, Anna R. [Energetics Research Division, Naval Air Warfare Center Weapons Division, China Lake, CA 93555 (United States); Rajagopalan, Ramakrishnan [Department of Engineering, The Pennsylvania State University, Dubois, PA 15801 (United States); Materials Research Institute, The Pennsylvania State University, University Park, PA 16802 (United States); Carter, Joshua D. [Energetics Research Division, Naval Air Warfare Center Weapons Division, China Lake, CA 93555 (United States)

2014-04-01

The good stability, cyclability and high specific capacitance of manganese oxide (MnO{sub x}) has recently promoted a growing interest in utilizing MnO{sub x} in asymmetric supercapacitor electrodes. Several literature reports have indicated that thin film geometries of MnO{sub x} provide specific capacitances that are much higher than bulk MnO{sub x} powders. Plasma enhanced chemical vapor deposition (PECVD) is a versatile technique for the production of metal oxide thin films with high purity and controllable thickness. In this work, MnO{sub x} thin films deposited by PECVD from a methylcyclopentadienyl manganese tricarbonyl precursor are presented and the effect of processing conditions on the quality of MnO{sub x} films is described. The film purity and oxidation state of the MnO{sub x} films were studied by Fourier transform infrared spectroscopy and X-ray photoelectron spectroscopy. Preliminary electrochemical testing of MnO{sub x} films deposited on carbon fiber electrodes in aqueous electrolytes indicates that the PECVD synthesized films are electrochemically active. - Highlights: • Plasma enhanced chemical vapor deposition of manganese oxide thin films. • Higher plasma power and chamber pressure increase deposition rate. • Manganese oxide thin films are electrochemically active. • Best electrochemical performance observed for pure film with low stress • Lower capacitance observed at higher scan rates despite thin film geometry.

Improving chemical education from high school to college using a more hands-on approach

Science.gov (United States)

Ruddick, Kristie Winfield

In this work, various alternative teaching methods and activities for chemical education are developed, presented, and evaluated. In the first study, an original hands-on activity using LEGO® blocks to model ionic chemical formulas is presented together with quantitative and qualitative data regarding its educational effectiveness. Students explore cation to anion ratios using LEGO® blocks to represent trivalent, divalent and monovalent cations and anions. High school chemistry students who participated in the LEGO® lab showed significantly higher post-test scores than other students. The second study grows out of the creation of a computational lab module that is shown to significantly increase student learning in the subject of molecular orbital theory in first semester college General Chemistry. The third and final study presented is a course redesign project for college CHEM 1100, Preparation for General Chemistry. In this project the classroom is “flipped”. Students watch video lectures at home, and spend class time working with peers and the instructor on problem solving activities. The results presented here are one of the first quantitative studies showing the effectiveness of “flipping the classroom”. Students who were taught using the Reverse-Instruction (RI) method had significantly higher success in both the Preparation for General Chemistry course and traditionally taught General Chemistry I the following semester.

Sulfur dioxide adsorption by activated carbons having different textural and chemical properties

Energy Technology Data Exchange (ETDEWEB)

Nilgun Karatepe; Ilkun Orbak; Reha Yavuz; Ayse Ozyuguran [Istanbul Technical University, Istanbul (Turkey). Institute of Energy

2008-11-15

Activated carbons from Turkish lignite were prepared with different methods to investigate the influence of physico-chemical characteristics of the carbon materials on the sulfur dioxide (SO{sub 2}) adsorption. The effects of SO{sub 2} concentration, adsorption temperature, and sample particle size on adsorption were investigated using a thermogravimetric analysis system. An intraparticle diffusion model based on Knudsen diffusion and Freundlich isotherm (or Henry isotherm) was applied for predicting the amount of SO{sub 2} adsorbed. The textural and chemical properties of the activated carbon samples, resulted from the effects of activation conditions and demineralization of the carbon precursor, on the SO{sub 2} adsorption were also analyzed. 30 refs., 7 figs., 4 tabs.

75 FR 69630 - Impact of Implementation of the Chemical Weapons Convention on Commercial Activities Involving...

Science.gov (United States)

2010-11-15

... Biotechnology,'' calls for the President to certify to Congress on an annual basis that ``the legitimate commercial activities and interests of chemical, biotechnology, and pharmaceutical firms in the United States... commercial activities and interests of chemical, biotechnology, and pharmaceutical firms in the United States...

Insect-gene-activity detection system for chemical and biological warfare agents and toxic industrial chemicals

Science.gov (United States)

Mackie, Ryan S.; Schilling, Amanda S.; Lopez, Arturo M.; Rayms-Keller, Alfredo

2002-02-01

Detection of multiple chemical and biological weapons (CBW) agents and/or complex mixtures of toxic industrial chemicals (TIC) is imperative for both the commercial and military sectors. In a military scenario, a multi-CBW attack would create confusion, thereby delaying decontamination and therapeutic efforts. In the commercial sector, polluted sites invariably contain a mixture of TIC. Novel detection systems capable of detecting CBW and TIC are sorely needed. While it may be impossible to build a detector capable of discriminating all the possible combinations of CBW, a detection system capable of statistically predicting the most likely composition of a given mixture is within the reach of current emerging technologies. Aquatic insect-gene activity may prove to be a sensitive, discriminating, and elegant paradigm for the detection of CBW and TIC. We propose to systematically establish the expression patterns of selected protein markers in insects exposed to specific mixtures of chemical and biological warfare agents to generate a library of biosignatures of exposure. The predicting capabilities of an operational library of biosignatures of exposures will allow the detection of emerging novel or genetically engineered agents, as well as complex mixtures of chemical and biological weapons agents. CBW and TIC are discussed in the context of war, terrorism, and pollution.

Comparison of sugar molecule decomposition through glucose and fructose: a high-level quantum chemical study.

Energy Technology Data Exchange (ETDEWEB)

Assary, R. S.; Curtiss, L. A. (Center for Nanoscale Materials); ( MSD); (Northwestern Univ.)

2012-02-01

Efficient chemical conversion of biomass is essential to produce sustainable energy and industrial chemicals. Industrial level conversion of glucose to useful chemicals, such as furfural, hydroxymethylfurfural, and levulinic acid, is a major step in the biomass conversion but is difficult because of the formation of undesired products and side reactions. To understand the molecular level reaction mechanisms involved in the decomposition of glucose and fructose, we have carried out high-level quantum chemical calculations [Gaussian-4 (G4) theory]. Selective 1,2-dehydration, keto-enol tautomerization, isomerization, retro-aldol condensation, and hydride shifts of glucose and fructose molecules were investigated. Detailed kinetic and thermodynamic analyses indicate that, for acyclic glucose and fructose molecules, the dehydration and isomerization require larger activation barriers compared to the retro-aldol reaction at 298 K in neutral medium. The retro-aldol reaction results in the formation of C2 and C4 species from glucose and C3 species from fructose. The formation of the most stable C3 species, dihydroxyacetone from fructose, is thermodynamically downhill. The 1,3-hydride shift leads to the cleavage of the C-C bond in the acyclic species; however, the enthalpy of activation is significantly higher (50-55 kcal/mol) than that of the retro-aldol reaction (38 kcal/mol) mainly because of the sterically hindered distorted four-membered transition state compared to the hexa-membered transition state in the retro-aldol reaction. Both tautomerization and dehydration are catalyzed by a water molecule in aqueous medium; however, water has little effect on the retro-aldol reaction. Isomerization of glucose to fructose and glyceraldehyde to dihydroxyacetone proceeds through hydride shifts that require an activation enthalpy of about 40 kcal/mol at 298 K in water medium. This investigation maps out accurate energetics of the decomposition of glucose and fructose molecules

Data on chemical activation of Wnt/β-catenin during axolotl limb regeneration

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Sabina Wischin

2017-04-01

Full Text Available Limb amputation in axolotls was performed to obtain data demonstrating that a chemical agonist of Wnt (int-related protein/β-catenin signalling can have a role in axolotl limb regeneration (Wischin et al., 2017 [1]. The data revealed that active β-catenin protein was present during limb regeneration in some Leydig cells in the epithelium; after the chemical treatment, it was observed in more Leydig cells. In addition, the chemical agonist of Wnt generated distinct limb malformation.

Chemical composition, antioxidative and antimicrobial activity of essential oil Ocimum sanctum L.

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Beatović Damir V.

2013-01-01

Full Text Available Ocimum sanctum L. (Lamiaceae sin. Ocimum tenuiflorum L. or Tulsi basil is a plant originating from tropical and subtropical areas of India. It is used in both the traditional and official medicine in India. Tulsi is a type of basil that is insufficiently explored and studied in Europe. The goal of this paper is to determine the chemical composition, antioxidative, and antimicrobial activity of the essential oil Ocimum sanctum L. grown in Serbia. The quantity of essential oil in 100 g of herb (v/w is 0.68%, with 41 components identified in the tested essential oil. The most represented chemical group are sesquiturpene hydrocarbonates with 80.47%. Other groups were much less represented. Sesquiturpene hydrocarbonate β-cariophyllene is a predominant component in the essential oil with 63.80%. The quantity of tested essential oil needed to achieve 50% of inhibition of DPPH radicals is 0.35 μg/ml, and it has high potential to neutralize free radicals. The essential oil exhibited antibacterial activity to all tested strains of bacteria, both Gram-positive and Gram-negative. It affected all strains in an inhibitory way in the interval 0.34-41.50 μl/ml, and in a bactericide way within the range 22.50-124.5 μl/ml. The most sensitive strains of bacteria are Salmonella typhimurium and Escherichia coli, while Listeria monocytogenes and Enterococus faecalis showed greatest resistance. The essential oil exhibited antifugal activity on all tested fungi. It affected all tested fungi in an inhibitory way in the interval 4.42-8.83 μl/ml, and in a microbicide way within the range 10.00-50.00 μl/ml. The most sensitive fungi are: Aspergillus ochraceus, Penicillium ochrochloron and Penicilium funiculosum, while the most resistent one is Aspergillus niger. The tested basil essential oil Ocimum sanctum demonstrated significant antioxidative and antimicrobial effect and may be used as a raw material in food, pharmaceutical and chemical industries.

Gamma irradiation effect on the chemical composition and the antioxidant activity of Ipomoea batatas L

Energy Technology Data Exchange (ETDEWEB)

Tahir, D., E-mail: dtahir@fmipa.unhas.ac.id; Halide, H., E-mail: dtahir@fmipa.unhas.ac.id; Kurniawan, D. [Department of Physics, Hasanuddin University, Makassar 90245 (Indonesia); Wahab, A. W. [Department of Chemistry, Hasanuddin University, Makassar 90245 (Indonesia)

2014-09-25

The chemical composition and antioxidant activity of Ipomoea batatas L. (sweet potato) were studied by x-ray fluorescence (XRF) spectroscopy, Fourier transform infrared spectroscopy, and by the 1,1-diphenyl-2-picrylhydrazyl (DPPH) radical scavenging capacity. The irradiation treatment was performed by using Cs-137 as a gamma sources in experimental equipment. Treatment by irradiation emerges as a possible conservation technique that has been tested successfully in several food products. The amount of chemical composition was changed and resulting new chemical for absorbed dose 40 mSv. Interestingly, it was found that gamma irradiation significantly increased the antioxidant activity, as measured by DPPH radical scavenging capacity. The antioxidant activity of Ipomoea batatas L. extract was dramatically increased in the non-irradiated sample to the sample irradiated at 40 mSv. These results indicate that gamma irradiation of Ipomoea batatas L. extract can enhance its antioxidant activity through the formation of a new chemical compound. Based on these results, increased antioxidant activity of Ipomoea batatas L. extracts by gamma rays can be applied to various industries, especially cosmetics, foodstuffs, and pharmaceuticals.

Silver and lead in high-altitude lake sediments: Proxies for climate changes and human activities

International Nuclear Information System (INIS)

Garçon, Marion; Chauvel, Catherine; Chapron, Emmanuel; Faïn, Xavier; Lin, Mingfang; Campillo, Sylvain; Bureau, Sarah; Desmet, Marc; Bailly-Maître, Marie-Christine; Charlet, Laurent

2012-01-01

High-altitude lake sediments are often used as archives for environmental changes and their chemical and isotopic compositions provide significant constraints on natural and anthropogenic long-term changes that have occurred in their catchment area. Here, trace-element concentrations and Pb isotopes are presented for two sedimentary cores from Lake Blanc Huez in the French Alps, to trace the impact of climate changes and human activities over the Holocene. Lead and Ag contents are very high and clearly dominated by input from a Pb–Ag vein located a few meters from the lakeshore, a vein that also buffers the Pb isotopes. Mining of this vein in medieval times is recorded in the corresponding lake sediments with high Ag content coupled with high Pb/U ratio. These chemical characteristics can be used to constrain the major Holocene climate changes. Significant advances of glaciers next to the lake produced sediments with Ag and Pb concentration peaks and high Pb/U ratios due to accelerated erosion of the Pb–Ag vein, similar to the effects of the medieval mining. In contrast, reduced glacier activity led to the formation of organic-rich sediments with high U and As contents and low Pb/U ratios. More generally, the observed combination of chemical changes could be used elsewhere to decipher environmental changes over long periods of time.

Chemical compositions of magnetic, stony spherules from deep-sea sediments determined by instrumental neutron activation analysis

International Nuclear Information System (INIS)

Yamakoshi, Kazuo

1984-01-01

Chemical compositions of magnetic, stony spherules from deep sea sediments were determined by instrumental neutron activation analysis. High Ir, Au, Ni and Co contents indicate their extraterrestrial origin. The obtained compositions are considerably different from those of chondrites. It can be qualitatively interpreted, however, that cosmic matters having the compositions of chondrites are changed into magnetic, stony spherules by thermal degenerations during their atmospheric entry. (author)

Physical properties of highly active liquor containing molybdate solids

International Nuclear Information System (INIS)

Dunnett, B.; Ward, T.; Roberts, R.; Cheeseright, J.

2016-01-01

The reprocessing of irradiated nuclear fuel at Sellafield produces a nitric acid based Highly Active Liquor (HAL) waste. The liquor, containing fission products and process additives, is concentrated in an evaporator in order to reduce the volume and is then stored in Highly Active Storage Tanks (HASTs) prior to vitrification. Caesium phosphomolybdate (CPM) is precipitated during the evaporation process and can convert to zirconium molybdate (ZM) during storage. During Post Operational Clean Out (POCO) of the HASTs, it is expected that their highly active content will be reduced by repeated cycles of washing using nitric acid and other reagents. Initial washings are likely to have a chemical composition comparable to concentrated HAL, becoming more dilute during the wash-out process. It is expected that the wash-out process will also recover significant quantities of molybdate solids (ZM, CPM or a mixture) from the HASTs. In order to determine the processing challenges from such washings during POCO, the physical properties of varying concentrations of non-active HAL simulants containing molybdate solids have recently been measured by the UK's National Nuclear Laboratory. The following measurements are presented and discussed: Particle size distribution; Density; Settling behaviour of solids; Voidage of settled sediment beds; Viscosity; Yield stress; And influence of ZM morphology on physical properties. (authors)

Physical properties of highly active liquor containing molybdate solids

Energy Technology Data Exchange (ETDEWEB)

Dunnett, B.; Ward, T.; Roberts, R. [National Nuclear Laboratory, Sellafield, Seascale, Cumbria, CA20 1PG (United Kingdom); Cheeseright, J. [Sellafield Ltd, Sellafield, Seascale, Cumbria, CA20 1PG (United Kingdom)

2016-07-01

The reprocessing of irradiated nuclear fuel at Sellafield produces a nitric acid based Highly Active Liquor (HAL) waste. The liquor, containing fission products and process additives, is concentrated in an evaporator in order to reduce the volume and is then stored in Highly Active Storage Tanks (HASTs) prior to vitrification. Caesium phosphomolybdate (CPM) is precipitated during the evaporation process and can convert to zirconium molybdate (ZM) during storage. During Post Operational Clean Out (POCO) of the HASTs, it is expected that their highly active content will be reduced by repeated cycles of washing using nitric acid and other reagents. Initial washings are likely to have a chemical composition comparable to concentrated HAL, becoming more dilute during the wash-out process. It is expected that the wash-out process will also recover significant quantities of molybdate solids (ZM, CPM or a mixture) from the HASTs. In order to determine the processing challenges from such washings during POCO, the physical properties of varying concentrations of non-active HAL simulants containing molybdate solids have recently been measured by the UK's National Nuclear Laboratory. The following measurements are presented and discussed: Particle size distribution; Density; Settling behaviour of solids; Voidage of settled sediment beds; Viscosity; Yield stress; And influence of ZM morphology on physical properties. (authors)

Special theory on chemical engineering

International Nuclear Information System (INIS)

1987-06-01

This book give a special description about chemical engineering. The contents of this book are special technique for isolation on introduction and separation by membrane, biochemistry engineering, process system engineering, energy engineering, environment engineering, a high molecular new material, election material and research on surface property of catalyst. It has appendixes on history of transition on Korean chemical engineering text contents and history of the activity of Korea chemical engineering institute.

Chemical Analysis and Biological Activity of the Essential Oils of Two Endemic Soqotri Commiphora Species

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Wulf Schultze

2010-02-01

Full Text Available The barks of two endemic Commiphora species namely, Commiphora ornifolia (Balf.f. Gillett and Commiphora parvifolia Engl., were collected from Soqotra Island in Yemen and their essential oils were obtained by hydrodistillation. The chemical composition of both oils was investigated by GC and GC-MS. Moreover, the essential oils were evaluated for their antimicrobial activity against two Gram-positive bacteria, two Gram-negative bacteria and one yeast species by using a broth micro-dilution assay for minimum inhibitory concentrations (MIC and for their antioxidant activity by measuring the DPPH radical scavenging activity. A total of 45 constituents of C. ornifolia (85.6% and 44 constituents of C. parvifolia (87.1% were identified. The oil of C. ornifolia was characterized by a high content of oxygenated monoterpenes (56.3%, of which camphor (27.3%, α-fenchol (15.5%, fenchone (4.4% and borneol (2.9% were identified as the main components. High contents of oxygenated sesquiterpenes (36.1% and aliphatic acids (22.8% were found in C. parvifolia oil, in which caryophyllene oxide (14.2%, β-eudesmol (7.7%, bulnesol (5.7%, T-cadinol (3.7% and hexadecanoic acid (18.4% predominated. The results of the antimicrobial assay showed that both oils exhibited moderate to high antibacterial activity especially against Gram-positive bacteria. C. ornifolia oil was the most active. In addition, the DPPH-radical scavenging assay exhibited only weak antioxidant activities for both oils at the high concentration tested.

Study of novel mechano-chemical activation process of red mud to optimize nitrate removal from water.

Science.gov (United States)

Alighardashi, A; Gharibi, H R; Raygan, Sh; Akbarzadeh, A

2016-01-01

Red mud (RM) is the industrial waste of alumina production and causes serious environmental risks. In this paper, a novel activation procedure for RM (mechano-chemical processing) is proposed in order to improve the nitrate adsorption from water. High-energy milling and acidification were selected as mechanical and chemical activation methods, respectively. Synthesized samples of adsorbent were produced considering two parameters of activation: acid concentrations and acidification time in two selected milling times. Optimization of the activation process was based on nitrate removal from a stock solution. Experimental data were analyzed with two-way analysis of variance and Kruskal-Wallis methods to verify and discover the accuracy and probable errors. Best conditions (acceptable removal percentage > 75) were 17.6% w/w for acid concentrate and 19.9 minutes for acidification time in 8 hours for milling time. A direct relationship between increase in nitrate removal and increasing the acid concentration and acidification time was observed. The adsorption isotherms were studied and compared with other nitrate adsorbents. Characterization tests (X-ray fluorescence, X-ray diffraction, Fourier transform infrared spectrophotometry, dynamic light scattering, surface area analysis and scanning electron microscopy) were conducted for both raw and activated adsorbents. Results showed noticeable superiority in characteristics after activation: higher specific area and porosity, lower particle size and lower agglomeration in structure.

Influence of chemical agents on the surface area and porosity of active carbon hollow fibers

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LJILJANA M. KLJAJEVIĆ

2011-09-01

Full Text Available Active carbon hollow fibers were prepared from regenerated polysulfone hollow fibers by chemical activation using: disodium hydrogen phosphate 2-hydrate, disodium tetraborate 10-hydrate, hydrogen peroxide, and diammonium hydrogen phosphate. After chemical activation fibers were carbonized in an inert atmosphere. The specific surface area and porosity of obtained carbons were studied by nitrogen adsorption–desorption isotherms at 77 K, while the structures were examined with scanning electron microscopy and X-ray diffraction. The activation process increases these adsorption properties of fibers being more pronounced for active carbon fibers obtained with disodium tetraborate 10-hydrate and hydrogen peroxide as activator. The obtained active hollow carbons are microporous with different pore size distribution. Chemical activation with phosphates produces active carbon material with small surface area but with both mesopores and micropores. X-ray diffraction shows that besides turbostratic structure typical for carbon materials, there are some peaks which indicate some intermediate reaction products when sodium salts were used as activating agent. Based on data from the electrochemical measurements the activity and porosity of the active fibers depend strongly on the oxidizing agent applied.

Chemical Composition, Antimicrobial and Antioxidant Activities of Essential Oils from Organically Cultivated Fennel Cultivars

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Mahmoud A. Saleh

2011-02-01

Full Text Available Essential oils of the fruits of three organically grown cultivars of Egyptian fennel (Foeniculum vulgare var. azoricum, Foeniculum vulgare var. dulce and Foeniculum vulgare var. vulgare were examined for their chemical constituents, antimicrobial and antioxidant activities. Gas chromatography/mass spectrometry analysis of the essential oils revealed the presence of 18 major monoterpenoids in all three cultivars but their percentage in each oil were greatly different. trans-Anethole, estragole, fenchone and limonene were highly abundant in all of the examined oils. Antioxidant activities of the essential oils were evaluated using the DPPH radical scavenging, lipid peroxidation and metal chelating assays. Essential oils from the azoricum and dulce cultivars were more effective antioxidants than that from the vulgare cultivar. Antimicrobial activities of each oil were measured against two species of fungi, two species of Gram negative and two species of Gram positive bacteria. All three cultivars showed similar antimicrobial activity.

Chemical composition, antimicrobial and antioxidant activities of essential oils from organically cultivated fennel cultivars.

Science.gov (United States)

Shahat, Abdelaaty A; Ibrahim, Abeer Y; Hendawy, Saber F; Omer, Elsayed A; Hammouda, Faiza M; Abdel-Rahman, Fawzia H; Saleh, Mahmoud A

2011-02-01

Essential oils of the fruits of three organically grown cultivars of Egyptian fennel (Foeniculum vulgare var. azoricum, Foeniculum vulgare var. dulce and Foeniculum vulgare var. vulgare) were examined for their chemical constituents, antimicrobial and antioxidant activities. Gas chromatography/mass spectrometry analysis of the essential oils revealed the presence of 18 major monoterpenoids in all three cultivars but their percentage in each oil were greatly different. trans-Anethole, estragole, fenchone and limonene were highly abundant in all of the examined oils. Antioxidant activities of the essential oils were evaluated using the DPPH radical scavenging, lipid peroxidation and metal chelating assays. Essential oils from the azoricum and dulce cultivars were more effective antioxidants than that from the vulgare cultivar. Antimicrobial activities of each oil were measured against two species of fungi, two species of Gram negative and two species of Gram positive bacteria. All three cultivars showed similar antimicrobial activity.

Chemical composition and antioxidant and anti-Listeria activities of essential oils obtained from some Egyptian plants.

Science.gov (United States)

Viuda-Martos, Manuel; El Gendy, Abd El-Nasser G S; Sendra, Esther; Fernández-López, Juana; Abd El Razik, K A; Omer, Elsayed A; Pérez-Alvarez, Jose A

2010-08-25

The aim of this work was to (i) determine the chemical composition of the essential oils of six spices widely cultivated in Egypt (Origanum syriacum, Majorana hortensis, Rosmarinus officinalis, Cymbopogon citratus, Thymus vulgaris, and Artemisia annua); (ii) determine the antioxidant activity of the Egyptian essential oils by means of five different antioxidant tests; and (iii) determine the effectiveness of these essential oils on the inhibition of Listeria innocua CECT 910. There is a great variability in the chemical composition of essential oils obtained from the six Egyptian aromatic plants. Overall, thyme (highest percentage of inhibition of DPPH radical: 89.40%) and oregano (highest percentage of inhibition of TBARS: 85.79) essential oils presented the best antioxidant profiles, whereas marjoram, lemongrass, and artemisia were highly effective in metal chelating but had a pro-oxidative behavior by Rancimat induction test. Lemongrass essential oil showed the highest antibacterial activity against L. innocua with an inhibition zone of 49.00 mm, followed in effectiveness by thyme, marjoram, and oregano.

A Rat α-Fetoprotein Binding Activity Prediction Model to Facilitate Assessment of the Endocrine Disruption Potential of Environmental Chemicals.

Science.gov (United States)

Hong, Huixiao; Shen, Jie; Ng, Hui Wen; Sakkiah, Sugunadevi; Ye, Hao; Ge, Weigong; Gong, Ping; Xiao, Wenming; Tong, Weida

2016-03-25

Endocrine disruptors such as polychlorinated biphenyls (PCBs), diethylstilbestrol (DES) and dichlorodiphenyltrichloroethane (DDT) are agents that interfere with the endocrine system and cause adverse health effects. Huge public health concern about endocrine disruptors has arisen. One of the mechanisms of endocrine disruption is through binding of endocrine disruptors with the hormone receptors in the target cells. Entrance of endocrine disruptors into target cells is the precondition of endocrine disruption. The binding capability of a chemical with proteins in the blood affects its entrance into the target cells and, thus, is very informative for the assessment of potential endocrine disruption of chemicals. α-fetoprotein is one of the major serum proteins that binds to a variety of chemicals such as estrogens. To better facilitate assessment of endocrine disruption of environmental chemicals, we developed a model for α-fetoprotein binding activity prediction using the novel pattern recognition method (Decision Forest) and the molecular descriptors calculated from two-dimensional structures by Mold² software. The predictive capability of the model has been evaluated through internal validation using 125 training chemicals (average balanced accuracy of 69%) and external validations using 22 chemicals (balanced accuracy of 71%). Prediction confidence analysis revealed the model performed much better at high prediction confidence. Our results indicate that the model is useful (when predictions are in high confidence) in endocrine disruption risk assessment of environmental chemicals though improvement by increasing number of training chemicals is needed.

Recent progress in the development of solid catalysts for biomass conversion into high value-added chemicals

Science.gov (United States)

Hara, Michikazu; Nakajima, Kiyotaka; Kamata, Keigo

2015-06-01

In recent decades, the substitution of non-renewable fossil resources by renewable biomass as a sustainable feedstock has been extensively investigated for the manufacture of high value-added products such as biofuels, commodity chemicals, and new bio-based materials such as bioplastics. Numerous solid catalyst systems for the effective conversion of biomass feedstocks into value-added chemicals and fuels have been developed. Solid catalysts are classified into four main groups with respect to their structures and substrate activation properties: (a) micro- and mesoporous materials, (b) metal oxides, (c) supported metal catalysts, and (d) sulfonated polymers. This review article focuses on the activation of substrates and/or reagents on the basis of groups (a)-(d), and the corresponding reaction mechanisms. In addition, recent progress in chemocatalytic processes for the production of five industrially important products (5-hydroxymethylfurfural, lactic acid, glyceraldehyde, 1,3-dihydroxyacetone, and furan-2,5-dicarboxylic acid) as bio-based plastic monomers and their intermediates is comprehensively summarized.

Recent progress in the development of solid catalysts for biomass conversion into high value-added chemicals

International Nuclear Information System (INIS)

Hara, Michikazu; Nakajima, Kiyotaka; Kamata, Keigo

2015-01-01

In recent decades, the substitution of non-renewable fossil resources by renewable biomass as a sustainable feedstock has been extensively investigated for the manufacture of high value-added products such as biofuels, commodity chemicals, and new bio-based materials such as bioplastics. Numerous solid catalyst systems for the effective conversion of biomass feedstocks into value-added chemicals and fuels have been developed. Solid catalysts are classified into four main groups with respect to their structures and substrate activation properties: (a) micro- and mesoporous materials, (b) metal oxides, (c) supported metal catalysts, and (d) sulfonated polymers. This review article focuses on the activation of substrates and/or reagents on the basis of groups (a)–(d), and the corresponding reaction mechanisms. In addition, recent progress in chemocatalytic processes for the production of five industrially important products (5-hydroxymethylfurfural, lactic acid, glyceraldehyde, 1,3-dihydroxyacetone, and furan-2,5-dicarboxylic acid) as bio-based plastic monomers and their intermediates is comprehensively summarized. (focus issue review)

Recent progress in the development of solid catalysts for biomass conversion into high value-added chemicals

Science.gov (United States)

Hara, Michikazu; Nakajima, Kiyotaka; Kamata, Keigo

2015-01-01

In recent decades, the substitution of non-renewable fossil resources by renewable biomass as a sustainable feedstock has been extensively investigated for the manufacture of high value-added products such as biofuels, commodity chemicals, and new bio-based materials such as bioplastics. Numerous solid catalyst systems for the effective conversion of biomass feedstocks into value-added chemicals and fuels have been developed. Solid catalysts are classified into four main groups with respect to their structures and substrate activation properties: (a) micro- and mesoporous materials, (b) metal oxides, (c) supported metal catalysts, and (d) sulfonated polymers. This review article focuses on the activation of substrates and/or reagents on the basis of groups (a)–(d), and the corresponding reaction mechanisms. In addition, recent progress in chemocatalytic processes for the production of five industrially important products (5-hydroxymethylfurfural, lactic acid, glyceraldehyde, 1,3-dihydroxyacetone, and furan-2,5-dicarboxylic acid) as bio-based plastic monomers and their intermediates is comprehensively summarized. PMID:27877800

Can nanofluidic chemical release enable fast, high resolution neurotransmitter-based neurostimulation?

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Peter D Jones

2016-03-01

Full Text Available Artificial chemical stimulation could provide improvements over electrical neurostimulation. Physiological neurotransmission between neurons relies on the nanoscale release and propagation of specific chemical signals to spatially-localized receptors. Current knowledge of nanoscale fluid dynamics and nanofluidic technology allows us to envision artificial mechanisms to achieve fast, high resolution neurotransmitter release. Substantial technological development is required to reach this goal. Nanofluidic technology — rather than microfluidic — will be necessary; this should come as no surprise given the nanofluidic nature of neurotransmission.This perspective reviews the state of the art of high resolution electrical neuroprostheses and their anticipated limitations. Chemical release rates from nanopores are compared to rates achieved at synapses and with iontophoresis. A review of microfluidic technology justifies the analysis that microfluidic control of chemical release would be insufficient. Novel nanofluidic mechanisms are discussed, and we propose that hydrophobic gating may allow control of chemical release suitable for mimicking neurotransmission. The limited understanding of hydrophobic gating in artificial nanopores and the challenges of fabrication and large-scale integration of nanofluidic components are emphasized. Development of suitable nanofluidic technology will require dedicated, long-term efforts over many years.

Chemical Sensor Platform for Non-Invasive Monitoring of Activity and Dehydration

Directory of Open Access Journals (Sweden)

Dmitry Solovei

2015-01-01

Full Text Available A non-invasive solution for monitoring of the activity and dehydration of organisms is proposed in the work. For this purpose, a wireless standalone chemical sensor platform using two separate measurement techniques has been developed. The first approach for activity monitoring is based on humidity measurement. Our solution uses new humidity sensor based on a nanostructured TiO2 surface for sweat rate monitoring. The second technique is based on monitoring of potassium concentration in urine. High level of potassium concentration denotes clear occurrence of dehydration. Furthermore, a Wireless Body Area Network (WBAN was developed for this sensor platform to manage data transfer among devices and the internet. The WBAN coordinator controls the sensor devices and collects and stores the measured data. The collected data is particular to individuals and can be shared with physicians, emergency systems or athletes’ coaches. Long-time monitoring of activity and potassium concentration in urine can help maintain the appropriate water intake of elderly people or athletes and to send warning signals in the case of near dehydration. The created sensor system was calibrated and tested in laboratory and real conditions as well. The measurement results are discussed.

Microbial Consortium with High Cellulolytic Activity (MCHCA for enhanced biogas production.

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Krzysztof ePoszytek

2016-03-01

Full Text Available The use of lignocellulosic biomass as a substrate in agricultural biogas plants is very popular and yields good results. However, the efficiency of anaerobic digestion, and thus biogas production, is not always satisfactory due to the slow or incomplete degradation (hydrolysis of plant matter. To enhance the solubilization of the lignocellulosic biomass various physical, chemical and biological pretreatment methods are used.The aim of this study was to select and characterize cellulose-degrading bacteria, and to construct a microbial consortium, dedicated for degradation of maize silage and enhancing biogas production from this substrate.Over one hundred strains of cellulose-degrading bacteria were isolated from: sewage sludge, hydrolyzer from an agricultural biogas plant, cattle slurry and manure. After physiological characterization of the isolates, sixteen strains (representatives of Bacillus, Providencia and Ochrobactrum genera were chosen for the construction of a Microbial Consortium with High Cellulolytic Activity, called MCHCA. The selected strains had a high endoglucanase activity (exceeding 0.21 IU/mL CMCase activity and a wide range of tolerance to various physical and chemical conditions. Lab-scale simulation of biogas production using the selected strains for degradation of maize silage was carried out in a two-bioreactor system, similar to those used in agricultural biogas plants.The obtained results showed that the constructed MCHCA consortium is capable of efficient hydrolysis of maize silage, and increases biogas production by even 38%, depending on the inoculum used for methane fermentation. The results in this work indicate that the mesophilic Microbial Consortium with High Cellulolytic Activity has a great potential for application on industrial scale in agricultural biogas plants.

Effect of high surface area activated carbon on thermal degradation of jet fuel

Energy Technology Data Exchange (ETDEWEB)

Gergova, K.; Eser, S.; Arumugam, R.; Schobert, H.H. [Pennsylvania State Univ., University Park, PA (United States)

1995-05-01

Different solid carbons added to jet fuel during thermal stressing cause substantial changes in pyrolytic degradation reactions. Activated carbons, especially high surface area activated carbons were found to be very effective in suppressing solid deposition on metal reactor walls during stressing at high temperatures (425 and 450{degrees}C). The high surface area activated carbon PX-21 prevented solid deposition on reactor walls even after 5h at 450{degrees}C. The differences seen in the liquid product composition when activated carbon is added indicated that the carbon surfaces affect the degradation reactions. Thermal stressing experiments were carried out on commercial petroleum-derived JPTS jet fuel. We also used n-octane and n-dodecane as model compounds in order to simplify the study of the chemical changes which take place upon activated carbon addition. In separate experiments, the presence of a hydrogen donor, decalin, together with PX-21 was also studied.

[Advances in research of chemical constituents and pharmacological activities of common used spices].

Science.gov (United States)

Sun, Chao-nan; Zhu, Yuan; Xu, Xi-ming; Yu, Jiang-nan

2014-11-01

Spices have enjoyed a long history and a worldwide application. Of particular interest is the pharmaceutical value of spices in addition to its basic seasoning function in cooking. Concretely, equipped with complex chemical compositions, spices are of significant importance in pharmacologic actions, like antioxidant, antibacterial, antitumor, as well as therapeutical effects in gastrointestinal disorders and cardiovascular disease. Although increasing evidences in support of its distinct role in the medical field has recently reported, little information is available for substantive, thorough and sophisticated researches on its chemical constituents and pharmacological activities, especially mechanism of these actions. Therefore, in popular wave of studies directed at a single spice, this review presents systematic studies on the chemical constituents and pharmacological activities associated with common used spices, together with current typical individual studies on functional mechanism, in order to pave the way for the exploitation and development of new medicines derived from the chemical compounds of spice (such as, piperine, curcumin, geniposide, cinnamaldehyde, cinnamic acid, linalool, estragole, perillaldehyde, syringic acid, crocin).

Active multispectral reflection fingerprinting of persistent chemical agents

Science.gov (United States)

Tholl, H. D.; Münzhuber, F.; Kunz, J.; Raab, M.; Rattunde, M.; Hugger, S.; Gutty, F.; Grisard, A.; Larat, C.; Papillon, D.; Schwarz, M.; Lallier, E.; Kastek, M.; Piatkowski, T.; Brygo, F.; Awanzino, C.; Wilsenack, F.; Lorenzen, A.

2017-10-01

Remote detection of toxic chemicals of very low vapour pressure deposited on surfaces in form of liquid films, droplets or powder is a capability that is needed to protect operators and equipment in chemical warfare scenarios and in industrial environments. Infrared spectroscopy is a suitable means to support this requirement. Available instruments based on passive emission spectroscopy have difficulties in discriminating the infrared emission spectrum of the surface background from that of the contamination. Separation of background and contamination is eased by illuminating the surface with a spectrally tune-able light source and by analyzing the reflectivity spectrum. The project AMURFOCAL (Active Multispectral Reflection Fingerprinting of Persistent Chemical Agents) has the research topic of stand-off detection and identification of chemical warfare agents (CWAs) with amplified quantum cascade laser technology in the long-wave infrared spectral range. The project was conducted under the Joint Investment Programme (JIP) on CBRN protection funded through the European Defence Agency (EDA). The AMURFOCAL instrument comprises a spectrally narrow tune-able light source with a broadband infrared detector and chemometric data analysis software. The light source combines an external cavity quantum cascade laser (EC-QCL) with an optical parametric amplifier (OPA) to boost the peak output power of a short laser pulse tune-able over the infrared fingerprint region. The laser beam is focused onto a target at a distance between 10 and 20 m. A 3D data cube is registered by tuning the wavelength of the laser emission while recording the received signal scattered off the target using a multi-element infrared detector. A particular chemical is identified through the extraction of its characteristic spectral fingerprint out of the measured data. The paper describes the AMURFOCAL instrument, its functional units, and its principles of operation.

Chemical analyses and calculation of isotopic compositions of high-burnup UO{sub 2} fuels and MOX fuels

Energy Technology Data Exchange (ETDEWEB)

Matsumura, Tetsuo; Sasahara, Akihiro [Central Research Inst. of Electric Power Industry, Tokyo (Japan)

2001-08-01

Chemical analysis activities of isotopic compositions of high-burnup UO{sub 2} fuels and MOX fuels in CRIEPI and calculation evaluation are reviewed briefly. C/E values of ORIGEN2, in which original libraries and JENDL-3.2 libraries are used, and other codes with chemical analysis data are reviewed and evaluated. Isotopic compositions of main U and Pu in fuels can be evaluated within 10% relative errors by suitable libraries and codes. Void ratio is effective parameter for C/E values in BWR fuels. JENDL-3.2 library shows remarkable improvement compared with original libraries in isotopic composition evaluations of FP nuclides. (author)

High Molecular Weight Polymers in the New Chemicals Program

Science.gov (United States)

There are three categories or types of High Molecular Weight (HMW, 10,000 daltons) polymers typically reviewed by the New Chemicals Program: Soluble, insoluble, and water absorbing. Each of the three types are treated differently.

A roadmap to high quality chemically prepared graphene

Energy Technology Data Exchange (ETDEWEB)

Gengler, Regis Y N; Spyrou, Konstantinos; Rudolf, Petra, E-mail: r.gengler@rug.n, E-mail: p.rudolf@rug.n [Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, 9747AG Groningen (Netherlands)

2010-09-22

Graphene was discovered half a decade ago and proved the existence of a two-dimensional system which becomes stable as a result of 3D corrugation. It appeared very quickly that this exceptional material had truly outstanding electronic, mechanical, thermal and optical properties. Consequently a broad range of applications appeared, as the graphene science speedily moved forward. Since then, a lot of effort has been devoted not only to the study of graphene but also to its fabrication. Here we review the chemical approaches to graphene production, their advantages as well as their downsides. Our aim is to draw a roadmap of today's most reliable path to high quality graphene via chemical preparation.

A roadmap to high quality chemically prepared graphene

International Nuclear Information System (INIS)

Gengler, Regis Y N; Spyrou, Konstantinos; Rudolf, Petra

2010-01-01

Graphene was discovered half a decade ago and proved the existence of a two-dimensional system which becomes stable as a result of 3D corrugation. It appeared very quickly that this exceptional material had truly outstanding electronic, mechanical, thermal and optical properties. Consequently a broad range of applications appeared, as the graphene science speedily moved forward. Since then, a lot of effort has been devoted not only to the study of graphene but also to its fabrication. Here we review the chemical approaches to graphene production, their advantages as well as their downsides. Our aim is to draw a roadmap of today's most reliable path to high quality graphene via chemical preparation.

Chemical stability of high-temperature superconductors

Science.gov (United States)

Bansal, Narottam P.

1992-01-01

A review of the available studies on the chemical stability of the high temperature superconductors (HTS) in various environments was made. The La(1.8)Ba(0.2)CuO4 HTS is unstable in the presence of H2O, CO2, and CO. The YBa2Cu3O(7-x) superconductor is highly susceptible to degradation in different environments, especially water. The La(2-x)Ba(x)CuO4 and Bi-Sr-Ca-Cu-O HTS are relatively less reactive than the YBa2Cu3O(7-x). Processing of YBa2Cu3O(7-x) HTS in purified oxygen, rather than in air, using high purity noncarbon containing starting materials is recommended. Exposure of this HTS to the ambient atmosphere should also be avoided at all stages during processing and storage. Devices and components made out of these oxide superconductors would have to be protected with an impermeable coating of a polymer, glass, or metal to avoid deterioration during use.

Preparation of TiC/W core–shell structured powders by one-step activation and chemical reduction process

International Nuclear Information System (INIS)

Ding, Xiao-Yu; Luo, Lai-Ma; Huang, Li-Mei; Luo, Guang-Nan; Zhu, Xiao-Yong; Cheng, Ji-Gui; Wu, Yu-Cheng

2015-01-01

Highlights: • A novel wet chemical method was used to prepare TiC/W core–shell structure powders. • TiC nanoparticles were well-encapsulated by W shells. • TiC phase was present in the interior of tungsten grains. - Abstract: In the present study, one-step activation and chemical reduction process as a novel wet-chemical route was performed for the preparation of TiC/W core–shell structured ultra-fine powders. The XRD, FE-SEM, TEM and EDS results demonstrated that the as-synthesized powders are of high purity and uniform with a diameter of approximately 500 nm. It is also found that the TiC nanoparticles were well-encapsulated by W shells. Such a unique process suggests a new method for preparing X/W (X refers the water-insoluble nanoparticles) core–shell nanoparticles with different cores

Simaroubaceae family: botany, chemical composition and biological activities

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Iasmine A.B.S. Alves

Full Text Available The Simaroubaceae family includes 32 genera and more than 170 species of trees and brushes of pantropical distribution. The main distribution hot spots are located at tropical areas of America, extending to Africa, Madagascar and regions of Australia bathed by the Pacific. This family is characterized by the presence of quassinoids, secondary metabolites responsible of a wide spectrum of biological activities such as antitumor, antimalarial, antiviral, insecticide, feeding deterrent, amebicide, antiparasitic and herbicidal. Although the chemical and pharmacological potential of Simaroubaceae family as well as its participation in official compendia; such as British, German, French and Brazilian pharmacopoeias, and patent registration, many of its species have not been studied yet. In order to direct further investigation to approach detailed botanical, chemical and pharmacological aspects of the Simaroubaceae, the present work reviews the information regarding the main genera of the family up to 2013.

A Chemical Route to Activation of Open Metal Sites in the Copper-Based Metal-Organic Framework Materials HKUST-1 and Cu-MOF-2.

Science.gov (United States)

Kim, Hong Ki; Yun, Won Seok; Kim, Min-Bum; Kim, Jeung Yoon; Bae, Youn-Sang; Lee, JaeDong; Jeong, Nak Cheon

2015-08-12

Open coordination sites (OCSs) in metal-organic frameworks (MOFs) often function as key factors in the potential applications of MOFs, such as gas separation, gas sorption, and catalysis. For these applications, the activation process to remove the solvent molecules coordinated at the OCSs is an essential step that must be performed prior to use of the MOFs. To date, the thermal method performed by applying heat and vacuum has been the only method for such activation. In this report, we demonstrate that methylene chloride (MC) itself can perform the activation role: this process can serve as an alternative "chemical route" for the activation that does not require applying heat. To the best of our knowledge, no previous study has demonstrated this function of MC, although MC has been popularly used in the pretreatment step prior to the thermal activation process. On the basis of a Raman study, we propose a plausible mechanism for the chemical activation, in which the function of MC is possibly due to its coordination with the Cu(2+) center and subsequent spontaneous decoordination. Using HKUST-1 film, we further demonstrate that this chemical activation route is highly suitable for activating large-area MOF films.

Identification of three classes of heteroaromatic compounds with activity against intracellular Trypanosoma cruzi by chemical library screening.

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Esther Bettiol

Full Text Available The development of new drugs against Chagas disease is a priority since the currently available medicines have toxic effects, partial efficacy and are targeted against the acute phase of disease. At present, there is no drug to treat the chronic stage. In this study, we have optimized a whole cell-based assay for high throughput screening of compounds that inhibit infection of mammalian cells by Trypanosoma cruzi trypomastigotes. A 2000-compound chemical library was screened using a recombinant T. cruzi (Tulahuen strain expressing beta-galactosidase. Three hits were selected for their high activity against T. cruzi and low toxicity to host cells in vitro: PCH1, NT1 and CX1 (IC(50: 54, 190 and 23 nM, respectively. Each of these three compounds presents a different mechanism of action on intracellular proliferation of T. cruzi amastigotes. CX1 shows strong trypanocidal activity, an essential characteristic for the development of drugs against the chronic stage of Chagas disease where parasites are found intracellular in a quiescent stage. NT1 has a trypanostatic effect, while PCH1 affects parasite division. The three compounds also show high activity against intracellular T. cruzi from the Y strain and against the related kinetoplastid species Leishmania major and L. amazonensis. Characterization of the anti-T. cruzi activity of molecules chemically related to the three library hits allowed the selection of two compounds with IC(50 values of 2 nM (PCH6 and CX2. These values are approximately 100 times lower than those of the medicines used in patients against T. cruzi. These results provide new candidate molecules for the development of treatments against Chagas disease and leishmaniasis.

Identification of three classes of heteroaromatic compounds with activity against intracellular Trypanosoma cruzi by chemical library screening.

Science.gov (United States)

Bettiol, Esther; Samanovic, Marie; Murkin, Andrew S; Raper, Jayne; Buckner, Frederick; Rodriguez, Ana

2009-01-01

The development of new drugs against Chagas disease is a priority since the currently available medicines have toxic effects, partial efficacy and are targeted against the acute phase of disease. At present, there is no drug to treat the chronic stage. In this study, we have optimized a whole cell-based assay for high throughput screening of compounds that inhibit infection of mammalian cells by Trypanosoma cruzi trypomastigotes. A 2000-compound chemical library was screened using a recombinant T. cruzi (Tulahuen strain) expressing beta-galactosidase. Three hits were selected for their high activity against T. cruzi and low toxicity to host cells in vitro: PCH1, NT1 and CX1 (IC(50): 54, 190 and 23 nM, respectively). Each of these three compounds presents a different mechanism of action on intracellular proliferation of T. cruzi amastigotes. CX1 shows strong trypanocidal activity, an essential characteristic for the development of drugs against the chronic stage of Chagas disease where parasites are found intracellular in a quiescent stage. NT1 has a trypanostatic effect, while PCH1 affects parasite division. The three compounds also show high activity against intracellular T. cruzi from the Y strain and against the related kinetoplastid species Leishmania major and L. amazonensis. Characterization of the anti-T. cruzi activity of molecules chemically related to the three library hits allowed the selection of two compounds with IC(50) values of 2 nM (PCH6 and CX2). These values are approximately 100 times lower than those of the medicines used in patients against T. cruzi. These results provide new candidate molecules for the development of treatments against Chagas disease and leishmaniasis.

Observations of Chemical Composition in Frost Flower Growth Process and Their Implication in Aerosol Production and Bromine Activation Chemistry

Science.gov (United States)

Alvarez-Aviles, L.; Simpson, W. R.; Douglas, T. A.; Sturm, M.; Perovich, D. K.

2006-12-01

Frost flowers are believed to be responsible for most of the salt aerosol and possibly the bromine in the gas phase during springtime in Polar Regions. Frost flowers are vapor deposited ice crystals that form on new forming sea ice and wick brine from the sea-ice surface resulting in high salinities. We propose a conceptual model of frost flower growth and chemical fractionation using chemical analysis to support this model. We also consider how the chemical composition of frost flowers can tell us about the role of frost flowers in bromine activation and aerosol production. Our conceptual model is centered in two important events that occur when sea ice grows and the ice surface temperature gets colder. Brine on the sea-ice surface is drawn up the frost flower by capillary forces, therefore the high salinity values found. Secondarily salt hydrates begin to precipitate at certain temperatures. These precipitation reactions modify the chemical composition of the frost flowers and residual brine, and are the main topic of this research. We found variability and generally depletion of sulfate as compared to sea-water composition in most of the mature frost flowers. This result is in agreement with the literature, which proposes the depletion in sulfate occurs because mirabilite (Na2SO4 · 10H2O) precipitates before the brine is wicked. The observation of some slightly sulfate-enhanced samples in addition to depleted samples indicates that the brine/frost flower environment is the location where mirabilite precipitation and separation from residual brine occurs. Frost flowers bromide enhancement factors are all, within analytical limits, identical to sea water, although nearby snow is depleted in bromide. Because of the high salt concentrations in frost flowers, significant bromine activation could occur from frost flowers without being detected by this measurement. However, if all bromide activation occurred on frost flowers, and frost flowers are not depleted in

Conformal coating of amorphous silicon and germanium by high pressure chemical vapor deposition for photovoltaic fabrics

Science.gov (United States)

Ji, Xiaoyu; Cheng, Hiu Yan; Grede, Alex J.; Molina, Alex; Talreja, Disha; Mohney, Suzanne E.; Giebink, Noel C.; Badding, John V.; Gopalan, Venkatraman

2018-04-01

Conformally coating textured, high surface area substrates with high quality semiconductors is challenging. Here, we show that a high pressure chemical vapor deposition process can be employed to conformally coat the individual fibers of several types of flexible fabrics (cotton, carbon, steel) with electronically or optoelectronically active materials. The high pressure (˜30 MPa) significantly increases the deposition rate at low temperatures. As a result, it becomes possible to deposit technologically important hydrogenated amorphous silicon (a-Si:H) from silane by a simple and very practical pyrolysis process without the use of plasma, photochemical, hot-wire, or other forms of activation. By confining gas phase reactions in microscale reactors, we show that the formation of undesired particles is inhibited within the microscale spaces between the individual wires in the fabric structures. Such a conformal coating approach enables the direct fabrication of hydrogenated amorphous silicon-based Schottky junction devices on a stainless steel fabric functioning as a solar fabric.

Chemical composition and antimicrobial activity of the essential oils of Pinus pinaster

OpenAIRE

Nouara Ait Mimoune; Djouher Ait Mimoune; Aziza Yataghene

2013-01-01

Objective: To investigate the antimicrobial activity and chemical composition of essential oils of Pinus pinaster. Methods: Essential oils were extracted from the needles by hydrodistillation. The chemical composition of the obtained essential oils was analyzed using GC-MS technique. The antimicrobial potential has been tested against six microorganisms performing the disc diffusion assay. Results: Twenty-three components have been identified. β-caryophyllene (30.9%) and β-seli...

From simple to complex and backwards. Chemical reactions under very high pressure

International Nuclear Information System (INIS)

Bini, Roberto; Ceppatelli, Matteo; Citroni, Margherita; Schettino, Vincenzo

2012-01-01

Highlights: ► High pressure reactivity of several molecular systems. ► Reaction kinetics and dynamics in high density conditions. ► Key role of optical pumping and electronic excitation. ► Perspectives for the synthesis of hydrogen. - Abstract: High pressure chemical reactions of molecular systems are discussed considering the various factors that can affect the reactivity. These include steric hindrance and geometrical constraints in the confined environment of crystals at high pressure, changes of the free energy landscape with pressure, photoactivation by two-photon absorption, local and collective effects. A classification of the chemical reactions at high pressure is attempted on the basis of the prevailing factors.

High-throughput dietary exposure predictions for chemical migrants from food contact substances for use in chemical prioritization.

Science.gov (United States)

Biryol, Derya; Nicolas, Chantel I; Wambaugh, John; Phillips, Katherine; Isaacs, Kristin

2017-11-01

Under the ExpoCast program, United States Environmental Protection Agency (EPA) researchers have developed a high-throughput (HT) framework for estimating aggregate exposures to chemicals from multiple pathways to support rapid prioritization of chemicals. Here, we present methods to estimate HT exposures to chemicals migrating into food from food contact substances (FCS). These methods consisted of combining an empirical model of chemical migration with estimates of daily population food intakes derived from food diaries from the National Health and Nutrition Examination Survey (NHANES). A linear regression model for migration at equilibrium was developed by fitting available migration measurements as a function of temperature, food type (i.e., fatty, aqueous, acidic, alcoholic), initial chemical concentration in the FCS (C 0 ) and chemical properties. The most predictive variables in the resulting model were C 0 , molecular weight, log K ow , and food type (R 2 =0.71, pchemicals identified via publicly-available data sources as being present in polymer FCSs were predicted for 12 food groups (combinations of 3 storage temperatures and food type). The model was parameterized with screening-level estimates of C 0 based on the functional role of chemicals in FCS. By combining these concentrations with daily intakes for food groups derived from NHANES, population ingestion exposures of chemical in mg/kg-bodyweight/day (mg/kg-BW/day) were estimated. Calibrated aggregate exposures were estimated for 1931 chemicals by fitting HT FCS and consumer product exposures to exposures inferred from NHANES biomonitoring (R 2 =0.61, pchemicals), they can provide critical refinement to aggregate exposure predictions used in risk-based chemical priority-setting. Published by Elsevier Ltd.

Chemical dependency and adolescent self-esteem.

Science.gov (United States)

Wasson, D; Anderson, M A

1995-08-01

The purpose of this descriptive study is to determine whether self-esteem differs between chemically dependent adolescents and adolescents from the general high school population. The Self-Esteem Inventory (Coopersmith, 1987) was completed by 119 adolescents (31 inpatient, 31 aftercare, and 57 general high school students) aged 13 to 18. Findings suggest that inpatient, chemically dependent adolescents have lower self-esteem than the other two groups. For the chemically dependent adolescent, nursing case management with communication among and between health care providers, school professionals, and family may facilitate successful, long-term recovery. For adolescents at risk for development of chemical dependence, nursing health promotion behaviors, such as early assessment and implementation of self-esteem-building activities, may assist in prevention of chemical dependency.

Chemicals to enhance microalgal growth and accumulation of high-value bioproducts

Directory of Open Access Journals (Sweden)

Xinheng eYu

2015-02-01

Full Text Available Photosynthetic microalgae have attracted significant attention as they can serve as important sources for cosmetic, food and pharmaceutical products, industrial materials and even biofuel biodiesels. However, current productivity of microalga-based processes is still very low, which has restricted their scale-up application. In addition to various efforts in strain improvement and cultivation optimization, it was proposed that the productivity of microalga-based processes can also be increased using various chemicals to trigger or enhance cell growth and accumulation of bioproducts. Herein, we summarized recent progresses in applying chemical triggers or enhancers to improve cell growth and accumulation of bioproducts in algal cultures. Based on their enhancing mechanisms, these chemicals can be classified into four categories：chemicals regulating biosynthetic pathways, chemicals inducing oxidative stress responses, phytohormones and analogues regulating multiple aspects of microalgal metabolism, and chemicals directly as metabolic precursors. Taken together, the early researches demonstrated that the use of chemical stimulants could be a very effective and economical way to improve cell growth and accumulation of high-value bioproducts in large-scale cultivation of microalgae.

Plant polyphenols: chemical properties, biological activities, and synthesis.

Science.gov (United States)

Quideau, Stéphane; Deffieux, Denis; Douat-Casassus, Céline; Pouységu, Laurent

2011-01-17

Eating five servings of fruits and vegetables per day! This is what is highly recommended and heavily advertised nowadays to the general public to stay fit and healthy! Drinking green tea on a regular basis, eating chocolate from time to time, as well as savoring a couple of glasses of red wine per day have been claimed to increase life expectancy even further! Why? The answer is in fact still under scientific scrutiny, but a particular class of compounds naturally occurring in fruits and vegetables is considered to be crucial for the expression of such human health benefits: the polyphenols! What are these plant products really? What are their physicochemical properties? How do they express their biological activity? Are they really valuable for disease prevention? Can they be used to develop new pharmaceutical drugs? What recent progress has been made toward their preparation by organic synthesis? This Review gives answers from a chemical perspective, summarizes the state of the art, and highlights the most significant advances in the field of polyphenol research. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chemical Composition and Insecticidal Activity of the Essential Oil of ...

African Journals Online (AJOL)

Purpose: To investigate the chemical composition and insecticidal activity of the essential oil of the aerial parts of Ostericum grosseserratum against the maize weevil, Sitophilus zeamaisD. Methods: Steam distillation of the aerial parts of O. grosseserratum during the flowering stage was carried out using a Clavenger ...

Direct chemical synthesis of 1 alpha,25-dihydroxy[26,27-3H] vitamin D3 with high specific activity: its use in receptor studies

International Nuclear Information System (INIS)

Napoli, J.L.; Mellon, W.S.; Fivizzani, M.A.; Schnoes, H.K.; DeLuca, H.F.

1980-01-01

The first direct chemical synthesis of radiolabeled 1 alpha, 25-dihydroxyvitamin D3 is reported. Unlike all previous syntheses, the new approach does not rely on enzymatic 1 alpha-hydroxylation of radiolabeled precursors. Rather, isotope is introduced in the last synthetic step by reaction of [3H] -methylmagnesium bromide with methyl 1 alpha-hydroxy-26,27-dinorvitamin D3-25-carboxylate to give 1 alpha,25-dihydroxy-[26,27-3H] vitamin D3 with a specific activity of 160 Ci/mmol. Mass spectroscopy confirmed that the radiohormone consists of a single isomer with six tritium atoms bound to carbons 26 and 27. Synthetically produced 1 alpha,25-dihydroxy [26,27-3H] vitamin D3 is indistinguishable from 1 alpha,25-dihydroxy-[26,27-3H] vitamin D3 obtained from the enzymatic 1 alpha-hydroxylation of 25-hydroxy[26,27-3H] vitamin D3 (160 Ci/mmol) by high-pressure liquid chromatography analysis and in the competitive binding assay using chick intestinal cytosol as the receptor source. Equilibrium dissociation constant measurements with the high specific activity radiohormone indicate a Kd of 8.2 x 10(-11) M for the chick intestinal cytosol 1 alpha,25-dihydroxyvitamin D3 receptor--a value considerably lower than the constants in the range of (1-5) x 10(-9) M previously reported

Stability of a chemically active floating disk

Science.gov (United States)

Vandadi, Vahid; Jafari Kang, Saeed; Rothstein, Jonathan; Masoud, Hassan

2017-11-01

We theoretically study the translational stability of a chemically active disk located at a flat liquid-gas interface. The initially immobile circular disk uniformly releases an interface-active agent that locally changes the surface tension and is insoluble in the bulk. If left unperturbed, the stationary disk remains motionless as the agent is discharged. Neglecting the inertial effects, we numerically test whether a perturbation in the translational velocity of the disk can lead to its spontaneous and self-sustained motion. Such a perturbation gives rise to an asymmetric distribution of the released factor that could trigger and sustain the Marangoni propulsion of the disk. An implicit Fourier-Chebyshev spectral method is employed to solve the advection-diffusion equation for the concentration of the active agent. The solution, given a linear equation of state for the surface tension, provides the shear stress distribution at the interface. This and the no-slip condition on the wetted surface of the disk are then used at each time step to semi-analytically determine the Stokes flow in the semi-infinite liquid layer. Overall, the findings of our investigation pave the way for pinpointing the conditions under which interface-bound active particles become dynamically unstable.

Improved chemical radioprotection following activation with dextran sulfate

International Nuclear Information System (INIS)

Bartonickova, A.; Vacek, A.; Rotkovska, D.

1982-01-01

The radioresistance was observed of mice after sublethal and lethal gamma irradiation following a combined application of dextran sulphate and the chemical radioprotectors cystamine and mexamine. The mechanism of the radioprotection by mexamine and cystamine is connected with their effect on the oxygen tension in tissues. With the application of dextran sulphate an increase was observed in metabolic activity of tissues and a reduced oxygen tension in the medium will result in a deeper cell hypoxia in the tissue. (M.D.)

Antibacterial activity of chemical constituents isolated from Asparagus racemosus

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Muhammad Abdullah Shah

2014-03-01

Full Text Available Asparagus racemosus is a medical extensively used in traditional medicine for various disorders including its use in infectious. So far work has been done to identify its active constituents responsible for antiseptic folk use of this plant. In the current investigation, we have made an effort to identify its chemical constituents that might be partly responsible for antimicrobial properties. Extraction and isolation of plant extract lead to isolation of two nor-lignans and two steroidal triterpenes (compound 1 to 4. All compound showed considerable antibacterial activities against E. coli and S. aureus while no significant activity was observed against S. typhi. This study highlighted the potential of A. racemosus to be further explored as a source of bioactive natural products.

A coupled theory for chemically active and deformable solids with mass diffusion and heat conduction

Science.gov (United States)

Zhang, Xiaolong; Zhong, Zheng

2017-10-01

To analyse the frequently encountered thermo-chemo-mechanical problems in chemically active material applications, we develop a thermodynamically-consistent continuum theory of coupled deformation, mass diffusion, heat conduction and chemical reaction. Basic balance equations of force, mass and energy are presented at first, and then fully coupled constitutive laws interpreting multi-field interactions and evolving equations governing irreversible fluxes are constructed according to the energy dissipation inequality and the chemical kinetics. To consider the essential distinction between mass diffusion and chemical reactions in affecting free energy and dissipations of a highly coupled system, we regard both the concentrations of diffusive species and the extent of reaction as independent state variables. This new formulation then distinguishes between the energy contribution from the diffusive species entering the solid and that from the subsequent chemical reactions occurring among these species and the host solid, which not only interact with stresses or strains in different manners and on different time scales, but also induce different variations of solid microstructures and material properties. Taking advantage of this new description, we further establish a specialized isothermal model to predict precisely the transient chemo-mechanical response of a swelling solid with a proposed volumetric constraint that accounts for material incompressibility. Coupled kinetics is incorporated to capture the volumetric swelling of the solid caused by imbibition of external species and the simultaneous dilation arised from chemical reactions between the diffusing species and the solid. The model is then exemplified with two numerical examples of transient swelling accompanied by chemical reaction. Various ratios of characteristic times of diffusion and chemical reaction are taken into account to shed light on the dependency on kinetic time scales of evolution patterns for

Heat Recovery from High Temperature Slags: A Review of Chemical Methods

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Yongqi Sun

2015-03-01

Full Text Available Waste heat recovery from high temperature slags represents the latest potential way to remarkably reduce the energy consumption and CO2 emissions of the steel industry. The molten slags, in the temperature range of 1723–1923 K, carry large amounts of high quality energy. However, the heat recovery from slags faces several fundamental challenges, including their low thermal conductivity, inside crystallization, and discontinuous availability. During past decades, various chemical methods have been exploited and performed including methane reforming, coal and biomass gasification, and direct compositional modification and utilization of slags. These methods effectively meet the challenges mentioned before and help integrate the steel industry with other industrial sectors. During the heat recovery using chemical methods, slags can act as not only heat carriers but also as catalysts and reactants, which expands the field of utilization of slags. Fuel gas production using the waste heat accounts for the main R&D trend, through which the thermal heat in the slag could be transformed into high quality chemical energy in the fuel gas. Moreover, these chemical methods should be extended to an industrial scale to realize their commercial application, which is the only way by which the substantial energy in the slags could be extracted, i.e., amounting to 16 million tons of standard coal in China.

Effect of textural and chemical characteristics of activated carbons on phenol adsorption in aqueous solutions

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Vargas Diana P.

2017-12-01

Full Text Available The effect of textural and chemical properties such as: surface area, pore volume and chemical groups content of the granular activated carbon and monoliths on phenol adsorption in aqueous solutions was studied. Granular activated carbon and monolith samples were produced by chemical activation. They were characterized by using N2 adsorption at 77 K, CO2 adsorption at 273 K, Boehm Titrations and immersion calorimetry in phenol solutions. Microporous materials with different pore size distribution, surface area between 516 and 1685 m2 g−1 and pore volumes between 0.24 and 0.58 cm3 g−1 were obtained. Phenol adsorption capacity of the activated carbon materials increased with increasing BET surface area and pore volume, and is favored by their surface functional groups that act as electron donors. Phenol adsorption capacities are in ranged between 73.5 and 389.4 mg · g−1.

Chemical composition and anti-bacterial activity of essential oil from ...

African Journals Online (AJOL)

This work assesses the chemical compositions and in vitro anti-bacterial activities of seed essential oil from Cedrela sinesis (A. Juss.) Roem. seed. which has abundant mineral elements such as K, Ca, Fe. The fatty acid profiles of seed essential oil are characterized by considerable unsaturated fatty acids (90.39%) ...

Chemical Composition and Antioxidant Activities of Three Polysaccharide Fractions from Pine Cones

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Pu Wang

2012-11-01

Full Text Available The traditional method of gas chromatography-mass spectrometry for monosaccharide component analysis with pretreatment of acetylation is described with slight modifications and verified in detail in this paper. It was then successfully applied to the quantitative analysis of component monosaccharides in polysaccharides extracted from the pine cones. The results demonstrated that the three pine cone polysaccharides all consisted of ribose, rhamnose, arabinose, xylose, mannose, glucose and galactose in different molar ratios. According to the recovery experiment, the described method was proved accurate and practical for the analysis of pine cone polysaccharides, meeting the need in the field of chemical analysis of Pinus plants. Furthermore; the chemical characteristics, such as neutral sugar, uronic acids, amino acids, molecular weights, and antioxidant activities of the polysaccharides were investigated by chemical and instrumental methods. The results showed that the chemical compositions of the polysaccharides differed from each other, especially in the content of neutral sugar and uronic acid. In the antioxidant assays, the polysaccharide fractions exhibited effective scavenging activities on ABTS radical and hydroxyl radical, with their antioxidant capabilities decreasing in the order of PKP > PAP > PSP. Therefore, although the polysaccharide fractions had little effect on superoxide radical scavenging, they still have potential to be developed as natural antioxidant agents in functional foods or medicine.

Chemical composition and antioxidant activity of phenolic compounds and essential oils from Calamintha nepeta L.

Science.gov (United States)

Khodja, Nabyla Khaled; Boulekbache, Lila; Chegdani, Fatima; Dahmani, Karima; Bennis, Faiza; Madani, Khodir

2018-05-24

Background Essential oils, infusion and decoction extracts of Calamintha nepeta L. were evaluated for their bioactive substances (polyphenols and essential oils) and antioxidant activities. Methods The amounts of phenolic compounds were determined by colorimetric assays and identified by high performance and liquid chromatography coupled with ultraviolet detector (HPLC-UV) method. The chemical composition of essential oils was determined by gas-chromatography coupled with mass spectrometry (GC/MS) method. For the evaluation of the antioxidant activity of essential oils and extracts, two different assays (reducing power and DPPH radical scavenging activity) were used. Results Infusion extract presented the highest phenolic content, followed by the decoction one, while the lowest amount was observed in essential oils. The amount of flavonoids of the decocted extract was higher than that of the infused one. The phenolic profile of C. nepeta infusion and decoction extracts revealed the presence of 28 and 13 peaks, respectively. Four phenolics compounds were identified in infusion (gallic acid (GA), rosmarinic acid (RA), caffeine (C) and caffeic acid (CA)) and two were identified in decoction (GA and RA). The chemical composition of essential oils revealed the presence of 29 compounds, accounting for the 99.7% of the total oils. Major compounds of essential oil (EO) were trans-menthone (50.06%) and pulegone (33.46%). Infusion and decoction extracts revealed an interesting antioxidant activity which correlates positively with their total phenolic contents. Conclusions These results showed that Calamintha nepeta could be considered as a valuable source of phenolics and essential oils with potent antioxidant activity.

Synthesis of high specific activity tritium labelled [2-3H]-adenosine-5'-triphosphate

International Nuclear Information System (INIS)

Jaiswal, D.K.; Morimoto, H.; Trump, E.L.; Williams, P.G.; Wemmer, D.E.

1996-01-01

A procedure for high level tritium labelling at the C2-H position of adenosine 5'-triphosphate ([2- 3 H]-ATP, 1), based on the tritiodehalogenation reaction of 2-bromoadenosine 5'-triphosphate (2) has been elaborated. This precursor was prepared in a six-step synthesis from guanosine. The tritiodehalogenation of (2) for three hours over palladium oxide in phosphate buffer yielded tritium labelled ATP with high specific activity, in good chemical yield. (author)

Chemical stability and osteogenic activity of plasma-sprayed boron-modified calcium silicate-based coatings.

Science.gov (United States)

Lu, Xiang; Li, Kai; Xie, Youtao; Huang, Liping; Zheng, Xuebin

2016-11-01

In recent years, CaSiO 3 bio-ceramic coatings have attracted great attention because of their good bioactivity. However, their high degradation rates in physiological environment restrict their practical applications. In this work, boron-modified CaSiO 3 ceramic (Ca 11 Si 4 B 2 O 22 , B-CS) coating was developed on Ti substrates by plasma-spraying technique attempting to obtain enhanced chemical stability and osteogenic activity. The B-CS coating possessed significantly increased chemical stability due to the introduction of boron and consequently the modified crystal structure, while maintaining good bioactivity. Scanning electron microscope and immunofluorescence studies showed that better cellular adhesion and extinctive filopodia-like processes were observed on the B-CS coating. Compared with the pure CaSiO 3 (CS) coating, the B-CS coating promoted MC3T3-E1 cells attachment and proliferation. In addition, enhanced collagen I (COL-I) secretion, alkaline phosphatase activity, and extracellular matrix mineralization levels were detected from the B-CS coating. According to RT-PCR results, notable up-regulation expressions of mineralized tissue-related genes, such as runt-related transcription factor 2 (Runx2), bone sialoprotein and osteocalcin, and bone morphogenetic protein 7 (BMP-7) were observed on the B-CS coating compared with the CS coating. The above results suggested that Ca 11 Si 4 B 2 O 22 coatings possess excellent osteogenic activity and might be a promising candidate for orthopedic applications.

Non-Hodgkin Lymphoma and Occupational Exposure to Agricultural Pesticide Chemical Groups and Active Ingredients: A Systematic Review and Meta-Analysis

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Leah Schinasi

2014-04-01

Full Text Available This paper describes results from a systematic review and a series of meta-analyses of nearly three decades worth of epidemiologic research on the relationship between non-Hodgkin lymphoma (NHL and occupational exposure to agricultural pesticide active ingredients and chemical groups. Estimates of associations of NHL with 21 pesticide chemical groups and 80 active ingredients were extracted from 44 papers, all of which reported results from analyses of studies conducted in high-income countries. Random effects meta-analyses showed that phenoxy herbicides, carbamate insecticides, organophosphorus insecticides and the active ingredient lindane, an organochlorine insecticide, were positively associated with NHL. In a handful of papers, associations between pesticides and NHL subtypes were reported; B cell lymphoma was positively associated with phenoxy herbicides and the organophosphorus herbicide glyphosate. Diffuse large B-cell lymphoma was positively associated with phenoxy herbicide exposure. Despite compelling evidence that NHL is associated with certain chemicals, this review indicates the need for investigations of a larger variety of pesticides in more geographic areas, especially in low- and middle-income countries, which, despite producing a large portion of the world’s agriculture, were missing in the literature that were reviewed.

Monodisperse, submicrometer-scale platinum colloidal spheres with high electrocatalytic activity

Energy Technology Data Exchange (ETDEWEB)

Zhang, Lixue; Wang, Liang; Guo, Shaojun; Zhai, Junfeng; Dong, Shaojun; Wang, Erkang [State Key Laboratory of Electroanalytical Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Graduate School of the Chinese Academy of Sciences, 130022 Jilin, Changchun (China)

2009-02-15

Monodisperse, submicrometer-scale platinum (Pt) colloidal spheres were prepared through a simple direct chemical reduction of p-phenylenediamine (PPD)-chloroplatinic acid (H{sub 2}PtCl{sub 6}) coordination polymer colloids. It was found that the prepared Pt colloids had the similar size and morphology with their coordination polymer precursors, and the prepared Pt colloids with rough surfaces were three-dimensional (3D) structured assemblies of high-density small Pt nanoparticles. The electrochemical experiments confirmed that the prepared Pt colloids possessed a high electrocatalytic activity towards mainly four-electron reduction of dioxygen to water, making the prepared Pt colloids potential candidates for the efficient cathode material in fuel cells. (author)

Chemical Composition and Antimicrobial Activity of Royal Jelly - Review

Directory of Open Access Journals (Sweden)

Lavinia Ioana Bărnuţiu

2011-10-01

Full Text Available The present paper presents the literature data regarding the chemical composition and antimicrobial activity of RoyalJelly. Royal Jelly is a secretion from the hypofaringeal glands of worker bees which serves as a food for queen beeand to the growing up larvae. Having biological properties already proven, Royal Jelly has considerable commercialappeal and is today used in many sectors (pharmaceutical, food industries and cosmetic products. Thephysicochemical composition of pure royal jelly are analyzed by determining moisture, ash, lipids, proteins,vitamins,aminoacids, carbohydrates, 10-HDA; RJ is the key substance in the antimicrobial function of the system Apismellifera. The intact Royal Jelly exhibited the highest antibacterial activity.

Activity Enhancement Based on the Chemical Equilibrium of Multiple-Subunit Nitrile Hydratase from Bordetella petrii.

Science.gov (United States)

Liu, Yi; Liu, Ping; Lin, Lu; Zhao, Yueqin; Zhong, Wenjuan; Wu, Lunjie; Zhou, Zhemin; Sun, Weifeng

2016-09-01

The maturation mechanism of nitrile hydratase (NHase) of Pseudomonas putida NRRL-18668 was discovered and named as "self-subunit swapping." Since the NHase of Bordetella petrii DSM 12804 is similar to that of P. putida, the NHase maturation of B. petrii is proposed to be the same as that of P. putida. However, there is no further information on the application of NHase according to these findings. We successfully rapidly purified NHase and its activator through affinity his tag, and found that the cell extracts of NHase possessed multiple types of protein ingredients including α, β, α2β2, and α(P14K)2 who were in a state of chemical equilibrium. Furthermore, the activity was significantly enhanced through adding extra α(P14K)2 to the cell extracts of NHase according to the chemical equilibrium. Our findings are useful for the activity enhancement of multiple-subunit enzyme and for the first time significantly increased the NHase activity according to the chemical equilibrium.

Preparation of carbon dioxide adsorbents from the chemical activation of urea-formaldehyde and melamine-formaldehyde resins

Energy Technology Data Exchange (ETDEWEB)

T.C. Drage; A. Arenillas; K.M. Smith; C. Pevida; S. Piippo; C.E. Snape [University of Nottingham, Nottingham (United Kingdom). Nottingham Fuel and Energy Centre, School of Chemical, Environmental and Mining Engineering

2007-01-15

Adsorption is considered to be one of the more promising technologies for the capture of CO{sub 2} from flue gases. In general, nitrogen enrichment is reported to be effective in enhancing the specific adsorbent-adsorbate interaction for CO{sub 2}. Nitrogen enriched carbons were produced from urea-formaldehyde and melamine-formaldehyde resins polymerised in the presence of K{sub 2}CO{sub 3} as a chemical activation agent, with activation undertaken over a range of temperatures. CO{sub 2} adsorption capacity was determined to be dependent upon both textural properties and more importantly nitrogen functionality. Adsorbents capable of capturing above 8 wt.% CO{sub 2} at 25{sup o}C were produced from the chemical activation of urea-formaldehyde resin at 500{sup o}C. Chemical activation seems to produce more effective adsorbents than CO{sub 2} activation. 29 refs., 4 figs., 3 tabs.

A doped activated carbon prepared from polyaniline for high performance supercapacitors

Energy Technology Data Exchange (ETDEWEB)

Li, Limin; Liu, Enhui; Li, Jian; Yang, Yanjing; Shen, Haijie; Huang, Zhengzheng; Xiang, Xiaoxia; Li, Wen [Key Laboratory of Environmentally Friendly Chemistry and Applications of Ministry of Education, College of Chemistry, Xiangtan University, Hunan 411105 (China)

2010-03-01

A novel doped activated carbon has been prepared from H{sub 2}SO{sub 4}-doped polyaniline which is prepared by the oxypolymerization of aniline. The morphology, surface chemical composition and surface area of the carbon have been investigated by scanning electron microscope, X-ray photoelectron spectroscopy and Brunaner-Emmett-Teller measurement, respectively. Electrochemical properties of the doped activated carbon have been studied by cyclic voltammograms, galvanostatic charge/discharge, and electrochemical impedance spectroscopy measurements in 6 mol l{sup -1} KOH. The specific capacitance of the carbon is as high as 235 F g{sup -1}, the specific capacitance hardly decreases at a high current density 11 A g{sup -1} after 10,000 cycles, which indicates that the carbon possesses excellent cycle durability and may be a promising candidate for supercapacitors. (author)

Chemically Designed Metallic/Insulating Hybrid Nanostructures with Silver Nanocrystals for Highly Sensitive Wearable Pressure Sensors.

Science.gov (United States)

Kim, Haneun; Lee, Seung-Wook; Joh, Hyungmok; Seong, Mingi; Lee, Woo Seok; Kang, Min Su; Pyo, Jun Beom; Oh, Soong Ju

2018-01-10

With the increase in interest in wearable tactile pressure sensors for e-skin, researches to make nanostructures to achieve high sensitivity have been actively conducted. However, limitations such as complex fabrication processes using expensive equipment still exist. Herein, simple lithography-free techniques to develop pyramid-like metal/insulator hybrid nanostructures utilizing nanocrystals (NCs) are demonstrated. Ligand-exchanged and unexchanged silver NC thin films are used as metallic and insulating components, respectively. The interfaces of each NC layer are chemically engineered to create discontinuous insulating layers, i.e., spacers for improved sensitivity, and eventually to realize fully solution-processed pressure sensors. Device performance analysis with structural, chemical, and electronic characterization and conductive atomic force microscopy study reveals that hybrid nanostructure based pressure sensor shows an enhanced sensitivity of higher than 500 kPa -1 , reliability, and low power consumption with a wide range of pressure sensing. Nano-/micro-hierarchical structures are also designed by combining hybrid nanostructures with conventional microstructures, exhibiting further enhanced sensing range and achieving a record sensitivity of 2.72 × 10 4 kPa -1 . Finally, all-solution-processed pressure sensor arrays with high pixel density, capable of detecting delicate signals with high spatial selectivity much better than the human tactile threshold, are introduced.

Pachira glabra Pasq. essential oil: chemical constituents, antimicrobial and insecticidal activities.

Science.gov (United States)

Lawal, Oladipupo A; Ogunwande, Isiaka A; Salvador, Atinuke F; Sanni, Adetayo A; Opoku, Andy R

2014-01-01

The chemical composition of essential oil obtained by hydrodistillation of the leaves of Pachira glabra Pasq., (PgEO) has been studied by Gas Chromatography (GC) and Gas Chromatography coupled with Mass Spectrometry (GC/MS). Thirty three constituents representing 98.4% of total contents were identified from the essential oil. The major constituents of oil were limonene (23.2%), β-caryophyllene (14.5%), phtyol (8.5%) and β-bisabolene (6.3%). The antimicrobial activity of the PgEO was evaluated against a panel of ten bacteria and three fungal strain using agar diffusion and broth microdilution methods. Results have shown that the PgEO exhibited moderate to strong antimicrobial activity against the tested microorganisms except Citrobacter youagae, Micrococcus spp. and Proteus spp. The activity zones of inhibition (ZI) and minimum inhibitory concentrations (MIC) ranged between 13.7 mm-24.0 mm and 0.3 mg/mL-2.5 mg/mL, respectively. The insecticidal activity of PgEO was assayed against the adult Sitophilus zeamais. The lethal concentrations (LC50 and LC90) of the PgEO showed it to be toxic against adult S. zeamais at 32.2 and 53.7 mg/mL, respectively. This is the first report on the chemical composition and in vitro biological activities of essential oil of P. glabra growing in Nigeria.

Chemical composition and antimicrobial activity of the essential oils of Pinus pinaster

Directory of Open Access Journals (Sweden)

Nouara Ait Mimoune

2013-08-01

Full Text Available Objective: To investigate the antimicrobial activity and chemical composition of essential oils of Pinus pinaster. Methods: Essential oils were extracted from the needles by hydrodistillation. The chemical composition of the obtained essential oils was analyzed using GC-MS technique. The antimicrobial potential has been tested against six microorganisms performing the disc diffusion assay. Results: Twenty-three components have been identified. β-caryophyllene (30.9% and β-selinene (13.45% were predominant compounds. The essential oil exhibited a moderate activity against Staphylococcus aureus, Bacillus subtilis and Escherichia coli, but did not affect the growth of Erwinia amylovora. Aspergillus flavus and Aspergillus niger were not inhibited by maritime pine essential oils. Conclusions: The essential oils from Pinus pinaster can be used as an antibacterial agent.

Chemical Evolution of a Protoplanetary Disk

Science.gov (United States)

Semenov, Dmitry A.

2011-12-01

In this paper we review recent progress in our understanding of the chemical evolution of protoplanetary disks. Current observational constraints and theoretical modeling on the chemical composition of gas and dust in these systems are presented. Strong variations of temperature, density, high-energy radiation intensities in these disks, both radially and vertically, result in a peculiar disk chemical structure, where a variety of processes are active. In hot, dilute and heavily irradiated atmosphere only the most photostable simple radicals and atoms and atomic ions exist, formed by gas-phase processes. Beneath the atmosphere a partly UV-shielded, warm molecular layer is located, where high-energy radiation drives rich ion-molecule and radical-radical chemistry, both in the gas phase and on dust surfaces. In a cold, dense, dark disk midplane many molecules are frozen out, forming thick icy mantles where surface chemistry is active and where complex polyatomic (organic) species are synthesized. Dynamical processes affect disk chemical composition by enriching it in abundances of complex species produced via slow surface processes, which will become detectable with ALMA.

Supporting read-across predictions of chemical toxicity using high-throughput text-mining (ACS 2017 Spring meeting )

Science.gov (United States)

Read-across is a technique used to fill data gaps within chemical safety assessments. It is based on the premise that chemicals with similar structures are likely to have similar biological activities. Known information on the property of a chemical (source) is used to make a pre...

Evaluation of activities of carbons in chemical equilibrium with uranium carbonitride

International Nuclear Information System (INIS)

Katsura, Masahiro; Hirota, Masayuki; Miyake, Masanobu; Hamada, Kazuo.

1992-01-01

A mixture of uranium sesquinitride and carbon was prepared by the reaction of UC of UC 2 with N 2 in the temperature range from 700 to 1400degC. When the mixture of uranium sesquinitride and carbon is kept at temperatures above 1200degC in the atmosphere of N 2 at low pressure, the state where uranium carbonitride (UC 1-x N x ) and carbon are present together in chemical equilibrium will be established. A thermodynamic analysis suggests that, in the equilibrium state, the composition of UC 1-x N x is determined by the chemical activity of carbon, a c , which is related to the chemical potential of the carbon, μ c , by the equation, μ c = μ c deg + RT 1n a c . Here μ c deg refers to graphite, which is usually taken as the standard state of carbon (a c = 1). Mixtures of U 2 N 3 and carbon with several degrees of graphitization were heat-treated at 1400degC, and the composition of UC 1-x N x in the reaction product was determined. From these experimental results and the thermodynamic analysis, values of the activity of the carbon coexisting with UC 1-x N x were estimated. (author)

Chemical analysis and antioxidant activity in vitro of polysaccharides extracted from Boletus edulis.

Science.gov (United States)

Zhang, Anqiang; Xiao, Nannan; He, Pengfei; Sun, Peilong

2011-12-01

Boletus edulis is a well-known delicious mushroom. In this study, three crude polysaccharides (BEPF30, BEPF60 and BEPF80) were isolated from the fruiting bodies of B. edulis with boiling water. Chemical and physical characteristics of the three crude polysaccharides were investigated by the combination of chemical and instrumental analysis methods. Their antioxidant activities were investigated in vitro systems including hydroxyl assay, superoxide radical assay, reducing power and chelating activity. Among these three polysaccharides, BEPF60 showed more significant reducing power and chelating activity; and highest inhibitory effects on superoxide radical and hydroxyl radical. These results indicated that polysaccharides extracted from B. edulis might be employed as ingredients in healthy and functional food to alleviate the oxidative stress. Copyright © 2011 Elsevier B.V. All rights reserved.

Development of highly microporous activated carbon from the alcoholic beverage industry organic by-products

International Nuclear Information System (INIS)

Nieto-Delgado, C.; Terrones, M.; Rangel-Mendez, J.R.

2011-01-01

This work has the aim to employ the agave bagasse, a waste from Tequila and Mescal industries, to obtain a product of high commercial value such as activated carbon. The activated carbon production methodology was based on a chemical activation, by using ZnCl 2 and H 3 PO 4 as activating agent and agave bagasse as a natural source of carbon. The activation temperature (150-450 o C), activation time (0-60 min) and weight ratio of activating agent to precursor (0.2-4) were studied. The produced carbon materials were characterized by scanning electron microscopy (SEM), thermogravimetric analysis (TGA) and nitrogen physisorption at -196 o C. In addition, the activating agent recovery was evaluated. We were able to obtain highly microporous activated carbons with micropore volumes between 0.24 and 1.20 cm 3 /g and a surface area within 300 and 2139 m 2 /g. These results demonstrated the feasibility to treat the industrial wastes of the Tequila and Mescal industries, being this wastes an excellent precursor to produce highly microporous activated carbons that can be processed at low activation temperatures in short times, with the possibility of recycling the activating agent.

Chemicals in Meat Cooked at High Temperatures and Cancer Risk

Science.gov (United States)

... Services Directory Cancer Prevention Overview Research Chemicals in Meat Cooked at High Temperatures and Cancer Risk On ... hydrocarbons, and how are they formed in cooked meats? What factors influence the formation of HCA and ...

Chemical Profile and Antioxidant Activity of the Oil from Peony Seeds (Paeonia suffruticosa Andr.

Directory of Open Access Journals (Sweden)

Xin Yang

2017-01-01

Full Text Available Peony seed oil (PSO is a novel vegetable oil developed from the seeds of Paeonia suffruticosa Andr. The present study aimed to make an overall investigation on the chemical profile and antioxidant activities of PSO for reasonable development and utilization of this new resource food. Chemical analysis revealed that PSO was characterized by an uncommon high portion of α-linolenic acid (>38%, fairly low ratio of n-6 to n-3 polyunsaturated fatty acids (0.69, and much higher content of γ-tocopherol than various conventional seed oils. In vitro assay indicated that PSO is a more potent scavenger of free radicals than extra virgin olive oil. Moderate intake of PSO exhibited obvious protection against various oxidative damages such as tetrachloromethane-induced acute liver injury in mice and diet-induced hyperlipidemia in rats. The changes in the key indicators of oxidative injury and fatty acid composition in the liver caused by PSO administration were measured, and the results demonstrated that antioxidant properties of PSO are closely related to their characteristic chemical composition. Consequently, the present study provided new evidence for the health implications of PSO, which deserves further development for medical and nutritional use against oxidative damages that are associated with various diseases.

Long-term α-hazard of high activity waste from nuclear fuel reprocessing

International Nuclear Information System (INIS)

Girardi, F.; Bertozzi, G.

1974-01-01

The concentration and decay of α-emitters in high activity waste arising from spent nuclear fuel reprocessing was calculated under specified reference conditions. An attempt to evaluate the long-term hazard of such waste is being made by applying the ''barrier'' approach derived from reactor safety studies. Four barriers were identified, which could be evaluated in a probabilistic way by taking into account the great uncertainties present in each of them. The barriers are: 1) quality of the segregation afforded by deep geological formations, 2) stability of conditioned waste (chemical and physical), 3) retention by immediate surrounding, 4) distribution pattern of actinides in the environment. The analysis of a fictional accident showed that the uncertainties connected with the evaluation of the barriers' value are rather large. Additional studies particularly on the stability of conditioned waste and ecological properties of the environment towards actinides, would considerably improve our knowledge of the value of the barrier system. Chemical separation of actinides from high activity waste would be an additional option of undoubted value for the disposal of high activity waste. Its value for the overall safety of the entire waste inventory depends on many factors which need better evaluation, such as safety of the disposal of the separated actinides and the amount and quality of the additional waste generated by the separation process. An analysis of various levels of possible separations suggests that a reasonable target might be: Pu, Am and Cm, decontamination factor 10 3 ; Np, coextraction with U and Pu with a 90% yield

Cyanobacteria as a Platform for the High-Value Chemicals Production

DEFF Research Database (Denmark)

Wlodarczyk, Artur Jacek

and cheap fertilizer as a medium for the cultivation of engineered cyanobacterial strains is shown. Alternative strategy to engineer Synechocystis sp. PCC 6803 as a universal platform for the sustainable production of diverse range high-value phenylpropanoids which find use as pharmaceuticals, cosmetics......Emerging problems like increasing global warming and depletion of fossil fuels bring serious concerns regarding production of food and various chemicals in the future. Clearly, there is a need for finding alternative and more sustainable ways of producing chemicals in order to satisfy increasing...... consumer demands of an ever growing population. Considering the ability to convert solar energy and carbon dioxide into biomass, cyanobacteria and microalgae have potential for becoming such alternative in the future. Biosynthesis of a great number of plant high-value secondary metabolites requires...

Synthesis of nano-sized amorphous boron powders through active dilution self-propagating high-temperature synthesis method

Energy Technology Data Exchange (ETDEWEB)

Wang, Jilin [The State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Gu, Yunle [School of Material Science and Engineering, Wuhan Institute of Technology, Wuhan 430073 (China); Li, Zili [The State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Wang, Weimin, E-mail: wangwm@hotmail.com [The State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Fu, Zhengyi [The State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China)

2013-06-01

Graphical abstract: Nano-sized amorphous boron powders were synthesized by active dilution self-propagating high-temperature synthesis (SHS) method. The effects of endothermic reaction rate, the possible chemical reaction mechanism and active dilution model for synthesis of the product were also discussed. Highlights: ► Nano-sized amorphous boron powders were synthesized by active dilution self-propagating high-temperature synthesis method. ► The morphology, particle size and purity of the samples could be effectively controlled via changing the endothermic rate. ► The diluter KBH{sub 4} played an important role in active dilution synthesis of amorphous nano-sized boron powders. ► The active dilution method could be further popularized and become a common approach to prepare various inorganic materials. - Abstract: Nano-sized amorphous boron powders were synthesized by active dilution self-propagating high-temperature synthesis (SHS) method at temperatures ranging from 700 °C to 850 °C in a SHS furnace using Mg, B{sub 2}O{sub 3} and KBH{sub 4} as raw materials. Samples were characterized by X-ray powder diffraction (XRD), Laser particle size analyzer, Fourier transform infrared spectra (FTIR), X-ray energy dispersive spectroscopy (EDX), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and high-resolution transmission TEM (HRTEM). The boron powders demonstrated an average particle size of 50 nm with a purity of 95.64 wt.%. The diluter KBH{sub 4} played an important role in the active dilution synthesis of amorphous nano-sized boron powders. The effects of endothermic reaction rate, the possible chemical reaction mechanism and active dilution model for synthesis of the product were also discussed.

Synthesis of nano-sized amorphous boron powders through active dilution self-propagating high-temperature synthesis method

International Nuclear Information System (INIS)

Wang, Jilin; Gu, Yunle; Li, Zili; Wang, Weimin; Fu, Zhengyi

2013-01-01

Graphical abstract: Nano-sized amorphous boron powders were synthesized by active dilution self-propagating high-temperature synthesis (SHS) method. The effects of endothermic reaction rate, the possible chemical reaction mechanism and active dilution model for synthesis of the product were also discussed. Highlights: ► Nano-sized amorphous boron powders were synthesized by active dilution self-propagating high-temperature synthesis method. ► The morphology, particle size and purity of the samples could be effectively controlled via changing the endothermic rate. ► The diluter KBH 4 played an important role in active dilution synthesis of amorphous nano-sized boron powders. ► The active dilution method could be further popularized and become a common approach to prepare various inorganic materials. - Abstract: Nano-sized amorphous boron powders were synthesized by active dilution self-propagating high-temperature synthesis (SHS) method at temperatures ranging from 700 °C to 850 °C in a SHS furnace using Mg, B 2 O 3 and KBH 4 as raw materials. Samples were characterized by X-ray powder diffraction (XRD), Laser particle size analyzer, Fourier transform infrared spectra (FTIR), X-ray energy dispersive spectroscopy (EDX), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and high-resolution transmission TEM (HRTEM). The boron powders demonstrated an average particle size of 50 nm with a purity of 95.64 wt.%. The diluter KBH 4 played an important role in the active dilution synthesis of amorphous nano-sized boron powders. The effects of endothermic reaction rate, the possible chemical reaction mechanism and active dilution model for synthesis of the product were also discussed

Assessment of activated carbon prepared from corncob by chemical activation with phosphoric acid

Directory of Open Access Journals (Sweden)

Gamal O. El-Sayed

2014-09-01

Full Text Available Corncob, which is the main waste from corn agricultures in Egypt, has been used as a raw material for the preparation of different activated carbons. Activated carbons (ACs were prepared by chemical activation with concentrated H3PO4 acid; followed by pyrolysis at 400, 500 and 600 °C. Different ACs have been used for the removal of methylene blue (MB dye from aqueous solutions. Batch adsorption experiments were performed as a function of initial dye concentration, contact time, adsorbent dose and pH. Adsorption data were modeled using the Langmuir and Freundlich adsorption isotherms. Adsorption of MB on AC1 (R2=0.9868 and AC2 (R2=0.9810 followed Langmuir model with maximum monolayer sorption capacity of 28.65 and 17.57 mg/g, respectively. Adsorption onto AC3 was better fitted to Freundlich isotherm model (R2=0.9823.

Californium-252 neutron activation analysis of high-level processed nuclear tank waste

International Nuclear Information System (INIS)

Troyer, G.L.; Purcell, M.A.

2000-01-01

The basis for production assessment of the vitrification of Hanford nuclear fuel reprocessing wastes will be high-precision measurements of the elemental sodium content. However, the chemical analysis of both radioactive and nonradioactive components in nuclear waste can be challenged by high radiation dose rates. The dose rates compromise many analytical techniques as well as pose personnel dosimetry risks. In many cases, reduction of dose rates through dilution compromises the precision and sensitivity for certain key components. The use of neutron activation analysis (NAA) provides a method of analysis that avoids the need for dilutions or extensive sample preparation. These waste materials also contain trace quantities of fissionable isotopes, which, through neutron activation, can be estimated by delayed neutron counting of fissioned fragments

High-Temperature Compatible Nickel Silicide Thermometer And Heater For Catalytic Chemical Microreactors

DEFF Research Database (Denmark)

Jensen, Søren; Quaade, U.J.; Hansen, Ole

2005-01-01

Integration of heaters and thermometers is important for agile and accurate control and measurement of the thermal reaction conditions in microfabricated chemical reactors (microreactors). This paper describes development and operation of nickel silicide heaters and temperature sensors...... for temperatures exceeding 700 °C. The heaters and thermometers are integrated with chemical microreactors for heterogeneous catalytic conversion of gasses, and thermally activated catalytic conversion of CO to CO2 in the reactors is demonstrated. The heaters and thermometers are shown to be compatible...

Nuclear industry - challenges in chemical engineering

International Nuclear Information System (INIS)

Sen, S.; Sunder Rajan, N.S.; Balu, K.; Garg, R.K.; Murthy, L.G.K.; Ramani, M.P.S.; Rao, M.K.; Sadhukhan, H.K.; Venkat Raj, V.

1978-01-01

Chemical engineering processes and operations are closely involved in every step of the nuclear fuel cycle. Starting from mining and milling of the ore through the production of fuel and other materials and their use in nuclear reactors, fuel reprocessing, fissile material recycle and treatment and disposal of fission product wastes, each step presents a challenge to the chemical engineer to evolve and innovate processes and techniques for more efficient utilization of the energy in the atom. The requirement of high recovery of the desired components at high purity levels is in itself a challenge. ''Nuclear Grade'' specifications for materials put a requirement which very few industries can satisfy. Recovery of uranium and thorium from low grade ores, of heavy water from raw water, etc. are examples. Economical and large scale separation of isotopes particularly those of heavy elements is a task for which processess are under various stages of development. Further design of chemical plants such as fuel reprocessing plants and high level waste treatment plants, which are to be operated and maintained remotely due to the high levels of radio-activity call for engineering skills which are being continually evolved. In the reactor, analysis of the fluid mechanics and optimum design of heat removal system are other examples where a chemical engineer can play a useful role. In addition to the above, the activities in the nuclear industry cover a very wide range of chemical engineering applications, such as desalination and other energy intensive processes, radioisotope and radiation applications in industry, medicine and agriculture. (auth.)

Chemical composition of needles and cambial activity of stems of Scots pine trees affected by air pollutants in Polish forests

Science.gov (United States)

Wojciech Dmuchowski; Ewa U. Kurczynska; Wieslaw Wloch

1998-01-01

The impact of environmental pollution is defined for the chemical composition of Scots pine (Pinus sylvestris L.) needles and cambial activity in the tree stems in Polish forests. The research investigated 20-year-old trees growing in two areas in significantly different levels of pollution. The highly polluted area was located near the Warsaw...

In Situ Earthworm Breeding to Improve Soil Aggregation, Chemical Properties, and Enzyme Activity in Papayas

Directory of Open Access Journals (Sweden)

Huimin Xiang

2018-04-01

Full Text Available The long-term use of mineral fertilizers has decreased the soil fertility in papaya (Carica papaya L. orchards in South China. In situ earthworm breeding is a new sustainable practice for improving soil fertility. A field experiment was conducted to compare the effects of four treatments consisting of the control (C, chemical fertilizer (F, compost (O, and in situ earthworm breeding (E on soil physico-chemical properties and soil enzyme activity in a papaya orchard. The results showed that soil chemical properties, such as pH, soil organic matter (SOM, total nitrogen (TN, available nitrogen (AN, and total phosphorus (TP were significantly improved with the E treatment but declined with the F treatment. On 31 October 2008, the SOM and TN with the O and E treatments were increased by 26.3% and 15.1%, respectively, and by 32.5% and 20.6% compared with the F treatment. Furthermore, the O and E treatments significantly increased the activity of soil urease and sucrase. Over the whole growing season, soil urease activity was 34.4%~40.4% and 51.1%~58.7% higher with the O and E treatments, respectively, than that with the C treatment. Additionally, the activity of soil sucrase with the E treatment was always the greatest of the four treatments, whereas the F treatment decreased soil catalase activity. On 11 June 2008 and 3 July 2008, the activity of soil catalase with the F treatment was decreased by 19.4% and 32.0% compared with C. Soil bulk density with the four treatments was in the order of O ≤ E < F < C. The O- and E-treated soil bulk density was significantly lower than that of the F-treated soil. Soil porosity was in the order of C < F < E < O. Soil porosity with the O and E treatments was 6.0% and 4.7% higher, respectively, than that with the F treatment. Meanwhile, the chemical fertilizer applications significantly influenced the mean weight diameter (MWD of the aggregate and proportion of different size aggregate fractions. The E treatment

Chemically activated nanodiamonds for aluminum alloy corrosion protection and monitoring

Science.gov (United States)

Hannstein, Inga; Adler, Anne-Katrin; Lapina, Victoria; Osipov, Vladimir; Opitz, Jörg; Schreiber, Jürgen; Meyendorf, Norbert

2009-03-01

In the present study, a smart coating for light metal alloys was developed and investigated. Chemically activated nanodiamonds (CANDiT) were electrophoretically deposited onto anodized aluminum alloy AA2024 substrates in order to increase corrosion resistance, enhance bonding properties and establish a means of corrosion monitoring based on the fluorescence behavior of the particles. In order to create stable aqueous CANDiT dispersions suitable for electrophoretic deposition, mechanical milling had to be implemented under specific chemical conditions. The influence of the CANDiT volume fraction and pH of the dispersion on the electrochemical properties of the coated samples was investigated. Linear voltammetry measurements reveal that the chemical characteristics of the CANDiT dispersion have a distinct influence on the quality of the coating. The fluorescence spectra as well as fluorescence excitation spectra of the samples show that corrosion can be easily detected by optical means. Furthermore, an optimization on the basis of "smart" - algorithms for the data processing of a surface analysis by the laser-speckle-method is presented.

Chemical composition and lipoxygenase activity in soybeans (Glycine max L. Merr.) submitted to gamma irradiation

Science.gov (United States)

Barros, Érica Amanda de; Broetto, Fernando; Bressan, Dayanne F.; Sartori, Maria M. P.; Costa, Vladimir E.

2014-05-01

Soybeans are an important food due to their functional and nutritional characteristics. However, consumption by western populations is limited by the astringent taste of soybeans and their derivatives which results from the action of lipoxygenase, an enzyme activated during product processing. The aim of this study was to evaluate the effect of gamma irradiation on the chemical composition and specific activity of lipoxygenase in different soybean cultivars. Soybeans were stored in plastic bags and irradiated with doses of 2.5, 5 and 10 kGy. The chemical composition (moisture, protein, lipids, ashes, crude fiber, and carbohydrates) and lipoxygenase specific activity were determined for each sample. Gamma irradiation induced a small increase of protein and lipid content in some soybean cultivars, which did not exceed the highest content of 5% and 26%, respectively, when compared to control. Lipoxygenase specific activity decreased in the three cultivars with increasing gamma irradiation dose. In conclusion, the gamma irradiation doses used are suitable to inactivate part of lipoxygenase while not causing expressive changes in the chemical composition of the cultivars studied.

Activated polyaniline-based carbon nanoparticles for high performance supercapacitors

International Nuclear Information System (INIS)

Zhou, Jin; Zhu, Tingting; Xing, Wei; Li, Zhaohui; Shen, Honglong; Zhuo, Shuping

2015-01-01

Polyaniline (PANI) nanoparticles have been prepared by disperse polymerization of aniline in the presence of poly(4-styrenesulfonate). The PANI nanoparticles are further subjected to pyrolysis treatment and chemical-activation to prepare the activated nitrogen-doped carbon nanoparticles (APCNs). The porosity, structure and nitrogen-doped surface chemistry are analyzed by a varies of means, such as scanning electron microscopy, transition electron microscopy, N 2 sorption, X-ray diffraction and X-ray photoelectron spectroscopy. The capacitive performance of the APCNs materials are test in 6 M KOH electrolyte. Benefitting from the abundant micropores with short length, large specific surface area, hierarchical porosity and heteroatom-doped polar pore surface, the APCNs materials exhibit v exhibit very high specific capacitance up to 341 F g −1 , remarkable power capability and excellent long-term cyclic stability (96.6% after 10 000 cycles). At 40 A g −1 , APCN-2 carbon shows a capacitance of 164 F g −1 , responding to a high energy and power densities of 5.7 Wh kg −1 and 10 000 W kg −1

Chemical Composition and Antimicrobial Activity of Echinophora spinosa L. (Apiaceae Essential Oil

Directory of Open Access Journals (Sweden)

Jasmina M. Glamočlija

2011-01-01

Full Text Available The present study was undertaken to investigate the chemical composition and effectiveness of the essential oil isolated from Echinophora spinosa on different bacterial and fungal species. Chemical analysis (GC/MS showed that δ³-carene (60,86 %, α-phellandrene (7,12%, p-cymene (6,22 %, myrcene (4,82 % and β-phellandrene (2,73 % were dominant components in this oil. Essential oil tested showed good antimicrobial activity. Antimicrobial potential of this oil was higher than potential of commercial antimicrobial drugs tested, streptomycin, bifonozole and ketoconazole.

Biosensor discovery of thyroxine transport disrupting chemicals

International Nuclear Information System (INIS)

Marchesini, Gerardo R.; Meimaridou, Anastasia; Haasnoot, Willem; Meulenberg, Eline; Albertus, Faywell; Mizuguchi, Mineyuki; Takeuchi, Makoto; Irth, Hubertus; Murk, Albertinka J.

2008-01-01

Ubiquitous chemicals may interfere with the thyroid system that is essential in the development and physiology of vertebrates. We applied a surface plasmon resonance (SPR) biosensor-based screening method for the fast screening of chemicals with thyroxine (T4) transport disrupting activity. Two inhibition assays using the main thyroid hormone transport proteins, T4 binding globulin (TBG) and transthyretin (TTR), in combination with a T4-coated biosensor chip were optimized and automated for screening chemical libraries. The transport protein-based biosensor assays were rapid, high throughput and bioeffect-related. A library of 62 chemicals including the natural hormones, polychlorinated biphenyls (PCBs), polybrominated diphenylethers (PBDEs) and metabolites, halogenated bisphenol A (BPA), halogenated phenols, pharmaceuticals, pesticides and other potential environmentally relevant chemicals was tested with the two assays. We discovered ten new active compounds with moderate to high affinity for TBG with the TBG assay. Strikingly, the most potent binding was observed with hydroxylated metabolites of the brominated diphenyl ethers (BDEs) BDE 47, BDE 49 and BDE 99, that are commonly found in human plasma. The TTR assay confirmed the activity of previously identified hydroxylated metabolites of PCBs and PBDEs, halogenated BPA and genistein. These results show that the hydroxylated metabolites of the ubiquitous PBDEs not only target the T4 transport at the TTR level, but also, and to a great extent, at the TBG level where most of the T4 in humans is circulating. The optimized SPR biosensor-based transport protein assay is a suitable method for high throughput screening of large libraries for potential thyroid hormone disrupting compounds

Biosensor discovery of thyroxine transport disrupting chemicals.

Science.gov (United States)

Marchesini, Gerardo R; Meimaridou, Anastasia; Haasnoot, Willem; Meulenberg, Eline; Albertus, Faywell; Mizuguchi, Mineyuki; Takeuchi, Makoto; Irth, Hubertus; Murk, Albertinka J

2008-10-01

Ubiquitous chemicals may interfere with the thyroid system that is essential in the development and physiology of vertebrates. We applied a surface plasmon resonance (SPR) biosensor-based screening method for the fast screening of chemicals with thyroxine (T4) transport disrupting activity. Two inhibition assays using the main thyroid hormone transport proteins, T4 binding globulin (TBG) and transthyretin (TTR), in combination with a T4-coated biosensor chip were optimized and automated for screening chemical libraries. The transport protein-based biosensor assays were rapid, high throughput and bioeffect-related. A library of 62 chemicals including the natural hormones, polychlorinated biphenyls (PCBs), polybrominated diphenylethers (PBDEs) and metabolites, halogenated bisphenol A (BPA), halogenated phenols, pharmaceuticals, pesticides and other potential environmentally relevant chemicals was tested with the two assays. We discovered ten new active compounds with moderate to high affinity for TBG with the TBG assay. Strikingly, the most potent binding was observed with hydroxylated metabolites of the brominated diphenyl ethers (BDEs) BDE 47, BDE 49 and BDE 99, that are commonly found in human plasma. The TTR assay confirmed the activity of previously identified hydroxylated metabolites of PCBs and PBDEs, halogenated BPA and genistein. These results show that the hydroxylated metabolites of the ubiquitous PBDEs not only target the T4 transport at the TTR level, but also, and to a great extent, at the TBG level where most of the T4 in humans is circulating. The optimized SPR biosensor-based transport protein assay is a suitable method for high throughput screening of large libraries for potential thyroid hormone disrupting compounds.

Modeling chemical kinetics graphically

NARCIS (Netherlands)

Heck, A.

2012-01-01

In literature on chemistry education it has often been suggested that students, at high school level and beyond, can benefit in their studies of chemical kinetics from computer supported activities. Use of system dynamics modeling software is one of the suggested quantitative approaches that could

Discovery of a highly selective chemical inhibitor of matrix metalloproteinase-9 (MMP-9) that allosterically inhibits zymogen activation.

Science.gov (United States)

Scannevin, Robert H; Alexander, Richard; Haarlander, Tara Mezzasalma; Burke, Sharon L; Singer, Monica; Huo, Cuifen; Zhang, Yue-Mei; Maguire, Diane; Spurlino, John; Deckman, Ingrid; Carroll, Karen I; Lewandowski, Frank; Devine, Eric; Dzordzorme, Keli; Tounge, Brett; Milligan, Cindy; Bayoumy, Shariff; Williams, Robyn; Schalk-Hihi, Celine; Leonard, Kristi; Jackson, Paul; Todd, Matthew; Kuo, Lawrence C; Rhodes, Kenneth J

2017-10-27

Aberrant activation of matrix metalloproteinases (MMPs) is a common feature of pathological cascades observed in diverse disorders, such as cancer, fibrosis, immune dysregulation, and neurodegenerative diseases. MMP-9, in particular, is highly dynamically regulated in several pathological processes. Development of MMP inhibitors has therefore been an attractive strategy for therapeutic intervention. However, a long history of failed clinical trials has demonstrated that broad-spectrum MMP inhibitors have limited clinical utility, which has spurred the development of inhibitors selective for individual MMPs. Attaining selectivity has been technically challenging because of sequence and structural conservation across the various MMPs. Here, through a biochemical and structural screening paradigm, we have identified JNJ0966, a highly selective compound that inhibited activation of MMP-9 zymogen and subsequent generation of catalytically active enzyme. JNJ0966 had no effect on MMP-1, MMP-2, MMP-3, MMP-9, or MMP-14 catalytic activity and did not inhibit activation of the highly related MMP-2 zymogen. The molecular basis for this activity was characterized as an interaction of JNJ0966 with a structural pocket in proximity to the MMP-9 zymogen cleavage site near Arg-106, which is distinct from the catalytic domain. JNJ0966 was efficacious in reducing disease severity in a mouse experimental autoimmune encephalomyelitis model, demonstrating the viability of this therapeutic approach. This discovery reveals an unprecedented pharmacological approach to MMP inhibition, providing an opportunity to improve selectivity of future clinical drug candidates. Targeting zymogen activation in this manner may also allow for pharmaceutical exploration of other enzymes previously viewed as intractable drug targets. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

Atmospheric-pressure electric discharge as an instrument of chemical activation of water solutions

Science.gov (United States)

Rybkin, V. V.; Shutov, D. A.

2017-11-01

Results of experimental studies and numerical simulations of physicochemical characteristics of plasmas generated in different types of atmospheric-pressure discharges (pulsed streamer corona, gliding electric arc, dielectric barrier discharge, glow-discharge electrolysis, diaphragmatic discharge, and dc glow discharge) used to initiate various chemical processes in water solutions are analyzed. Typical reactor designs are considered. Data on the power supply characteristics, plasma electron parameters, gas temperatures, and densities of active particles in different types of discharges excited in different gases and their dependences on the external parameters of discharges are presented. The chemical composition of active particles formed in water is described. Possible mechanisms of production and loss of plasma particles are discussed.

Antioxidant Activities and Chemical Constituents of Flavonoids from the Flower of Paeonia ostii.

Science.gov (United States)

Zhang, Huifang; Li, Xiaofang; Wu, Ke; Wang, Mengke; Liu, Pu; Wang, Xinsheng; Deng, Ruixue

2016-12-23

Paeonia ostii is a traditional medicinal plant popularly used in China. This study intended to evaluate the antioxidant properties and the chemical components of the flavonoid-rich extracts from the flowers of P. ostii . The results showed that the flavonoid-rich extracts from the flowers of P. ostii had strong scavenging capacities on 2,2'-Azinobis-(3-ethylbenzthiazoline-6-sulphonate) (ABTS), hydroxyls, superoxide anions, and 1,1-diphenyl-2-picrylhydrazyl (DPPH) radicals in a dose-dependent manner. Five flavonoids, dihydrokaempferol ( 1 ), apigenin-7- O -β-d-glucoside ( 2 ), apigenin-7- O -β-d-neohesperidoside ( 3 ), kaempferol-7- O -β-d-glucopyranoside ( 4 ), and kaempferol-3- O -β-d-glucopyranosyl-7- O -β-d-glucopyranoside ( 5 ), were isolated from the flavonoid-rich extracts of the flowers of P. ostii . High-performance liquid chromatography (HPLC) analysis revealed that compounds 3 and 4 were abundant in the P. ostii flower and in flavonoid-rich extracts. The main components of the flower of P. ostii are flavonoids. The high antioxidant activity of the flavonoid-rich extracts may be attributed to the high content of flavonoids. The five isolated flavonoids were the primary antioxidant ingredients, and may play important roles in the strong antioxidant activities of this flower. Based on the obtained results, the flower of P. ostii could be a potential source of natural antioxidants in food and pharmaceutical applications.

Analysis of essential oils from Voacanga africana seeds at different hydrodistillation extraction stages: chemical composition, antioxidant activity and antimicrobial activity.

Science.gov (United States)

Liu, Xiong; Yang, Dongliang; Liu, Jiajia; Ren, Na

2015-01-01

In this study, essential oils from Voacanga africana seeds at different extraction stages were investigated. In the chemical composition analysis, 27 compounds representing 86.69-95.03% of the total essential oils were identified and quantified. The main constituents in essential oils were terpenoids, alcohols and fatty acids accounting for 15.03-24.36%, 21.57-34.43% and 33.06-57.37%, respectively. Moreover, the analysis also revealed that essential oils from different extraction stages possessed different chemical compositions. In the antioxidant evaluation, all analysed oils showed similar antioxidant behaviours, and the concentrations of essential oils providing 50% inhibition of DPPH-scavenging activity (IC50) were about 25 mg/mL. In the antimicrobial experiments, essential oils from different extraction stages exhibited different antimicrobial activities. The antimicrobial activity of oils was affected by extraction stages. By controlling extraction stages, it is promising to obtain essential oils with desired antimicrobial activities.

Recovery of microbial diversity and activity during bioremediation following chemical oxidation of diesel contaminated soils

NARCIS (Netherlands)

Sutton, N.B.; Langenhoff, A.A.M.; Hidalgo Lasso, D.; Zaan, van der B.M.; Gaans, van P.; Maphosa, F.; Smidt, H.; Grotenhuis, J.T.C.; Rijnaarts, H.H.M.

2014-01-01

To improve the coupling of in situ chemical oxidation and in situ bioremediation, a systematic analysis was performed of the effect of chemical oxidation with Fenton's reagent, modified Fenton's reagent, permanganate, or persulfate, on microbial diversity and activity during 8 weeks of incubation in

Partial chemical composition and antimicrobial activity of Daucus crinitus Desf. extracts

Energy Technology Data Exchange (ETDEWEB)

Dib, M. A.; Bendahou, M.; Bendiabdellah, A.; Djabou, N.; Allali, H.; Tabti, B.; Paolini, J.; Costa, J.

2010-07-01

The chemical composition of fatty acids and the unsaponifiable fraction of the roots, leaves and stems from Daucus crinitus Desf. were, determined using gas chromatography (GC) and gas chromatography-Mass Spectrometry (GC-MS). The fatty acid fractions of different organs (leaves, stems and roots) were characterized by lauric acid (17.9, 17.5 and 18.1 % respectively) and other long chain fatty acids (until C22). Qualitative and quantitative differences were reported between the unsaponifiable fractions of different organs from D. crinitus. The unsaponifiable fractions of the leaves, roots and stem showed high amounts of aliphatic components (83.4%, 87.2% and 91.4%, respectively). The monoterpen, diterpen and sesquiterpen components were only present in small percentages. The antimicrobial properties of the D. critinus extracts were tested on four different microorganisms. These extracts were found to be active against Bacillus cereus, Staphylococcus aureus, Escherichia coli and Candida albicans. (Author) 35 refs.

Synthesis and characterization of chemically activated carbon derived from arecanut shell

Directory of Open Access Journals (Sweden)

A. S. Jadhav

2016-03-01

Full Text Available Activated carbon (AC was prepared from areca-nut shell (AS by chemical activation using phosphoric acid (PA. Activated carbon was prepared in three batches using phosphoric acid of 50 gm, 100 gm, and 300 gm with varying impregnation ratios by weight of 1:1, 2:1 and 3:1, 4:1 each. Characterization of the prepared activated carbon was done by methylene blue number (MBN, iodine number (IN, acid adsorption test (AAT, and elemental composition. Activation was carried out at 400 C. It was found that activated carbon derived from areca-nut shell shown improved results for methylene blue number (MBN, iodine number (IN, and acid adsorption test(AAT. Thermal analysis was carried out to know the weight loss and SEM was performed to know the morphology of AC.

Evaluation of biological activities and chemical constituent of storage medicinal plant materials used as a traditional medicine in Nepal

Directory of Open Access Journals (Sweden)

Bishnu Prasad Pandey

2017-12-01

Full Text Available Aim: The main aims of the study were to evaluate the phytochemicals, antioxidant, antibacterial and chemical constituents of storage medicinal plant materials used as a traditional medicine in Nepal. Methods: Phytochemical screening, total phenolic content, total flavonoid content, antibacterial activities, anti-oxidant assay of the crude extract (water, methanol, n-hexane and acetone were carried out to identify the biological activities and phytonutrients present in the different extract. The chemical constituents present in the crude extract were analyzed using the high performance liquid chromatography (HPLC equipped with UV detector. Results: Evaluated medicinal plant materials were found to have diverse phytonutrients. Results revealed that methanol extract of Pakhanved and Jethimadhu have highest total flavonoids and polyphenol content. Among the selected medicinal plant materials Jethimadhu extract revealed the highest antioxidant activities. Furthermore, evaluated medicinal plants extract were found to exert a range of in vitro growth inhibition activity against both gram positive and gram negative species. The highest antibacterial activities were observed in the case of methanol extract, whereas, least activity was observed with the hexane extract. HPLC analysis of the acetone extract of Jethimadhu reveals the presence of diosmetin. Conclusions: Our result revealed that among the five evaluated medicinal plant materials, Jethimadhu extract revealed biological activities and exhibits a higher amount of polyphenol and flavonoid content. [J Complement Med Res 2017; 6(4.000: 369-377

Chemical composition and antibacterial activity of essential oils against human pathogenic bacteria

NARCIS (Netherlands)

Sokovic, M.; Marin, P.D.; Brkic, D.; Griensven, van L.J.L.D.

2008-01-01

The chemical composition and antibacterial activity of essential oils from 10 aromatic plants Matricaria chamommilla, Mentha piperita, M. spicata, Lavandula angustifolia, Ocimum basilicum, Thymus vulgaris, Origanum vulgare, Salvia officinalis, Citrus limon and C. aurantium have been determined.

Chemical composition, antioxidant and antibacterial activities of essential oils from leaves and flowers of Eugenia klotzschiana Berg (Myrtaceae).

Science.gov (United States)

Carneiro, Nárgella S; Alves, Cassia C F; Alves, José M; Egea, Mariana B; Martins, Carlos H G; Silva, Thayná S; Bretanha, Lizandra C; Balleste, Maira P; Micke, Gustavo A; Silveira, Eduardo V; Miranda, Mayker L D

2017-01-01

Many essential oils (EOs) of different plant species possess interesting antimicrobial effects on buccal bacteria and antioxidant properties. Eugenia klotzschiana Berg (pêra-do-cerrado, in Portuguese) is a species of Myrtaceae with restricted distribution in the Cerrado. The essential oils were extracted through the hydrodistillation technique using a modified Clevenger apparatus (2 hours) and chemically characterized by GC-MS. The major compounds were α-copaene (10.6 %) found in oil from leaves in natura, β-bisabolene (17.4 %) in the essential oil from dry leaves and α-(E)-bergamotene (29.9 %) in oil from flowers. The antioxidant activity of essential oils showed similarities in both methods under analysis (DPPH and ABTS˙+) and the results suggested moderate to high antioxidant activity. The antibacterial activity was evaluated by determining minimum inhibitory concentrations (MICs), using the microdilution method. MIC values below 400 µg/mL were obtained against Streptococcus salivarius (200 µg/mL), S. mutans (50 µg/mL), S. mitis (200 µg/mL) and Prevotella nigrescens (50 µg/mL). This is the first report of the chemical composition and antibacterial and antioxidant activities of the essential oils of E. klotzschiana. These results suggest that E. klotzschiana, a Brazilian plant, provide initial evidence of a new and alternative source of substances with medicinal interest.

Chemical composition and antibacterial activity of essential oils against human pathogenic bacteria

OpenAIRE

Sokovic, M.; Marin, P.D.; Brkic, D.; Griensven, van, L.J.L.D.

2008-01-01

The chemical composition and antibacterial activity of essential oils from 10 aromatic plants Matricaria chamommilla, Mentha piperita, M. spicata, Lavandula angustifolia, Ocimum basilicum, Thymus vulgaris, Origanum vulgare, Salvia officinalis, Citrus limon and C. aurantium have been determined. Antibacterial activity of these oils and their components; i.e. linalyl acetate, linalool, limonene, pinene, ß-pinene, 1,8-cineole, camphor, carvacrol, thymol and menthol were assayed against a variety...

A robust high-throughput fungal biosensor assay for the detection of estrogen activity.

Science.gov (United States)

Zutz, Christoph; Wagener, Karen; Yankova, Desislava; Eder, Stefanie; Möstl, Erich; Drillich, Marc; Rychli, Kathrin; Wagner, Martin; Strauss, Joseph

2017-10-01

Estrogenic active compounds are present in a variety of sources and may alter biological functions in vertebrates. Therefore, it is crucial to develop innovative analytical systems that allow us to screen a broad spectrum of matrices and deliver fast and reliable results. We present the adaptation and validation of a fungal biosensor for the detection of estrogen activity in cow derived samples and tested the clinical applicability for pregnancy diagnosis in 140 mares and 120 cows. As biosensor we used a previously engineered genetically modified strain of the filamentous fungus Aspergillus nidulans, which contains the human estrogen receptor alpha and a reporter construct, in which β-galactosidase gene expression is controlled by an estrogen-responsive-element. The estrogen response of the fungal biosensor was validated with blood, urine, feces, milk and saliva. All matrices were screened for estrogenic activity prior to and after chemical extraction and the results were compared to an enzyme immunoassay (EIA). The biosensor showed consistent results in milk, urine and feces, which were comparable to those of the EIA. In contrast to the EIA, no sample pre-treatment by chemical extraction was needed. For 17β-estradiol, the biosensor showed a limit of detection of 1ng/L. The validation of the biosensor for pregnancy diagnosis revealed a specificity of 100% and a sensitivity of more than 97%. In conclusion, we developed and validated a highly robust fungal biosensor for detection of estrogen activity, which is highly sensitive and economic as it allows analyzing in high-throughput formats without the necessity for organic solvents. Copyright © 2017 Elsevier Inc. All rights reserved.

Flowsheet development studies for the decontamination of high-activity-level water at Three Mile Island Unit 2

International Nuclear Information System (INIS)

Collins, E.D.; Bigelow, J.E.; Campbell, D.O.; King, L.J.; Knauer, J.B.

1980-01-01

Several chemical processing flowsheets were considered for the decontamination of high-activity-level water at the Three Mile Island (TMI) Unit 2. A zeolite ion exchange process was evaluated and recommended for absorption of the bulk of the highly radioactive cesium and strontium. Standard organic ion-exchange resins were selected to remove the remaining traces of radioactive nuclides (except tritium which cannot be removed by any practical process). Process conditions were evaluated using both synthetic, tracer-level solutions and samples of actual, high-activity level water from TMI Unit 2

Activation of aluminum as an effective reducing agent by pitting corrosion for wet-chemical synthesis.

Science.gov (United States)

Li, Wei; Cochell, Thomas; Manthiram, Arumugam

2013-01-01

Metallic aluminum (Al) is of interest as a reducing agent because of its low standard reduction potential. However, its surface is invariably covered with a dense aluminum oxide film, which prevents its effective use as a reducing agent in wet-chemical synthesis. Pitting corrosion, known as an undesired reaction destroying Al and is enhanced by anions such as F⁻, Cl⁻, and Br⁻ in aqueous solutions, is applied here for the first time to activate Al as a reducing agent for wet-chemical synthesis of a diverse array of metals and alloys. Specifically, we demonstrate the synthesis of highly dispersed palladium nanoparticles on carbon black with stabilizers and the intermetallic Cu₂Sb/C, which are promising candidates, respectively, for fuel cell catalysts and lithium-ion battery anodes. Atomic hydrogen, an intermediate during the pitting corrosion of Al in protonic solvents (e.g., water and ethylene glycol), is validated as the actual reducing agent.

Chemically vapor-deposited tungsten: its high temperature strength and ductility

International Nuclear Information System (INIS)

Bryant, W.A.

1977-01-01

The high temperature tensile ductility (as measured by total elongation normal to the growth direction) of chemically vapor-deposited tungsten was found to be significantly greater than previously reported. A correlation was found between ductility and void content. However, voids were found to have essentially no effect on the high temperature strength of this material, which is considerably weaker than powder metallurgy tungsten. (Auth.)

Calculation of neutron activation discriminating the chemical weapons underground using Monte Carlo methods

International Nuclear Information System (INIS)

Shen Chunxia; Qian Jianfu; Zhang Wenzhong

2003-01-01

This paper mainly calculate neutron activation discriminating the chemical weapons underground, and analyses the factors that soil influence discrimination, finally we conclude soil can not influence discrimination. (authors)

Development of Bicarbonate-Activated Peroxide as a Chemical and Biological Warfare Agent Decontaminant

National Research Council Canada - National Science Library

Richardson, David E

2006-01-01

...) and other chemistry for the decontamination of chemical and biological warfare agents. The mechanism of formation of the active oxidant, peroxymonocarbonate, has been investigated in detail. New surfoxidants...

Risk-based high-throughput chemical screening and prioritization using exposure models and in vitro bioactivity assays

DEFF Research Database (Denmark)

Shin, Hyeong-Moo; Ernstoff, Alexi; Arnot, Jon

2015-01-01

We present a risk-based high-throughput screening (HTS) method to identify chemicals for potential health concerns or for which additional information is needed. The method is applied to 180 organic chemicals as a case study. We first obtain information on how the chemical is used and identify....../oral contact, or dermal exposure. The method provides high-throughput estimates of exposure and important input for decision makers to identify chemicals of concern for further evaluation with additional information or more refined models....

Genetic and chemical diversity of high mucilaginous plants of Sida complex by ISSR markers and chemical fingerprinting.

Science.gov (United States)

Thul, Sanjog T; Srivastava, Ankit K; Singh, Subhash C; Shanker, Karuna

2011-09-01

A method was developed based on multiple approaches wherein DNA and chemical analysis was carried out toward differentiation of important species of Sida complex that is being used for commercial preparation. Isolated DNA samples were successfully performed through PCR amplification using ISSR markers and degree of genetic diversity among the different species of Sida is compared with that of chemical diversity. For genetic fingerprint investigation, selected 10 ISSR primers generating reproducible banding patterns were used. Among the total of 63 amplicons, 62 were recorded as polymorphic, genetic similarity index deduced from ISSR profiles ranged from 12 to 51%. Based on similarity index, S. acuta and S. rhombifolia found to be most similar (51%). High number of species-specific bands played pivotal role to delineate species at genetic level. Investigation based on HPTLC fingerprints analysis revealed 23 bands representing to characteristic chemicals and similarity index ranged from 73 to 91%. Prominent distinguishable bands were observed only in S. acuta, while S. cordifolia and S. rhombifolia shared most bands making them difficult to identify on chemical fingerprint basis. This report summarizes the genotypic and chemotypic diversity and the use of profiles for authentication of species of Sida complex.

Chemical Composition and Biological Activity of Essential Oils of Sempervivum brevipilum Muirhead

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Nuran Kahriman

2015-06-01

Full Text Available The essential oils of the fresh flower, leaf, and stem of Sempervivum brevipilum Muirhead. (Crassulaceae were isolated by hydrodistillation in a modified Clevenger-type apparatus, and characterized by GC-FID and GC-MS. A total of fifty, fourty-three, and thirty-one compounds were identified, constituting over 92.6%, 92.6%, and 94.3% of oil composition of the flower, leaf, and stem of S. brevipilum, respectively. The chemical profile reveals the dominance of hydrocarbons (flower: 65.3%, leaf: 47.6%, stem: 71.1%. The major compounds of essential oils from S. brevipilum were tetracosane (20.2% in flower, 1,2-diphenyl ethandione (16.1% in leaf and docosane (30.5% in stem. Monoterpene hydrocarbons were the major class of terpenoids in flower (2.2% and in stem (1.8%, oxygenated diterpene was the major class of terpenoids in leaf (4.5%. Oxygenated monoterpenes were in minor amounts in all parts (flower: 0.3%, leaf: 0.7%, stem: 0.1% of the plant. In addition, antimicrobial activities of the essential oils of S. brevipilum were investigated. The oils didn’t show any antibacterial and antifungal activity against tested bacteria, but showed high antituberculostatic activity against Mycobacterium smegmatis.

Effect of Chemical and Biological Phosphorus on Antioxidant Enzymes Activity and Some Biochemical Traits of Spring Safflower (Carthamus tinctorius L. under Water Deficit Stress Conditions

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S. Heshmati

2016-05-01

Full Text Available To study the effects of biological and chemical phosphorus on antioxidant enzyme activity in safflower under water deficit conditions, an experiment was conducted in 2012 at the Research Field of the Faculty of Agriculture, Shahed University, Tehran, Iran. The experimental design was a split-factorial with three replicates. The main factor was the three levels of irrigation treatment: full irrigation (irrigation up to 50% soil moisture depletion relative to field capacity, water stress in the vegetative and flowering stages (irrigation up to 75% soil moisture depletion relative to field capacity. The sub-factor was the six treatments resulting from three levels of phosphate chemical fertilizer (0, 50, and 100 kg ha-1 Triple Super Phosphate, each at two levels of Barvar-2 bio-fertilizer (with and without inoculation with Barvar-2. According to the results of our experiment, antioxidant enzyme activity is affected by high levels of chemical phosphorus when there is no inoculation with biofertilizer (Barvar 2 under water stress in the vegetative and flowering stages. The results showed that inoculation with Barvar 2 in the absence of added chemical phosphorus increases the catalase activity and soluble protein concentration under drought stress in the vegetative and flowering stages. Also, using chemical phosphorus followed by Barvar 2 led to increase in the polyphenol oxidase activity and superoxide dismutase activity under these conditions. Inoculation with Barvar 2 in the absence of added chemical phosphorus significantly decreased the amount of malondialdehyde under stress condition at the flowering stage. It was demonstrated that inoculation with a biological fertilizer (Barvar 2 followed by application of a chemical phosphorus fertilizer under drought conditions could decrease the detrimental effects of drought stress on spring safflower.

Rate and State Friction Relation for Nanoscale Contacts: Thermally Activated Prandtl-Tomlinson Model with Chemical Aging

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Tian, Kaiwen; Goldsby, David L.; Carpick, Robert W.

2018-05-01

Rate and state friction (RSF) laws are widely used empirical relationships that describe macroscale to microscale frictional behavior. They entail a linear combination of the direct effect (the increase of friction with sliding velocity due to the reduced influence of thermal excitations) and the evolution effect (the change in friction with changes in contact "state," such as the real contact area or the degree of interfacial chemical bonds). Recent atomic force microscope (AFM) experiments and simulations found that nanoscale single-asperity amorphous silica-silica contacts exhibit logarithmic aging (increasing friction with time) over several decades of contact time, due to the formation of interfacial chemical bonds. Here we establish a physically based RSF relation for such contacts by combining the thermally activated Prandtl-Tomlinson (PTT) model with an evolution effect based on the physics of chemical aging. This thermally activated Prandtl-Tomlinson model with chemical aging (PTTCA), like the PTT model, uses the loading point velocity for describing the direct effect, not the tip velocity (as in conventional RSF laws). Also, in the PTTCA model, the combination of the evolution and direct effects may be nonlinear. We present AFM data consistent with the PTTCA model whereby in aging tests, for a given hold time, static friction increases with the logarithm of the loading point velocity. Kinetic friction also increases with the logarithm of the loading point velocity at sufficiently high velocities, but at a different increasing rate. The discrepancy between the rates of increase of static and kinetic friction with velocity arises from the fact that appreciable aging during static contact changes the energy landscape. Our approach extends the PTT model, originally used for crystalline substrates, to amorphous materials. It also establishes how conventional RSF laws can be modified for nanoscale single-asperity contacts to provide a physically based friction

High Fidelity Raman Chemical Imaging of Materials

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Bobba, Venkata Nagamalli Koteswara Rao

The development of high fidelity Raman imaging systems is important for a number of application areas including material science, bio-imaging, bioscience and healthcare, pharmaceutical analysis, and semiconductor characterization. The use of Raman imaging as a characterization tool for detecting the amorphous and crystalline regions in the biopolymer poly-L-lactic acid (PLLA) is the precis of my thesis. In the first chapter, a brief insight about the basics of Raman spectroscopy, Raman chemical imaging, Raman mapping, and Raman imaging techniques has been provided. The second chapter contains details about the successful development of tailored sample of PLLA. Biodegradable polymers are used in areas of tissue engineering, agriculture, packaging, and in medical field for drug delivery, implant devices, and surgical sutures. Detailed information about the sample preparation and characterization of these cold-drawn PLLA polymer substrates has been provided. Wide-field Raman hyperspectral imaging using an acousto-optic tunable filter (AOTF) was demonstrated in the early 1990s. The AOTF contributed challenges such as image walk, distortion, and image blur. A wide-field AOTF Raman imaging system has been developed as part of my research and methods to overcome some of the challenges in performing AOTF wide-field Raman imaging are discussed in the third chapter. This imaging system has been used for studying the crystalline and amorphous regions on the cold-drawn sample of PLLA. Of all the different modalities that are available for performing Raman imaging, Raman point-mapping is the most extensively used method. The ease of obtaining the Raman hyperspectral cube dataset with a high spectral and spatial resolution is the main motive of performing this technique. As a part of my research, I have constructed a Raman point-mapping system and used it for obtaining Raman hyperspectral image data of various minerals, pharmaceuticals, and polymers. Chapter four offers

A thermodynamic framework for thermo-chemo-elastic interactions in chemically active materials

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Zhang, XiaoLong; Zhong, Zheng

2017-08-01

In this paper, a general thermodynamic framework is developed to describe the thermo-chemo-mechanical interactions in elastic solids undergoing mechanical deformation, imbibition of diffusive chemical species, chemical reactions and heat exchanges. Fully coupled constitutive relations and evolving laws for irreversible fluxes are provided based on entropy imbalance and stoichiometry that governs reactions. The framework manifests itself with a special feature that the change of Helmholtz free energy is attributed to separate contributions of the diffusion-swelling process and chemical reaction-dilation process. Both the extent of reaction and the concentrations of diffusive species are taken as independent state variables, which describe the reaction-activated responses with underlying variation of microstructures and properties of a material in an explicit way. A specialized isothermal formulation for isotropic materials is proposed that can properly account for volumetric constraints from material incompressibility under chemo-mechanical loadings, in which inhomogeneous deformation is associated with reaction and diffusion under various kinetic time scales. This framework can be easily applied to model the transient volumetric swelling of a solid caused by imbibition of external chemical species and simultaneous chemical dilation arising from reactions between the diffusing species and the solid.

The high pH chemical and radiation compatibility of various liner materials

International Nuclear Information System (INIS)

Whyatt, G.A.; Farnsworth, R.K.

1990-01-01

This paper reports on a flexible membrane liner that has been proposed to line a concrete vault in which liquid low-level radioactive waste will be solidified. High-density polyethylene (HDPE) and polypropylene liners were tested at the Pacific Northwest Laboratory in an EPA method 9090 format to determine their chemical compatibility with the waste. Radiation effects were also investigated. The liners were immersed in a highly caustic (pH>14), primarily inorganic solution at 90 degrees C. The liners were subjected to radiation doses up to 38.9 Mrad, which was the expected dose the liner would receive over a 30-year life inside the vault. Recent changes have placed the liner outside the vault. The acceptance criteria for judging the compatibility of the liner with radiation would be different that those used for judging chemical compatibility. The radiation damage over the life of the liner can be simulated in a short-term test. Both HDPE and polypropylene liners were judged to be acceptable from a chemical and radiation standpoint when placed outside of the vault, while several other liners were not compatible. Radiation did not have a significant effect on chemical degradation rates

The high pH chemical and radiation compatibility of various liner materials

International Nuclear Information System (INIS)

Whyatt, G.; Farnsworth, R.

1990-01-01

A flexible membrane liner has been proposed to line a concrete vault in which liquid low-level radioactive waste will be solidified. High-density polyethylene (HDPE) and polypropylene liners were tested at the Pacific Northwest Laboratory in an EPA method 9090 format to determine their chemical compatibility with the waste. Radiation effects were also investigated. The liners were immersed in a highly caustic (pH>14), primarily inorganic solution at 90 degrees C. The liners were subjected to radiation doses up to 38.9 Mrad, which was the expected dose the liner would receive over a 30-year life inside the vault. Recent changes have placed the liner outside the vault. The acceptance criteria for judging the compatibility of the liner with radiation should be different than those used for judging chemical compatibility. The radiation damage over the life of the liner can be simulated in a short-term test. Both HDPE and polypropylene liners were judged to be acceptable from a chemical and radiation standpoint when placed outside of the vault, while several other liners were not compatible. Radiation did not have a significant effect on chemical degradation rates

Chemical modification, antioxidant and α-amylase inhibitory activities of corn silk polysaccharides.

Science.gov (United States)

Chen, Shuhan; Chen, Haixia; Tian, Jingge; Wang, Yanwei; Xing, Lisha; Wang, Jia

2013-10-15

Water-soluble corn silk polysaccharides (CSPS) were chemically modified to obtain their sulfated, acetylated and carboxymethylated derivatives. Chemical characterization and bioactivities of CSPS and its derivatives were comparatively investigated by chemical methods, gas chromatography, gel filtration chromatography, scanning electron microscope, infrared spectroscopy and circular dichroism spectroscopy, scavenging DPPH free radical assay, scavenging hydroxyl radical assay, ferric reducing power assay, lipid peroxidation inhibition assay and α-amylase activity inhibitory assay, respectively. Among the three derivatives, carboxylmethylated polysaccharide (C-CSPS) demonstrated higher solubility, narrower molecular weight distribution, lower intrinsic viscosity, a hyperbranched conformation, significantly higher antioxidant and α-amylase inhibitory abilities compared with the native polysaccharide and other derivatives. C-CSPS might be used as a novel nutraceutical agent for human consumption. Copyright © 2013 Elsevier Ltd. All rights reserved.

Chemical composition measurements of the low activity waste (LAW) EPA-Series glasses

Energy Technology Data Exchange (ETDEWEB)

Fox, K. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Edwards, T. B. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

2016-03-01

In this report, the Savannah River National Laboratory provides chemical analysis results for a series of simulated low activity waste glasses provided by Pacific Northwest National Laboratory as part of an ongoing development task. The measured chemical composition data are reported and compared with the targeted values for each component for each glass. A detailed review showed no indications of errors in the preparation or measurement of the study glasses. All of the measured sums of oxides for the study glasses fell within the interval of 100.2 to 100.8 wt %, indicating recovery of all components. Comparisons of the targeted and measured chemical compositions showed that the measured values for the glasses met the targeted concentrations within 10% for those components present at more than 5 wt %.

A High Power Solar Electric Propulsion - Chemical Mission for Human Exploration of Mars

Science.gov (United States)

Burke, Laura M.; Martini, Michael C.; Oleson, Steven R.

2014-01-01

Recently Solar Electric Propulsion (SEP) as a main propulsion system has been investigated as an option to support manned space missions to near-Earth destinations for the NASA Gateway spacecraft. High efficiency SEP systems are able to reduce the amount of propellant long duration chemical missions require, ultimately reducing the required mass delivered to Low Earth Orbit (LEO) by a launch vehicle. However, for long duration interplanetary Mars missions, using SEP as the sole propulsion source alone may not be feasible due to the long trip times to reach and insert into the destination orbit. By combining an SEP propulsion system with a chemical propulsion system the mission is able to utilize the high-efficiency SEP for sustained vehicle acceleration and deceleration in heliocentric space and the chemical system for orbit insertion maneuvers and trans-earth injection, eliminating the need for long duration spirals. By capturing chemically instead of with low-thrust SEP, Mars stay time increases by nearly 200 days. Additionally, the size the of chemical propulsion system can be significantly reduced from that of a standard Mars mission because the SEP system greatly decreases the Mars arrival and departure hyperbolic excess velocities (V(sub infinity)).

Preparation and surface characterization of activated carbons from Euphorbia rigida by chemical activation with ZnCl2, K2CO3, NaOH and H3PO4

International Nuclear Information System (INIS)

Kılıç, Murat; Apaydın-Varol, Esin; Pütün, Ayşe Eren

2012-01-01

Highlights: ► An arid land plant evaluated as low cost activated carbon precursor. ► Four types of different chemical activation agents are used. ► Higher surface area (2600 m 2 /g) obtained by chemical activation. ► Obtained activated carbon can be effectively used as an adsorbent for the removal of toxic pollutants from aqueous solutions. - Abstract: Preparation of activated carbons from Euphorbia rigida by chemical activation with different impregnation agents and ratios was studied. ZnCl 2 , K 2 CO 3 , NaOH and H 3 PO 4 were used as chemical activation agents and four impregnation ratios (25–50–75–100%) by mass were applied on biomass. Activation is applied to impregnated biomass samples at 700 °C under sweeping gas in a fixed bed reactor. For determination of chemical and physical properties of the obtained activated carbons; elemental analysis was applied to determine the elemental composition (C, H, N, O) and FT-IR spectra was used to analyze the functional groups. BET equation was used to calculate the surface areas of activated carbons. For understanding the changes in the surface structure, activated carbons were conducted to Scanning Electron Microscopy (SEM). Maximum BET surface area (2613 m 2 /g) was reached with 75% K 2 CO 3 impregnated biomass sample. Experimental results showed that impregnation types and ratios have a significant effect on the pore structure of activated carbon and E. rigida seems to be an alternative precursor for commercial activated carbon production.

High-risk facilities. Emergency management in nuclear, chemical and hazardous waste facilities

International Nuclear Information System (INIS)

Kloepfer, Michael

2012-01-01

The book on emergency management in high-risk facilities covers the following topics: Change in the nuclear policy, risk management of high-risk facilities as a constitutional problem - emergency management in nuclear facilities, operational mechanisms of risk control in nuclear facilities, regulatory surveillance responsibilities for nuclear facilities, operational mechanism of the risk control in chemical plants, regulatory surveillance responsibilities for chemical facilities, operational mechanisms of the risk control in hazardous waste facilities, regulatory surveillance responsibilities for hazardous waste facilities, civil law consequences in case of accidents in high-risk facilities, criminal prosecution in case of accidents in high-risk facilities, safety margins as site risk for emission protection facilities, national emergency management - strategic emergency management structures, warning and self-protection of the public in case of CBRN hazards including aspects of the psych-social emergency management.

Air Activated Self-Decontaminating Polydicyclopentadiene PolyHIPE Foams for Rapid Decontamination of Chemical Warfare Agents.

Science.gov (United States)

McGann, Christopher L; Daniels, Grant C; Giles, Spencer L; Balow, Robert B; Miranda-Zayas, Jorge L; Lundin, Jeffrey G; Wynne, James H

2018-06-01

The threat of chemical warfare agents (CWA) compels research into novel self-decontaminating materials (SDM) for the continued safety of first-responders, civilians, and active service personnel. The capacity to actively detoxify, as opposed to merely sequester, offending agents under typical environmental conditions defines the added value of SDMs in comparison to traditional adsorptive materials. Porous polymers, synthesized via the high internal phase emulsion (HIPE) templating, provide a facile fabrication method for materials with permeable open cellular structures that may serve in air filtration applications. PolyHIPEs comprising polydicyclopentadiene (polyDCPD) networks form stable hydroperoxide species following activation in air under ambient conditions. The hydroperoxide-containing polyDCPD materials react quickly with CWA simulants, Demeton-S and 2-chloroethyl ethyl sulfide, forming oxidation products as confirmed via gas chromatography mass spectrometry. The simplicity of the detoxification chemistry paired with the porous foam form factor presents an exciting opportunity for the development of self-decontaminating filter media. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Behaviour of a cement stone with chemical additions under short high temperature effects

International Nuclear Information System (INIS)

Falikman, V.R.; Veselova, V.I.; Ershov, V.Yu.; Muzalevskij, L.P.

1987-01-01

The purpose of the paper is to investigate the influence of different chemical additions used in NPP construction on thermal stability of a cement stone under short- and high-temperature effects. S-3 and dihydroxyphenyl utilized as peptizing agents for increase of placeability of concrete mixtures as well as sodium nitrite utilized as an antifreezing addition at conccreting at low temperatures are used as additions. The investigations were conducted in the 0-900 deg C temperature range divided into 4 ranges. Shrinkage and mass losses of specimens were determined. The obtained data show that specimens with additions are subjected to smaller shrinkage and mass losses as compared with specimens without additions. The highest positive effect is attained in portland cements with active mineral additions

Chemical composition and antifungal activity of the essential oils of Lavandula pedunculata (Miller) Cav.

Science.gov (United States)

Zuzarte, Monica; Gonçalves, Maria J; Cavaleiro, Carlos; Dinis, Augusto M; Canhoto, Jorge M; Salgueiro, Lígia R

2009-08-01

The chemical composition and antifungal activity of the essential oils of Lavandula pedunculata (Miller) Cav., harvested in North and Central Portugal, were investigated. The essential oils were isolated by hydrodistillation and analyzed by GC and GC/MS. The minimal-inhibitory concentration (MIC) and the minimal-lethal concentration (MLC) of the essential oils and of their major constituents were used to evaluate the antifungal activity against different strains of fungi involved in candidosis, dematophytosis, and aspergillosis. The oils were characterized by a high percentage of oxygenated monoterpenes, the main compounds being 1,8-cineole (2.4-55.5%), fenchone (1.3-59.7%), and camphor (3.6-48.0%). Statistical analysis differentiated the essential oils into two main types, one characterized by the predominance of fenchone and the other one by the predominance of 1,8-cineole. Within the 1,8-cineole chemotype, two subgroups were well-defined taking into account the percentages of camphor. A significant antifungal activity of the oils was found against dermatophyte strains. The essential oil with the highest content of camphor was the most active with MIC and MLC values ranging from 0.32-0.64 microl/ml.

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Home; Journals; Journal of Chemical Sciences. PRADEEP KUMAR BUDDE. Articles written in Journal of Chemical Sciences. Volume 130 Issue 3 March 2018 pp 27. Non-oxidative methane dehydroaromatization reaction over highly active α-MoC1−x ZSM-5 derived from pretreatment · PRADEEP KUMAR BUDDE ARVIND ...

Quinones from plants of northeastern Brazil: structural diversity, chemical transformations, NMR data and biological activities.

Science.gov (United States)

Lemos, Telma L G; Monte, Francisco J Q; Santos, Allana Kellen L; Fonseca, Aluisio M; Santos, Hélcio S; Oliveira, Mailcar F; Costa, Sonia M O; Pessoa, Otilia D L; Braz-Filho, Raimundo

2007-05-20

The present review focus in quinones found in species of Brazilian northeastern Capraria biflora, Lippia sidoides, Lippia microphylla and Tabebuia serratifolia. The review cover ethnopharmacological aspects including photography of species, chemical structure feature, NMR datea and biological properties. Chemical transformations of lapachol to form enamine derivatives and biological activities are discussed.

Chemical Records in Snowpits from High Altitude Glaciers in the Tibetan Plateau and Its Surroundings

Science.gov (United States)

Zhang, Yulan; Kang, Shichang; Zhang, Qianggong; Gao, Tanguang; Guo, Junming; Grigholm, Bjorn; Huang, Jie; Sillanpää, Mika; Li, Xiaofei; Du, Wentao; Li, Yang; Ge, Xinlei

2016-01-01

Glaciochemistry can provide important information about climatic change and environmental conditions, as well as for testing regional and global atmospheric trace transport models. In this study, δ18O and selected chemical constituents records in snowpits collected from eight glaciers in the Tibetan Plateau and adjacent areas have been investigated. Drawing on the integrated data, our study summarized the seasonal and spatial characteristics of snow chemistry, and their potential sources. Distinct seasonal patterns of δ18O values in snowpits indicated more negative in the south TP controlled by Indian monsoon, and less negative in the north TP and Tien Shan. Overall increasing concentrations of microparticles and crustal ions from south to north indicated a strength of dust deposition on glaciers from semi-arid and arid regions. Principal component analysis and air mass trajectories suggested that chemical constituents were mainly attributable to crustal sources as demonstrated by the high concentrations of ions occurring during the non-monsoon seasons. Nevertheless, other sources, such as anthropogenic pollution, played an important role on chemical variations of glaciers near the human activity centers. This study concluded that air mass transport from different sources played important roles on the spatial distributions and seasonality of glaciochemistry. PMID:27186638

Chemical Records in Snowpits from High Altitude Glaciers in the Tibetan Plateau and Its Surroundings.

Directory of Open Access Journals (Sweden)

Yulan Zhang

Full Text Available Glaciochemistry can provide important information about climatic change and environmental conditions, as well as for testing regional and global atmospheric trace transport models. In this study, δ18O and selected chemical constituents records in snowpits collected from eight glaciers in the Tibetan Plateau and adjacent areas have been investigated. Drawing on the integrated data, our study summarized the seasonal and spatial characteristics of snow chemistry, and their potential sources. Distinct seasonal patterns of δ18O values in snowpits indicated more negative in the south TP controlled by Indian monsoon, and less negative in the north TP and Tien Shan. Overall increasing concentrations of microparticles and crustal ions from south to north indicated a strength of dust deposition on glaciers from semi-arid and arid regions. Principal component analysis and air mass trajectories suggested that chemical constituents were mainly attributable to crustal sources as demonstrated by the high concentrations of ions occurring during the non-monsoon seasons. Nevertheless, other sources, such as anthropogenic pollution, played an important role on chemical variations of glaciers near the human activity centers. This study concluded that air mass transport from different sources played important roles on the spatial distributions and seasonality of glaciochemistry.

Chemical Records in Snowpits from High Altitude Glaciers in the Tibetan Plateau and Its Surroundings.

Science.gov (United States)

Zhang, Yulan; Kang, Shichang; Zhang, Qianggong; Gao, Tanguang; Guo, Junming; Grigholm, Bjorn; Huang, Jie; Sillanpää, Mika; Li, Xiaofei; Du, Wentao; Li, Yang; Ge, Xinlei

2016-01-01

Glaciochemistry can provide important information about climatic change and environmental conditions, as well as for testing regional and global atmospheric trace transport models. In this study, δ18O and selected chemical constituents records in snowpits collected from eight glaciers in the Tibetan Plateau and adjacent areas have been investigated. Drawing on the integrated data, our study summarized the seasonal and spatial characteristics of snow chemistry, and their potential sources. Distinct seasonal patterns of δ18O values in snowpits indicated more negative in the south TP controlled by Indian monsoon, and less negative in the north TP and Tien Shan. Overall increasing concentrations of microparticles and crustal ions from south to north indicated a strength of dust deposition on glaciers from semi-arid and arid regions. Principal component analysis and air mass trajectories suggested that chemical constituents were mainly attributable to crustal sources as demonstrated by the high concentrations of ions occurring during the non-monsoon seasons. Nevertheless, other sources, such as anthropogenic pollution, played an important role on chemical variations of glaciers near the human activity centers. This study concluded that air mass transport from different sources played important roles on the spatial distributions and seasonality of glaciochemistry.

Chemical composition and antibacterial activity of Cordia verbenacea extracts obtained by different methods.

Science.gov (United States)

Michielin, Eliane M Z; Salvador, Ana A; Riehl, Carlos A S; Smânia, Artur; Smânia, Elza F A; Ferreira, Sandra R S

2009-12-01

The present study describes the chemical composition and the antibacterial activity of extracts from Cordia verbenacea DC (Borraginaceae), a traditional medicinal plant that grows widely along the southeastern coast of Brazil. The extracts were obtained using different extraction techniques: high-pressure operations and low-pressure methods. The high-pressure technique was applied to obtain C. verbenacea extracts using pure CO(2) and CO(2) with co-solvent at pressures up to 30MPa and temperatures of 30, 40 and 50 degrees C. Organic solvents such as n-hexane, ethyl acetate, ethanol, acetone and dichloromethane were used to obtain extracts by low-pressure processes. The antibacterial activity of the extracts was also subjected to screening against four strains of bacteria using the agar dilution method. The extraction yields were up to 5.0% w/w and up to 8.6% w/w for supercritical fluid extraction with pure CO(2) and with ethyl acetate as co-solvent, respectively, while the low-pressure extraction indicates yields up to 24.0% w/w in the soxhlet extraction using water and aqueous mixture with 50% ethanol as solvents. The inhibitory activity of the extracts in gram-positive bacteria was significantly higher than in gram-negative. The quantification and the identification of the extracts recovered were accomplished using GC/MS analysis. The most important components identified in the extract were artemetin, beta-sitosterol, alpha-humulene and beta-caryophyllene, among others.

Comparison of chemical constituents and antimicrobial activities of three essential oils from three different brands' clove samples collected from Gulf region

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Mohammad Amzad Hossain

2014-08-01

Full Text Available Objective: To analyze three essential oils isolated from three different brands' clove samples collected from Gulf region and tested their antimicrobial activities. Methods: The essential oils were isolated from powder clove samples by water distillation method and analyzed and identified by gas chromatography-mass spectrometry. Antimicrobial activities of the three isolated essential oils were calculated on the diameter inhibition zone by disc diffusion method against three bacterial strains with amoxicillin standard. Results: Twenty-eight, twenty-two and twenty-six chemical ingredients with high percentage were characterized based on gas chromatography retention time from clove essential oils collected from Saudi Arabia, United Arab Emirate and Jordan. The highest antimicrobial activity was obtained from Saudi Arab against Escherichia coli, Pseudomonus aeruginosa and Staphylococcus aureus and the lowest was from Jordan and the order of antimicrobial activity was Saudi Arabia>United Arab Emirate>Jordan. Conclusions: All three essential oils from Gulf region are containing very portent chemical ingredients and it could be used as medicine or antibiotics for different aliments.

High surface area microporous activated carbons prepared from Fox nut (Euryale ferox) shell by zinc chloride activation

Energy Technology Data Exchange (ETDEWEB)

Kumar, Arvind; Mohan Jena, Hara, E-mail: hmjena@nitrkl.ac.in

2015-11-30

Graphical abstract: - Highlights: • Activated carbons have been prepared from Fox nutshell with chemical activation using ZnCl{sub 2}. • The thermal behavior of the raw material and impregnated raw material has been carried out by thermogravimetric analysis. • The characterizations of the prepared activated carbons have been determined by nitrogen adsorption–desorption isotherms, FTIR, XRD, and FESEM. • The BET surface area and total pore volume of prepared activated carbon has been obtained as 2869 m{sup 2}/g, 2124 m{sup 2}/g, and 1.96 cm{sup 3}/g, respectively. • The microporous surface area, micropore volume, and microporosity percentage of prepared activated carbon has been obtained as 2124 m{sup 2}/g, 1.68 cm{sup 3}/g, and 85.71%, respectively. - Abstract: High surface area microporous activated carbon has been prepared from Fox nutshell (Euryale ferox) by chemical activation with ZnCl{sub 2} as an activator. The process has been conducted at different impregnation (ZnCl{sub 2}/Fox nutshell) ratios (1–2.5) and carbonization temperatures (500–700 °C). The thermal decomposition behavior of Fox nutshell and impregnated Fox nutshell has been carried out by thermogravimetric analysis. The pore properties including the BET surface area, micropore surface area, micropore volume, and pore size distribution of the activated carbons have been determined by nitrogen adsorption–desorption isotherms at −196 °C using the BET, t-plot method, DR, and BJH methods. The BET surface area, the microporous surface area, total pore volume, and micropore volume have been obtained as 2869 m{sup 2}/g, 2124 m{sup 2}/g, 1.96 cm{sup 3}/g, and 1.68 cm{sup 3}/g, respectively, and the microporosity percentage of the prepared activated carbon is 85.71%. The prepared activated carbons have been also characterized with instrumental methods such as Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), and field emission scanning electron microscopy (FESEM).

High surface area microporous activated carbons prepared from Fox nut (Euryale ferox) shell by zinc chloride activation

International Nuclear Information System (INIS)

Kumar, Arvind; Mohan Jena, Hara

2015-01-01

Graphical abstract: - Highlights: • Activated carbons have been prepared from Fox nutshell with chemical activation using ZnCl 2 . • The thermal behavior of the raw material and impregnated raw material has been carried out by thermogravimetric analysis. • The characterizations of the prepared activated carbons have been determined by nitrogen adsorption–desorption isotherms, FTIR, XRD, and FESEM. • The BET surface area and total pore volume of prepared activated carbon has been obtained as 2869 m 2 /g, 2124 m 2 /g, and 1.96 cm 3 /g, respectively. • The microporous surface area, micropore volume, and microporosity percentage of prepared activated carbon has been obtained as 2124 m 2 /g, 1.68 cm 3 /g, and 85.71%, respectively. - Abstract: High surface area microporous activated carbon has been prepared from Fox nutshell (Euryale ferox) by chemical activation with ZnCl 2 as an activator. The process has been conducted at different impregnation (ZnCl 2 /Fox nutshell) ratios (1–2.5) and carbonization temperatures (500–700 °C). The thermal decomposition behavior of Fox nutshell and impregnated Fox nutshell has been carried out by thermogravimetric analysis. The pore properties including the BET surface area, micropore surface area, micropore volume, and pore size distribution of the activated carbons have been determined by nitrogen adsorption–desorption isotherms at −196 °C using the BET, t-plot method, DR, and BJH methods. The BET surface area, the microporous surface area, total pore volume, and micropore volume have been obtained as 2869 m 2 /g, 2124 m 2 /g, 1.96 cm 3 /g, and 1.68 cm 3 /g, respectively, and the microporosity percentage of the prepared activated carbon is 85.71%. The prepared activated carbons have been also characterized with instrumental methods such as Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), and field emission scanning electron microscopy (FESEM).

CHEMICAL INTERACTIONS TO CLEANUP HIGHLY POLLUTED AUTOMOBILE SERVICE STATION WASTEWATER BY BIOADSORPTION-COAGULATION-FLOCCULATION

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Carlos Banchon

2017-01-01

Full Text Available The present study addresses an ecofriendly solution to treat automobile service stations effluents with high concentrations of oily substances, surfactants, organic matter and heavy metals. Bioadsorption using sawdust from pine trees, sugar cane bagasse and coconut coir without any chemical modification removed colloidal contamination up to 70%. Polyaluminium chloride, ferric chloride and polyacrylamide were applied to remove dissolved and colloidal pollutants under saline conditions without change of initial pH. Both bioadsorption and coagulation-flocculation removed up to 97.8% of BOD, COD, surfactants and heavy metals at a saline concentration of 1.5% NaCl. The increase of ionic strength promoted a high sludge index and a representative cost saving in chemicals consumption of almost 70%. High levels of pollution removal with the minimal use of chemicals is herein presented.

The versatility of hot-filament activated chemical vapor deposition

International Nuclear Information System (INIS)

Schaefer, Lothar; Hoefer, Markus; Kroeger, Roland

2006-01-01

In the field of activated chemical vapor deposition (CVD) of polycrystalline diamond films, hot-filament activation (HF-CVD) is widely used for applications where large deposition areas are needed or three-dimensional substrates have to be coated. We have developed processes for the deposition of conductive, boron-doped diamond films as well as for tribological crystalline diamond coatings on deposition areas up to 50 cm x 100 cm. Such multi-filament processes are used to produce diamond electrodes for advanced electrochemical processes or large batches of diamond-coated tools and parts, respectively. These processes demonstrate the high degree of uniformity and reproducibility of hot-filament CVD. The usability of hot-filament CVD for diamond deposition on three-dimensional substrates is well known for CVD diamond shaft tools. We also develop interior diamond coatings for drawing dies, nozzles, and thread guides. Hot-filament CVD also enables the deposition of diamond film modifications with tailored properties. In order to adjust the surface topography to specific applications, we apply processes for smooth, fine-grained or textured diamond films for cutting tools and tribological applications. Rough diamond is employed for grinding applications. Multilayers of fine-grained and coarse-grained diamond have been developed, showing increased shock resistance due to reduced crack propagation. Hot-filament CVD is also used for in situ deposition of carbide coatings and diamond-carbide composites, and the deposition of non-diamond, silicon-based films. These coatings are suitable as diffusion barriers and are also applied for adhesion and stress engineering and for semiconductor applications, respectively

Chemical composition and antifungal activity of the essential oils of Schinus weinmannifolius collected in the spring and winter.

Science.gov (United States)

Hernandes, Camila; Taleb-Contini, Silvia H; Bartolomeu, Ana Carolina D; Bertoni, Bianca W; França, Suzelei C; Pereira, Ana Maria S

2014-09-01

Reports on the chemical and pharmacological profile of the essential oil of Schinus weinmannifolius do not exist, although other Schinus species have been widely investigated for their biological activities. This work aimed to evaluate the chemical composition and antimicrobial activity of the essential oil of S. weinmannifolius collected in the spring and winter. The essential oils were extracted by hydrodistillation, analyzed by GC/MS and submitted to microdilution tests, to determine the minimum inhibitory concentration. The oils displayed different chemical composition and antimicrobial action. Bicyclogermacrene and limonene predominated in the oils extracted in the winter and spring, respectively, whereas only the latter oil exhibited antifungal activity.

Sources of toxicity and exposure information for identifying chemicals of high concern to children

International Nuclear Information System (INIS)

Stone, Alex; Delistraty, Damon

2010-01-01

Due to the large number of chemicals in commerce without adequate toxicity characterization data, coupled with an ineffective federal policy for chemical management in the United States, many states are grappling with the challenge to identify toxic chemicals that may pose a risk to human health and the environment. Specific populations (e.g., children, elderly) are particularly sensitive to these toxic chemicals. In 2008, the Children's Safe Product Act (CSPA) was passed in Washington State. The CSPA included specific requirements to identify High Priority Chemicals (HPCs) and Chemicals of High Concern to Children (CHCCs). To implement this legislation, a methodology was developed to identify HPCs from authoritative scientific and regulatory sources on the basis of toxicity criteria. Another set of chemicals of concern was then identified from authoritative sources, based on their potential exposure to children. Exposure potential was evaluated by identifying chemicals detected in biomonitoring studies (i.e., human tissues), as well as those present in residential exposure media (e.g., indoor air, house dust, drinking water, consumer products). Accordingly, CHCCs were defined as HPCs that also appear in biomonitoring studies or relevant exposure media. For chemicals with unique Chemical Abstracts Service (CAS) numbers, we identified 2044 HPCs and 2219 chemicals with potential exposure to children, resulting in 476 CHCCs. The process of chemical identification is dynamic, so that chemicals may be added or subtracted as new information becomes available. Although beyond the scope of this paper, the 476 CHCCs will be prioritized in a more detailed assessment, based on the strength and weight of evidence of toxicity and exposure data. Our approach was developed to be flexible which allows the addition or removal of specific sources of toxicity or exposure information, as well as transparent to allow clear identification of inputs. Although the methodology was

Shape-dependent guidance of active Janus particles by chemically patterned surfaces

Science.gov (United States)

Uspal, W. E.; Popescu, M. N.; Tasinkevych, M.; Dietrich, S.

2018-01-01

Self-phoretic chemically active Janus particles move by inducing—via non-equilibrium chemical reactions occurring on their surfaces—changes in the chemical composition of the solution in which they are immersed. This process leads to gradients in chemical composition along the surface of the particle, as well as along any nearby boundaries, including solid walls. Chemical gradients along a wall can give rise to chemi-osmosis, i.e., the gradients drive surface flows which, in turn, drive flow in the volume of the solution. This bulk flow couples back to the particle, and thus contributes to its self-motility. Since chemi-osmosis strongly depends on the molecular interactions between the diffusing molecular species and the wall, the response flow induced and experienced by a particle encodes information about any chemical patterning of the wall. Here, we extend previous studies on self-phoresis of a sphere near a chemically patterned wall to the case of particles with rod-like, elongated shape. We focus our analysis on the new phenomenology potentially emerging from the coupling—which is inoperative for a spherical shape—of the elongated particle to the strain rate tensor of the chemi-osmotic flow. Via detailed numerical calculations, we show that the dynamics of a rod-like particle exhibits a novel ‘edge-following’ steady state: the particle translates along the edge of a chemical step at a steady distance from the step and with a steady orientation. Moreover, within a certain range of system parameters, the edge-following state co-exists with a ‘docking’ state (the particle stops at the step, oriented perpendicular to the step edge), i.e., a bistable dynamics occurs. These findings are rationalized as a consequence of the competition between the fluid vorticity and the rate of strain by using analytical theory based on the point-particle approximation which captures quasi-quantitatively the dynamics of the system.

High temperature chemically resistant polymer concrete

Science.gov (United States)

Sugama, T.; Kukacka, L.E.

High temperature chemically resistant, non-aqueous polymer concrete composites consist of about 12 to 20% by weight of a water-insoluble polymer binder. The binder is polymerized in situ from a liquid vinyl-type monomer or mixture of vinyl containing monomers such as triallylcyanurate, styrene, acrylonitrile, acrylamide, methacrylamide, methyl-methacrylate, trimethylolpropane trimethacrylate and divinyl benzene. About 5 to 40% by weight of a reactive inorganic filler selected from the group consisting of tricalcium silicate and dicalcium silicate and mixtures containing less than 2% free lime, and about 48 to 83% by weight of silica sand/ and a free radical initiator such as di-tert-butyl peroxide, azobisisobutyronitrile, benzoyl peroxide, lauryl peroxide, other orgaic peroxides and combinations to initiate polymerization of the monomer in the presence of the inorganic filers are used.

Method of preparing [methyl-3H]thymine and 5-hydroxy[3H]methyluracil mixture of high molar activity

International Nuclear Information System (INIS)

Filip, J.; Bohacek, L.

1981-01-01

Non-active 5-formyluracil dissolved in 0.01 N to 1.0 N of hydrochloric acid is acted upon by gaseous carrier-free tritium at room temperature in the presence of a heterogeneous palladium/carrier catalyst, with advantage palladium on barium sulfate. The described procedure allows the preparation of [methyl- 3 H]thymine on a microscale, with a high molar activity in a single reaction stage with a high chemical (50-70%) and radiochemical (15-25%) yield. (J.P.)

Tin-containing zeolites are highly active catalysts for the isomerization of glucose in water

OpenAIRE

Moliner, Manuel; Román-Leshkov, Yuriy; Davis, Mark E.

2010-01-01

The isomerization of glucose into fructose is a large-scale reaction for the production of high-fructose corn syrup (HFCS; reaction performed by enzyme catalysts) and recently is being considered as an intermediate step in the possible route of biomass to fuels and chemicals. Here, it is shown that a large-pore zeolite that contains tin (Sn-Beta) is able to isomerize glucose to fructose in aqueous media with high activity and selectivity. Specifically, a 10% (wt/wt) glucose solution containin...

77 FR 75145 - Impact of the Implementation of the Chemical Weapons Convention (CWC) on Commercial Activities...

Science.gov (United States)

2012-12-19

... interests of chemical, biotechnology, and pharmaceutical firms in the United States are not being... commercial activities and interests of chemical, biotechnology, and pharmaceutical firms in the United States... conditions to its ratification. Condition 9, titled ``Protection of Advanced Biotechnology,'' calls for the...

Determination of chemical activities of Fe, Cr, Ni and Mn in stainless steel 316 by Knudsen effusion cell mass spectrometry

International Nuclear Information System (INIS)

Venugopal, V.; Kulkarni, S.G.; Subbanna, C.S.; Sood, D.D.

1995-01-01

Cold-worked austenitic stainless steel of the type AISI 316 is being used as the cladding and wrapper materials in fast reactor fuel pins. Knowledge of the thermodynamic activities of the steel constituents is necessary to predict the possibility of fuel-cladding, coolant-cladding or fission product-cladding chemical reactions. The thermodynamic activities of Fe, Cr, Ni and Mn for stainless steel 316 were determined by measuring their partial pressures in the temperature range 1293-2120 K, using Knudsen effusion cell mass spectrometry. High purity Ag was used as an internal calibrant. The chemical activities of Fe (a Fe ), Cr (a Cr ), Ni (a Ni ) and Mn (a Mn ) were evaluated using literature data for the vapour pressures of pure metals. log a Fe ±0.18=-1.586+2074/T (T=1293-1872 K)log a Cr ±0.30=-2.350+2612/T (T=1293-2120 K)log a Ni ±0.20=-2.140+1794/T (T=1468-1974 K)log a Mn ±0.23=-2.041-5478/T (T=1302-1894 K) ((orig.))

Complementing high-throughput X-ray powder diffraction data with quantum-chemical calculations

DEFF Research Database (Denmark)

Naelapaa, Kaisa; van de Streek, Jacco; Rantanen, Jukka

2012-01-01

of piroxicam form III. These combined experimental/quantum-chemical methods can provide access to reliable structural information in the course of an intensive experimentally based solid-form screening activity or in other circumstances wherein single crystals might never be viable, for example, for polymorphs...

Chemical constituents and biological activities of Dianthus elegans var. elegans.

Science.gov (United States)

Mutlu, Kiymet; Sarikahya, Nazli Boke; Nalbantsoy, Ayse; Kirmizigul, Suheyla

2018-06-01

Chemical investigation of the aerial parts of Dianthus elegans var. elegans afforded two previously undescribed saponins, named dianosides M-N (1-2), together with four oleanane-type triterpenoid glycosides (3-6). Their structures were elucidated as 3-O-α-L-arabinofuranosyl-16α-hydroxyolean-12-ene-23α, 28β-dioic acid (1) and 3-O-α-L-arabinofuranosyl-(1 → 3)-β-D-glucopyranosyl 16α-hydroxyolean-12-ene-23α-oic acid, 28-O-β-D-glucopyranosyl-(1 → 6)-β-D-glycosyl ester (2) by chemical and extensive spectroscopic methods including IR, 1D, 2D NMR and HRESIMS. Both of the saponins were evaluated for their cytotoxicities against HEK-293, A-549 and HeLa human cancer cells using the MTT method. All compounds showed no substantial cytotoxic activity against tested cell lines. However, dianosides M-N and the n-butanol fraction exhibited considerable haemolysis in human erythrocyte cells. The immunomodulatory properties of dianosides M-N were also evaluated in activated whole blood cells by PMA plus ionomycin. Dianosides M-N increased IL-1β concentration significantly whereas the n-butanol fraction slightly augmented IL-1β secretion. All compounds did not change IL-2 and IFN-γ levels considerably.

“Miswak” Based Green Synthesis of Silver Nanoparticles: Evaluation and Comparison of Their Microbicidal Activities with the Chemical Synthesis

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Mohammed Rafi Shaik

2016-11-01

Full Text Available Microbicidal potential of silver nanoparticles (Ag-NPs can be drastically improved by improving their solubility or wettability in the aqueous medium. In the present study, we report the synthesis of both green and chemical synthesis of Ag-NPs, and evaluate the effect of the dispersion qualities of as-prepared Ag-NPs from both methods on their antimicrobial activities. The green synthesis of Ag-NPs is carried out by using an aqueous solution of readily available Salvadora persica L. root extract (RE as a bioreductant. The formation of highly crystalline Ag-NPs was established by various analytical and microscopic techniques. The rich phenolic contents of S. persica L. RE (Miswak not only promoted the reduction and formation of NPs but they also facilitated the stabilization of the Ag-NPs, which was established by Fourier transform infrared spectroscopy (FT-IR analysis. Furthermore, the influence of the volume of the RE on the size and the dispersion qualities of the NPs was also evaluated. It was revealed that with increasing the volume of RE the size of the NPs was deteriorated, whereas at lower concentrations of RE smaller size and less aggregated NPs were obtained. During this study, the antimicrobial activities of both chemically and green synthesized Ag-NPs, along with the aqueous RE of S. persica L., were evaluated against various microorganisms. It was observed that the green synthesized Ag-NPs exhibit comparable or slightly higher antibacterial activities than the chemically obtained Ag-NPs.

High-Performance Liquid Chromatography in the Undergraduate Chemical Engineering Laboratory

Science.gov (United States)

Frey, Douglas D.; Guo, Hui; Karnik, Nikhila

2013-01-01

This article describes the assembly of a simple, low-cost, high-performance liquid chromatography (HPLC) system and its use in the undergraduate chemical engineering laboratory course to perform simple experiments. By interpreting the results from these experiments students are able to gain significant experience in the general method of…

Integrating high-content imaging and chemical genetics to probe host cellular pathways critical for Yersinia pestis infection.

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Krishna P Kota

Full Text Available The molecular machinery that regulates the entry and survival of Yersinia pestis in host macrophages is poorly understood. Here, we report the development of automated high-content imaging assays to quantitate the internalization of virulent Y. pestis CO92 by macrophages and the subsequent activation of host NF-κB. Implementation of these assays in a focused chemical screen identified kinase inhibitors that inhibited both of these processes. Rac-2-ethoxy-3 octadecanamido-1-propylphosphocholine (a protein Kinase C inhibitor, wortmannin (a PI3K inhibitor, and parthenolide (an IκB kinase inhibitor, inhibited pathogen-induced NF-κB activation and reduced bacterial entry and survival within macrophages. Parthenolide inhibited NF-κB activation in response to stimulation with Pam3CSK4 (a TLR2 agonist, E. coli LPS (a TLR4 agonist or Y. pestis infection, while the PI3K and PKC inhibitors were selective only for Y. pestis infection. Together, our results suggest that phagocytosis is the major stimulus for NF-κB activation in response to Y. pestis infection, and that Y. pestis entry into macrophages may involve the participation of protein kinases such as PI3K and PKC. More importantly, the automated image-based screening platform described here can be applied to the study of other bacteria in general and, in combination with chemical genetic screening, can be used to identify host cell functions facilitating the identification of novel antibacterial therapeutics.

An Alkali Activated Binder for High Chemical Resistant Self-Leveling Mortar

OpenAIRE

Funke, Henrik L.; Gelbrich, Sandra; Kroll, Lothar

2016-01-01

This paper reports the development of an Alkali Activated Binder (AAB) with an emphasis on the performance and the durability of the AAB-matrix. For the development of the matrix, the reactive components granulated slag and coal fly ash were used, which were alkali activated with a mixture of sodium hydroxide (2 - 10 mol/l) and aqueous sodium silicate solution (SiO2/Na2O molar ratio: 2.1) at ambient temperature. A sodium hydroxide concentration of 5.5 mol/l revealed the best compromise betwee...

Chemical analysis of high purity graphite

International Nuclear Information System (INIS)

1993-03-01

The Sub-Committee on Chemical Analysis of Graphite was organized in April 1989, under the Committee on Chemical Analysis of Nuclear Fuels and Reactor Materials, JAERI. The Sub-Committee carried out collaborative analyses among eleven participating laboratories for the certification of the Certified Reference Materials (CRMs), JAERI-G5 and G6, after developing and evaluating analytical methods during the period of September 1989 to March 1992. The certified values were given for ash, boron and silicon in the CRM based on the collaborative analysis. The values for ten elements (Al, Ca, Cr, Fe, Mg, Mo, Ni, Sr, Ti, V) were not certified, but given for information. Preparation, homogeneity testing and chemical analyses for certification of reference materials were described in this paper. (author) 52 refs

Antifungal and phytotoxic activity of essential oil from root of Senecio amplexicaulis Kunth. (Asteraceae) growing wild in high altitude-Himalayan region.

Science.gov (United States)

Singh, Rajendra; Ahluwalia, Vivek; Singh, Pratap; Kumar, Naresh; Prakash Sati, Om; Sati, Nitin

2016-08-01

This work was aimed to evaluate the essential oil from root of medicinally important plant Senecio amplexicaulis for chemical composition, antifungal and phytotoxic activity. The chemical composition analysed by GC/GC-MS showed the presence of monoterpene hydrocarbons in high percentage with marker compounds as α-phellandrene (48.57%), o-cymene (16.80%) and β-ocimene (7.61%). The essential oil exhibited significant antifungal activity against five phytopathogenic fungi, Sclerotium rolfsii, Macrophomina phaseolina, Rhizoctonia solani, Pythium debaryanum and Fusarium oxysporum. The oil demonstrated remarkable phytotoxic activity in tested concentration and significant reduction in seed germination percentage of Phalaris minor and Triticum aestivum at higher concentrations. The roots essential oil showed high yield for one of its marker compound (α-phellandrene) which makes it important natural source of this compound.

Chemical Composition and Antibacterial Activity of the Essential Oil of Vitex agnus-castus L. (Lamiaceae).

Science.gov (United States)

Gonçalves, Regiane; Ayres, Vanessa F S; Carvalho, Carlos E; Souza, Maria G M; Guimarães, Anderson C; Corrêa, Geone M; Martins, Carlos H G; Takeara, Renata; Silva, Eliane O; Crotti, Antônio E M

2017-01-01

Abnormal multiplication of oral bacteria causes dental caries and dental plaque. These diseases continue to be major public health concerns worldwide, mainly in developing countries. In this study, the chemical composition and antimicrobial activity of the essential oil of Vitex agnus-castus leaves (VAC‒EO) collected in the North of Brazil against a representative panel of cariogenic bacteria were investigated. The antimicrobial activity of VAC-EO was evaluated in terms of its minimum inhibitory concentration (MIC) values by using the broth microdilution method in 96-well microplates. The chemical constituents of VAC-EO were identified by gas chromatography (GC‒FID) and gas chromatography‒mass spectrometry (GC‒MS). VAC‒EO displayed some activity against all the investigated oral pathogens; MIC values ranged from 15.6 to 200 μg/mL. VAC-EO had promising activity against Streptococcus mutans (MIC= 15.6 μg/mL), Lactobacillus casei (MIC= 15.6 μg/mL), and Streptococcus mitis (MIC= 31.2 μg/mL). The compounds 1,8-cineole (23.8%), (E)-β-farnesene (14.6%), (E)-caryophyllene (12.5%), sabinene (11.4%), and α-terpinyl acetate (7.7%) were the major chemical constituents of VAC‒EO. VAC-EO displays antimicrobial activity against cariogenic bacteria. The efficacy of VAC-EO against S. mutans is noteworthy and should be further investigated.

Chemical Composition and Antibacterial Activity of the Essential Oil of Vitex agnus-castus L. (Lamiaceae

Directory of Open Access Journals (Sweden)

REGIANE GONÇALVES

Full Text Available ABSTRACT Abnormal multiplication of oral bacteria causes dental caries and dental plaque. These diseases continue to be major public health concerns worldwide, mainly in developing countries. In this study, the chemical composition and antimicrobial activity of the essential oil of Vitex agnus-castus leaves (VAC‒EO collected in the North of Brazil against a representative panel of cariogenic bacteria were investigated. The antimicrobial activity of VAC-EO was evaluated in terms of its minimum inhibitory concentration (MIC values by using the broth microdilution method in 96-well microplates. The chemical constituents of VAC-EO were identified by gas chromatography (GC‒FID and gas chromatography‒mass spectrometry (GC‒MS. VAC‒EO displayed some activity against all the investigated oral pathogens; MIC values ranged from 15.6 to 200 μg/mL. VAC-EO had promising activity against Streptococcus mutans (MIC= 15.6 μg/mL, Lactobacillus casei (MIC= 15.6 μg/mL, and Streptococcus mitis (MIC= 31.2 μg/mL. The compounds 1,8-cineole (23.8%, (E-β-farnesene (14.6%, (E-caryophyllene (12.5%, sabinene (11.4%, and α-terpinyl acetate (7.7% were the major chemical constituents of VAC‒EO. VAC-EO displays antimicrobial activity against cariogenic bacteria. The efficacy of VAC-EO against S. mutans is noteworthy and should be further investigated.

A high-throughput colorimetric screening assay for terpene synthase activity based on substrate consumption.

Directory of Open Access Journals (Sweden)

Maiko Furubayashi

Full Text Available Terpene synthases catalyze the formation of a variety of terpene chemical structures. Systematic mutagenesis studies have been effective in providing insights into the characteristic and complex mechanisms of C-C bond formations and in exploring the enzymatic potential for inventing new chemical structures. In addition, there is growing demand to increase terpene synthase activity in heterologous hosts, given the maturation of metabolic engineering and host breeding for terpenoid synthesis. We have developed a simple screening method for the cellular activities of terpene synthases by scoring their substrate consumption based on the color loss of the cell harboring carotenoid pathways. We demonstrate that this method can be used to detect activities of various terpene synthase or prenyltransferase genes in a high-throughput manner, irrespective of the product type, enabling the mutation analysis and directed evolution of terpene synthases. We also report the possibility for substrate-specific screening system of terpene synthases by taking advantage of the substrate-size specificity of C30 and C40 carotenoid pathways.

High-throughput exposure modeling to support prioritization of chemicals in personal care products

DEFF Research Database (Denmark)

Csiszar, Susan A.; Ernstoff, Alexi; Fantke, Peter

2016-01-01

-on and wash-off products which had median PiFs of 0.5 and 0.02 across the 518 chemicals, respectively. The PiF is a function of product characteristics and physico-chemical properties and is maximized when skin permeability is high and volatility is low such that there is no competition between skin and air...

A coupled model between mechanical deformation and chemical diffusion: An explanation for the preservation of chemical zonation in plagioclase at high temperatures

Science.gov (United States)

Zhong, Xin; Vrijmoed, Johannes; Moulas, Evangelos; Tajcmanová, Lucie

2016-04-01

Compositional zoning in metamorphic minerals have been generally recognized as an important geological feature to decipher the metamorphic history of rocks. The observed chemical zoning of, e.g. garnet, is commonly interpreted as disequilibrium between the fractionated inner core and the surrounding matrix. However, chemically zoned minerals were also observed in high grade rocks (T>800 degree C) where the duration of metamorphic processes was independently dated to take several Ma. This implies that temperature may not be the only factor that controls diffusion timescales, and grain scale pressure variation was proposed to be a complementary factor that may significantly contribute to the formation and preservation of chemical zoning in high temperature metamorphic minerals [Tajcmanová 2013, 2015]. Here, a coupled model is developed to simulate viscous deformation and chemical diffusion. The numerical approach considers the conservation of mass, momentum, and a constitutive relation developed from equilibrium thermodynamics. A compressible viscoelastic rheology is applied, which associates the volumetric change triggered by deformation and diffusion to a change of pressure. The numerical model is applied to the chemically zoned plagioclase rim described by [Tajcmanová 2014]. The diffusion process operating during the plagioclase rim formation can lead to a development of a pressure gradient. Such a pressure gradient, if maintained during ongoing viscous relaxation, can lead to the preservation of the observed chemical zonation in minerals. An important dimensionless number, the Deborah number, is defined as the ratio between the Maxwell viscoelastic relaxation time and the characteristic diffusion time. It characterizes the relative influence between the maintenance of grain scale pressure variation and chemical diffusion. Two extreme regimes are shown: the mechanically-controlled regime (high Deborah number) and diffusion-controlled regime (low Deborah number

Apparatus and method for enhanced chemical processing in high pressure and atmospheric plasmas produced by high frequency electromagnetic waves

Science.gov (United States)

Efthimion, Philip C.; Helfritch, Dennis J.

1989-11-28

An apparatus and method for creating high temperature plasmas for enhanced chemical processing of gaseous fluids, toxic chemicals, and the like, at a wide range of pressures, especially at atmospheric and high pressures includes an electro-magnetic resonator cavity, preferably a reentrant cavity, and a wave guiding structure which connects an electro-magnetic source to the cavity. The cavity includes an intake port and an exhaust port, each having apertures in the conductive walls of the cavity sufficient for the intake of the gaseous fluids and for the discharge of the processed gaseous fluids. The apertures are sufficiently small to prevent the leakage of the electro-magnetic radiation from the cavity. Gaseous fluid flowing from the direction of the electro-magnetic source through the guiding wave structure and into the cavity acts on the plasma to push it away from the guiding wave structure and the electro-magnetic source. The gaseous fluid flow confines the high temperature plasma inside the cavity and allows complete chemical processing of the gaseous fluids at a wide range of pressures.

[Chemical Constituents from Leaves of Hibiscus syriacus and Their α-Glucosidase Inhibitory Activities].

Science.gov (United States)

Wei, Qiang; Ji, Xiao-ying; Xu, Fei; Li, Qian-rong; Yin, Hao

2015-05-01

To study the chemical constituents from Hibiscus syriacus leaves and their α-glucosidase inhibitory activities. Column chromatography including macroporous resins, silica gel and Sephadex LH-20 were used for the isolation and purification of all compounds. Spectroscopic methods including physical and chemical properties, 1H-NMR and 13C-NMR were used for the identification of structures. Their α-glucosidase inhibitory activities were detected by a 96-well microplate. 15 compounds were isolated and identified as β-sitosterol(1), β-daucostero (2), β-amyrin (3), oleanolic acid (4), stigmast-4-en-3-one (5), friedelin (6), syriacusin A (7), kaempferol (8), isovitexin (9), vitexin (10), apigenin (11), apigenin-7-O-β-D-glucopyranoside (12), luteolin-7-O-β-D-glucopyranoside (13), vitexin-7-O-β-D-glucopyranoside (14) and rutin (15). All the compounds are isolated from the leaves of Hibiscus syriacus for the first time. Taking acarbose as positive control, the α-glucosidase inhibitory activities of 15 compounds were evaluated. Compounds 7 and 9 have shown strong α-glucosidase inhibitory activities with IC50 of 39.03 ± 0.38 and 32.12 ± 0.62 mg/L, inhibition ratio of 94.95% and 97.15%, respectively.

Chemical characterization and antioxidant activity of Eryngium campestre L., Apiaceae from Kosovo

Directory of Open Access Journals (Sweden)

Flurim Nebija

2009-12-01

Full Text Available This study is outlined to define the chemical composition and in vitro antioxidant activity of the extracts of aerial part and root of Eryngium campestre L. (Apiaceae from Kosovo. Analysis of the chemical composition include determination of total ash, ash insoluble in hydrochloric acid, loss on drying and the content of water extract, as well as determination of flavonoids in aerial part and hemolytic activity of the root. The mineral composition (Zn, Fe, Cu, Mn, Ni, K, Co, Pb, Cd and Cr in aerial parts and root has been studied using atomic absorption spectroscopy (AAS and ETAAS. Different part of E. campestre accumulate different amounts of investigated minerals. Antioxidant activity was determined by four various testing systems: DPPH assay, inhibition of production of hydroxyl radical, β-carotenebleaching assay, and inhibition of lipid peroxidation (TBA test. In DPPH system, ethanol extract of root of E. campestre exhibited higher radical-scavenging activity (IC50 = 0.72 mg ml-1 compared to the extract of the aerial part (IC50 = 1.14 mg ml-1. On the other hand, aerial part ethanol extract has exhibited stronger inhibition capacity on the production of hydroxyl radical in deoxyribose system than the root extract (50% and 45%, respectively. However, both ethanol extracts of E. campestre exhibited low antioxidant activity in β-carotenebleaching assay as well as, low capacity for inhibition of spontaneous lipid peroxidation in rat liver homogenate.

Effects of pesticide chemicals on the activity of metabolic enzymes: focus on thiocarbamates.

Science.gov (United States)

Mathieu, Cécile; Duval, Romain; Xu, Ximing; Rodrigues-Lima, Fernando; Dupret, Jean-Marie

2015-01-01

Thiocarbamates are chemicals widely used as pesticides. Occupational exposure is associated with acute intoxication. Populations can be exposed through food and water. Moreover, certain thiocarbamates are used clinically. The widespread use of thiocarbamates raises many issues regarding their toxicological and pharmacological impact. Thiocarbamates and their metabolites can modify biological macromolecules functions, in particular enzymes, through modification of cysteine residues, chelation of metal ions or modulation of the oxidative stress. Loss of enzyme activity can lead to the disruption of metabolic pathways, and explain, at least in part, the effects of these pesticides. Additionally, their reactivity and ability to easily cross biological barrier confer them a great interest for development of clinical applications. Many advances in the study of thiocarbamates metabolism and reactivity have led to a better knowledge of biological effects of these compounds. However, more data are needed on the determination of targets and specificity. Only few data concerning the exposure to a cocktail of pesticides/chemicals are available, raising the need to evaluate the toxic side effects of representative pesticides mixtures. Moreover, the dithiocarbamate Disulfiram has shown great potential in therapeutic applications and leads to the development of pharmacological thiocarbamates derivatives, highly specific to their target and easily distributed.

Chemical composition and biological activity of ripe pumpkin fruits (Cucurbita pepo L.) cultivated in Egyptian habitats.

Science.gov (United States)

Badr, Sherif E A; Shaaban, Mohamed; Elkholy, Yehya M; Helal, Maher H; Hamza, Akila S; Masoud, Mohamed S; El Safty, Mounir M

2011-09-01

The chemical composition and biological activity of three parts (rind, flesh and seeds) of pumpkin fruits (Cucurbita pepo L.) cultivated in Egypt were studied. Chemical analysis of fibre, protein, β-carotene, carbohydrates, minerals and fatty acids present in the rind, flesh, seeds and defatted seeds meal was conducted. Chemical, GC-MS and biological assays of organic extracts of the main fruit parts, rind and flesh established their unique constituents. Chromatographic purification of the extracts afforded triglyceride fatty acid mixture (1), tetrahydro-thiophene (2), linoleic acid (3), calotropoleanly ester (4), cholesterol (5) and 13(18)-oleanen-3-ol (6). GC-MS analysis of the extract's unpolar fraction revealed the existence of dodecane and tetradecane. Structures of the isolated compounds (1-6) were confirmed by NMR and EI-MS spectrometry. Antimicrobial, antiviral and antitumour activities of the fruit parts were discussed. The promising combined extract of rind and flesh was biologically studied for microbial and cytotoxic activities in comparison with the whole isolated components.

ChemicalVia: a CERN-patented technology for use in high-density circuits

CERN Multimedia

Patrice Loïez

2003-01-01

High-density multilayer printed circuits such as those pictured here are found in miniaturized modern equipment from video cameras to mobile phones. Adjacent layers in these circuits are electrically connected by microvias, consisting of a small-diameter hole (usually 50 µm) with a thin metal-deposited surface covering their cylindrical walls to ensure local conductivity between the two layers. ChemicalVia is a new method, patented by CERN, to make microvias on high-density multilayer printed circuits using chemicals rather than complex laser, plasma or photoimaging technology. The process is compatible with all standard printed-circuit assembly lines, and has the advantages of low initial investment and reduced manufacturing costs. http://www.cern.ch/ttdatabase

75 FR 68370 - Agency Information Collection Activities: Office of Infrastructure Protection; Chemical Security...

Science.gov (United States)

2010-11-05

... DEPARTMENT OF HOMELAND SECURITY National Protection and Programs Directorate [Docket No. DHS-2010-0071] Agency Information Collection Activities: Office of Infrastructure Protection; Chemical Security...: The Department of Homeland Security (DHS), National Protection and Programs Directorate (NPPD), Office...

Boosting Chemical Stability, Catalytic Activity, and Enantioselectivity of Metal-Organic Frameworks for Batch and Flow Reactions.

Science.gov (United States)

Chen, Xu; Jiang, Hong; Hou, Bang; Gong, Wei; Liu, Yan; Cui, Yong

2017-09-27

A key challenge in heterogeneous catalysis is the design and synthesis of heterogeneous catalysts featuring high catalytic activity, selectivity, and recyclability. Here we demonstrate that high-performance heterogeneous asymmetric catalysts can be engineered from a metal-organic framework (MOF) platform by using a ligand design strategy. Three porous chiral MOFs with the framework formula [Mn 2 L(H 2 O) 2 ] are prepared from enantiopure phosphono-carboxylate ligands of 1,1'-biphenol that are functionalized with 3,5-bis(trifluoromethyl)-, bismethyl-, and bisfluoro-phenyl substituents at the 3,3'-position. For the first time, we show that not only chemical stability but also catalytic activity and stereoselectivity of the MOFs can be tuned by modifying the ligand structures. Particularly, the MOF incorporated with -CF 3 groups on the pore walls exhibits enhanced tolerance to water, weak acid, and base compared with the MOFs with -F and -Me groups. Under both batch and flow reaction systems, the CF 3 -containing MOF demonstrated excellent reactivity, selectivity, and recyclability, affording high yields and enantioselectivities for alkylations of indoles and pyrrole with a range of ketoesters or nitroalkenes. In contrast, the corresponding homogeneous catalysts gave low enantioselectivity in catalyzing the tested reactions.

Secondary organic aerosols. Chemical aging, hygroscopicity, and cloud droplet activation

Energy Technology Data Exchange (ETDEWEB)

Buchholz, Angela

2011-07-06

Atmospheric aerosols have an important impact on the radiation balance, and thus, on the climate of the Earth. Aerosol particles scatter and absorb incoming solar and terrestrial radiation. Apart from this direct effect, aerosol particles act as cloud condensation nuclei (CCN), thereby greatly influencing the microphysics of clouds. Secondary organic aerosols (SOA) are an important fraction of the total aerosol mass. In many environments these organic compounds are mainly products of the oxidation of biogenic volatile organic compounds (VOC). In this study the hygroscopic growth and CCN activation of biogenic SOA were investigated which was formed by the oxidation of VOC with O{sub 3} and photochemically formed OH radicals under low NO{sub x} conditions. For this purpose, a complex mixture of VOC emitted by boreal tree species as gas-phase precursors was used in the Juelich Plant Atmosphere Chamber (JPAC). In long-term studies in the atmosphere simulation chamber SAPHIR {alpha}-pinene or a defined mixture of {alpha}-pinene, {beta}-pinene, limonene, ocimene, {delta}-3-carene served as precursors. Initial precursor concentrations between 40 and 1000 ppbC were investigated. The observed SOA particles were slightly hygroscopic with an average hygroscopicity parameter {kappa}(CCN) = 0.10 {+-} 0.02 and {kappa}(90%RH) = 0.05 {+-} 0.01. Closure between hygroscopic growth and CCN activation data could be achieved allowing either surface tension reduction, limited solubility, or non-ideality of the solution in the droplet. The SOA solutions in equilibrium with RH <95% are possible highly non-ideal. Therefore the organic-water interaction were investigated by applying the UNIFAC model. Calculations for surrogate compounds exhibited the same strong concentration (i.e. RH) dependence of {kappa} at sub-saturation. The growth curves could be fitted and CCN activation predicted by assuming a binary mixture of water and one hypothetical organic compound. The occurrence of

[Chemical constituents from petroleum ether fraction of Swertia chirayita and their activities in vitro].

Science.gov (United States)

You, Rong-Rong; Chen, Xue-Qing; He, Dan-Dan; Huang, Chang-Gao; Jin, Yang; Qian, Shi-Hui; Ju, Jian-Ming; Fan, Jun-Ting

2017-10-01

The present work is to study the chemical constituents from petroleum ether fraction of Tibetan medicine Swertia chirayita by column chromatography and recrystallization. The structures were identified by physical and chemical properties and spectral data as swerchirin (1), decussatin (2), 1,8-dihydroxy-3,5,7-trimethoxyxanthone (3), 1-hydroxy-3,5,7,8-tetramethoxyxanthone (4), bellidifolin (5), 1-hydroxy-3, 7-dimethoxyxanthone (6), methylswertianin (7), 1-hydroxy-3,5-dimethoxyxanthone (8), erythrodiol (9), oleanolic acid (10), gnetiolactone (11), scopoletin (12), sinapaldehyde (13), syringaldehyde (14), and β-sitosterol (15). Compounds 3, 4, 9, 11-14 were isolated from S. chirayita for the first time. Compounds 9 and 12 were firstly isolated from the genus Swertia. The cytotoxic activities of compounds 1, 2, 5, 7 and 8 against human pancreatic cancer cell lines SW1990 and BxPC-3,and the protective effects of these compounds against hydrogen peroxide (H2O2)-induced oxidative stress in human endothelium-derived EA.hy926 were investigated in vitro. The results showed no obvious effect at the high concentration of 50 μmol•L⁻¹. Copyright© by the Chinese Pharmaceutical Association.

Atomically Monodisperse Nickel Nanoclusters as Highly Active Electrocatalysts for Water Oxidation

KAUST Repository

Joya, Khurram

2016-04-08

Achieving water splitting at low overpotential with high oxygen evolution efficiency and stability is important for realizing solar to chemical energy conversion devices. Herein we report the synthesis, characterization and electrochemical evaluation of highly active nickel nanoclusters (Ni NCs) for water oxidation at low overpotential. These atomically precise and monodisperse Ni NCs are characterized by using UV-visible absorption spectroscopy, single crystal X-ray diffraction and mass spectrometry. The molecular formulae of these Ni NCs are found to be Ni4(PET)8 and Ni6(PET)12 and are highly active electrocatalysts for oxygen evolution without any pre-conditioning. Ni4(PET)8 are slightly better catalysts than Ni6(PET)12 and initiate the oxygen evolution at an amazingly low overpotential of ~1.51 V (vs RHE; η ≈ 280 mV). The peak oxygen evolution current density (J) of ~150 mA cm–2 at 2.0 V (vs. RHE) with a Tafel slope of 38 mV dec–1 is observed using Ni4(PET)8. These results are comparable to the state-of-the art RuO2 electrocatalyst, which is highly expensive and rare compared to Ni-based materials. Sustained oxygen generation for several hours with an applied current density of 20 mA cm–2 demonstrates the long-term stability and activity of these Ni NCs towards electrocatalytic water oxidation. This unique approach provides a facile method to prepare cost-effective, nanoscale and highly efficient electrocatalysts for water oxidation.

High resolution NMR theory and chemical applications

CERN Document Server

Becker, Edwin D

1999-01-01

High Resolution NMR provides a broad treatment of the principles and theory of nuclear magnetic resonance (NMR) as it is used in the chemical sciences. It is written at an "intermediate" level, with mathematics used to augment, rather than replace, clear verbal descriptions of the phenomena. The book is intended to allow a graduate student, advanced undergraduate, or researcher to understand NMR at a fundamental level, and to see illustrations of the applications of NMR to the determination of the structure of small organic molecules and macromolecules, including proteins. Emphasis is on the study of NMR in liquids, but the treatment also includes high resolution NMR in the solid state and the principles of NMR imaging and localized spectroscopy. Careful attention is given to developing and interrelating four approaches - steady state energy levels, the rotating vector picture, the density matrix, and the product operator formalism. The presentation is based on the assumption that the reader has an acquaintan...

CERAPP: Collaborative estrogen receptor activity prediction project

DEFF Research Database (Denmark)

Mansouri, Kamel; Abdelaziz, Ahmed; Rybacka, Aleksandra

2016-01-01

). Risk assessors need tools to prioritize chemicals for evaluation in costly in vivo tests, for instance, within the U.S. EPA Endocrine Disruptor Screening Program. oBjectives: We describe a large-scale modeling project called CERAPP (Collaborative Estrogen Receptor Activity Prediction Project...... States and Europe to predict ER activity of a common set of 32,464 chemical structures. Quantitative structure-activity relationship models and docking approaches were employed, mostly using a common training set of 1,677 chemical structures provided by the U.S. EPA, to build a total of 40 categorical......: Individual model scores ranged from 0.69 to 0.85, showing high prediction reliabilities. Out of the 32,464 chemicals, the consensus model predicted 4,001 chemicals (12.3%) as high priority actives and 6,742 potential actives (20.8%) to be considered for further testing. conclusion: This project demonstrated...

Wound healing activity and chemical standardization of Eugenia pruniformis Cambess

OpenAIRE

Ricardo Diego Duarte Galhardo de Albuquerque; Jamila Alessandra Perini; Daniel Escorsim Machado; Thaís Angeli-Gamba; Ricardo dos Santos Esteves; Marcelo Guerra Santos; Adriana Passos Oliveira; Leandro Rocha

2016-01-01

Background: Eugenia pruniformis is an endemic species from Brazil. Eugenia genus has flavonoids as one of the remarkable chemical classes which are related to the improvement of the healing process. Aims: To evaluate of wound healing activity of E. pruniformis leaves and to identify and quantify its main flavonoids compounds. Materials And Methods: Wound excision model in rats was used to verify the hydroethanolic and ethyl acetate extracts potential. The animals were divided in four groups o...

Endocrine-disrupting activity of hydraulic fracturing chemicals and adverse health outcomes after prenatal exposure in male mice

Science.gov (United States)

Kassotis, Christopher D.; Klemp, Kara C.; Vu, Danh C.; Lin, Chung-Ho; Meng, Chun-Xia; Besch-Williford, Cynthia L.; Pinatti, Lisa; Zoeller, R. Thomas; Drobnis, Erma Z.; Balise, Victoria D.; Isiguzo, Chiamaka J.; Williams, Michelle A.; Tillitt, Donald E.; Nagel, Susan C.

2015-01-01

Oil and natural gas operations have been shown to contaminate surface and ground water with endocrine-disrupting chemicals. In the current study, we fill several gaps in our understanding of the potential environmental impacts related to this process. We measured the endocrine-disrupting activities of 24 chemicals used and/or produced by oil and gas operations for five nuclear receptors using a reporter gene assay in human endometrial cancer cells. We also quantified the concentration of 16 of these chemicals in oil and gas wastewater samples. Finally, we assessed reproductive and developmental outcomes in male C57BL/6J mice after the prenatal exposure to a mixture of these chemicals. We found that 23 commonly used oil and natural gas operation chemicals can activate or inhibit the estrogen, androgen, glucocorticoid, progesterone, and/or thyroid receptors, and mixtures of these chemicals can behave synergistically, additively, or antagonistically in vitro. Prenatal exposure to a mixture of 23 oil and gas operation chemicals at 3, 30, and 300 μg/kg · d caused decreased sperm counts and increased testes, body, heart, and thymus weights and increased serum testosterone in male mice, suggesting multiple organ system impacts. Our results suggest possible adverse developmental and reproductive health outcomes in humans and animals exposed to potential environmentally relevant levels of oil and gas operation chemicals.

Dittrichia graveolens (L.) Greuter Essential Oil: Chemical Composition, Multivariate Analysis, and Antimicrobial Activity.

Science.gov (United States)

Mitic, Violeta; Stankov Jovanovic, Vesna; Ilic, Marija; Jovanovic, Olga; Djordjevic, Aleksandra; Stojanovic, Gordana

2016-01-01

The chemical composition and in vitro antimicrobial activities of Dittrichia graveolens (L.) Greuter essential oil was studied. Moreover, using agglomerative hierarchical cluster (AHC) and principal component analyses (PCA), the interrelationships of the D. graveolens essential-oil profiles characterized so far (including the sample from this study) were investigated. To evaluate the chemical composition of the essential oil, GC-FID and GC/MS analyses were performed. Altogether, 54 compounds were identified, accounting for 92.9% of the total oil composition. The D. graveolens oil belongs to the monoterpenoid chemotype, with monoterpenoids comprising 87.4% of the totally identified compounds. The major components were borneol (43.6%) and bornyl acetate (38.3%). Multivariate analysis showed that the compounds borneol and bornyl acetate exerted the greatest influence on the spatial differences in the composition of the reported oils. The antimicrobial activity against five bacterial and one fungal strain was determined using a disk-diffusion assay. The studied essential oil was active only against Gram-positive bacteria. Copyright © 2016 Verlag Helvetica Chimica Acta AG, Zürich.

Annual report, spring 2015. Alternative chemical cleaning methods for high level waste tanks-corrosion test results

Energy Technology Data Exchange (ETDEWEB)

Wyrwas, R. B. [Savannah River Site (SRS), Aiken, SC (United States)

2015-07-06

The testing presented in this report is in support of the investigation of the Alternative Chemical Cleaning program to aid in developing strategies and technologies to chemically clean radioactive High Level Waste tanks prior to tank closure. The data and conclusions presented here were the examination of the corrosion rates of A285 carbon steel and 304L stainless steel when interacted with the chemical cleaning solution composed of 0.18 M nitric acid and 0.5 wt. % oxalic acid. This solution has been proposed as a dissolution solution that would be used to remove the remaining hard heel portion of the sludge in the waste tanks. This solution was combined with the HM and PUREX simulated sludge with dilution ratios that represent the bulk oxalic cleaning process (20:1 ratio, acid solution to simulant) and the cumulative volume associated with multiple acid strikes (50:1 ratio). The testing was conducted over 28 days at 50°C and deployed two methods to invest the corrosion conditions; passive weight loss coupon and an active electrochemical probe were used to collect data on the corrosion rate and material performance. In addition to investigating the chemical cleaning solutions, electrochemical corrosion testing was performed on acidic and basic solutions containing sodium permanganate at room temperature to explore the corrosion impacts if these solutions were to be implemented to retrieve remaining actinides that are currently in the sludge of the tank.

Two-step activation of paper batteries for high power generation: design and fabrication of biofluid- and water-activated paper batteries

Science.gov (United States)

Lee, Ki Bang

2006-11-01

Two-step activation of paper batteries has been successfully demonstrated to provide quick activation and to supply high power to credit card-sized biosystems on a plastic chip. A stack of a magnesium layer (an anode), a fluid guide (absorbent paper), a highly doped filter paper with copper chloride (a cathode) and a copper layer as a current collector is laminated between two transparent plastic films into a high power biofluid- and water-activated battery. The battery is activated by two-step activation: (1) after placing a drop of biofluid/water-based solution on the fluid inlet, the surface tension first drives the fluid to soak the fluid guide; (2) the fluid in the fluid guide then penetrates into the heavily doped filter paper with copper chloride to start the battery reaction. The fabricated half credit card-sized battery was activated by saliva, urine and tap water and delivered a maximum voltage of 1.56 V within 10 s after activation and a maximum power of 15.6 mW. When 10 kΩ and 1 KΩ loads are used, the service time with water, urine and saliva is measured as more than 2 h. An in-series battery of 3 V has been successfully tested to power two LEDs (light emitting diodes) and an electric driving circuit. As such, this high power paper battery could be integrated with on-demand credit card-sized biosystems such as healthcare test kits, biochips, lab-on-a-chip, DNA chips, protein chips or even test chips for water quality checking or chemical checking.

Principles of Pharmacology and Toxicology Also Govern Effects of Chemicals on the Endocrine System

NARCIS (Netherlands)

Autrup, Herman; Barile, Frank A.; Blaauboer, Bas J.; Degen, Gisela H.; Dekant, Wolfgang; Dietrich, Daniel; Domingo, Jose L.; Gori, Gio Batta; Greim, Helmuth; Hengstler, Jan G.; Kacew, Sam; Marquardt, Hans; Pelkonen, Olavi; Savolainen, Kai; Vermeulen, Nico P.

The present debate on chemicals with Hormonal activity, often termed 'endocrine disruptors', is highly controversial and includes challenges of the present paradigms used in toxicology and in hazard identification and risk characterization. In our opinion, chemicals with hormonal activity can be

Principles of Pharmacology and Toxicology Also Govern Effects of Chemicals on the Endocrine System

DEFF Research Database (Denmark)

Autrup, Herman; Barile, Frank A; Blaauboer, Bas J

2015-01-01

The present debate on chemicals with Hormonal activity, often termed 'endocrine disruptors', is highly controversial and includes challenges of the present paradigms used in toxicology and in hazard identification and risk characterization. In our opinion, chemicals with hormonal activity can be ...

Acidity enhances the effectiveness of active chemical defensive secretions of sea hares, Aplysia californica, against spiny lobsters, Panulirus interruptus.

Science.gov (United States)

Shabani, Shkelzen; Yaldiz, Seymanur; Vu, Luan; Derby, Charles D

2007-12-01

Sea hares such as Aplysia californica, gastropod molluscs lacking a protective shell, can release a purple cloud of chemicals when vigorously attacked by predators. This active chemical defense is composed of two glandular secretions, ink and opaline, both of which contain an array of compounds. This secretion defends sea hares against predators such as California spiny lobsters Panulirus interruptus via multiple mechanisms, one of which is phagomimicry, in which secretions containing feeding chemicals attract and distract predators toward the secretion and away from the sea hare. We show here that ink and opaline are highly acidic, both having a pH of approximately 5. We examined if the acidity of ink and opaline affects their phagomimetic properties. We tested behavioral and electrophysiological responses of chemoreceptor neurons in the olfactory and gustatory organs of P. interruptus, to ink and opaline of A. californica within their natural range of pH values, from approximately 5 to 8. Both behavioral and electrophysiological responses to ink and opaline were enhanced at low pH, and low pH alone accounted for most of this effect. Our data suggest that acidity enhances the phagomimetic chemical defense of sea hares.

Single Cell Chemical Cytometry of Akt Activity in Rheumatoid Arthritis and Normal Fibroblast-like Synoviocytes in Response to Tumor Necrosis Factor α.

Science.gov (United States)

Mainz, Emilie R; Serafin, D Stephen; Nguyen, Tuong T; Tarrant, Teresa K; Sims, Christopher E; Allbritton, Nancy L

2016-08-02

The etiology of rheumatoid arthritis (RA) is poorly understood, and 30% of patients are unresponsive to established treatments targeting tumor necrosis factor α (TNFα). Akt kinase is implicated in TNFα signaling and may act as a barometer of patient responses to biologic therapies. Fluorescent peptide sensors and chemical cytometry were employed to directly measure Akt activity as well as proteolytic activity in individual fibroblast-like synoviocytes (FLS) from RA and normal subjects. The specificity of the peptide reporter was evaluated and shown to be a valid measure of Akt activity in single cells. The effect of TNFα treatment on Akt activity was highly heterogeneous between normal and RA subjects, which was not observable in bulk analyses. In 2 RA subjects, a bimodal distribution of Akt activity was observed, primarily due to a subpopulation (21.7%: RA Subject 5; 23.8%: RA Subject 6) of cells in which >60% of the reporter was phosphorylated. These subjects also possessed statistically elevated proteolytic cleavage of the reporter relative to normal subjects, suggesting heterogeneity in Akt and protease activity that may play a role in the RA-affected joint. We expect that chemical cytometry studies pairing peptide reporters with capillary electrophoresis will provide valuable data regarding aberrant kinase activity from small samples of clinical interest.

Comparison of Chemical and Physical-chemical Wastewater Discoloring Methods

Directory of Open Access Journals (Sweden)

Durašević, V.

2007-11-01

Full Text Available Today's chemical and physical-chemical wastewater discoloration methods do not completely meet demands regarding degree of discoloration. In this paper discoloration was performed using Fenton (FeSO4 . 7 H2O + H2O2 + H2SO4 and Fenton-like (FeCl3 . 6 H2O + H2O2 + HCOOH chemical methods and physical-chemical method of coagulation/flocculation (using poly-electrolyte (POEL combining anion active coagulant (modified poly-acrylamides and cationic flocculant (product of nitrogen compounds in combination with adsorption on activated carbon. Suitability of aforementioned methods was investigated on reactive and acid dyes, regarding their most common use in the textile industry. Also, investigations on dyes of different chromogen (anthraquinone, phthalocyanine, azo and xanthene were carried out in order to determine the importance of molecular spatial structure. Oxidative effect of Fenton and Fenton-like reagents resulted in decomposition of colored chromogen and high degree of discoloration. However, the problem is the inability of adding POEL in stechiometrical ratio (also present in physical-chemical methods, when the phenomenon of overdosing coagulants occurs in order to obtain a higher degree of discoloration, creating a potential danger of burdening water with POEL. Input and output water quality was controlled through spectrophotometric measurements and standard biological parameters. In addition, part of the investigations concerned industrial wastewaters obtained from dyeing cotton materials using reactive dye (C. I. Reactive Blue 19, a process that demands the use of vast amounts of electrolytes. Also, investigations of industrial wastewaters was labeled as a crucial step carried out in order to avoid serious misassumptions and false conclusions, which may arise if dyeing processes are only simulated in the laboratory.

75 FR 8575 - Testing of Certain High Production Volume Chemicals; Third Group of Chemicals

Science.gov (United States)

2010-02-25

...: Beilstein Database, CRC Handbook of Chemistry and Physics, Hawley's Condensed Chemical Dictionary, Illustrated Handbooks of Physical- Chemical Properties and Environmental Fate for Organic Chemicals, Merck... Coefficient: Method A (40 CFR 799.6755--shake flask). Method B (ASTM E 1147-92(2005)--liquid chromatography...

Remote-controlling chemical reactions by light: towards chemistry with high spatio-temporal resolution.

Science.gov (United States)

Göstl, Robert; Senf, Antti; Hecht, Stefan

2014-03-21

The foundation of the chemical enterprise has always been the creation of new molecular entities, such as pharmaceuticals or polymeric materials. Over the past decades, this continuing effort of designing compounds with improved properties has been complemented by a strong effort to render their preparation (more) sustainable by implementing atom as well as energy economic strategies. Therefore, synthetic chemistry is typically concerned with making specific bonds and connections in a highly selective and efficient manner. However, to increase the degree of sophistication and expand the scope of our work, we argue that the modern aspiring chemist should in addition be concerned with attaining (better) control over when and where chemical bonds are being made or broken. For this purpose, photoswitchable molecular systems, which allow for external modulation of chemical reactions by light, are being developed and in this review we are covering the current state of the art of this exciting new field. These "remote-controlled synthetic tools" provide a remarkable opportunity to perform chemical transformations with high spatial and temporal resolution and should therefore allow regulating biological processes as well as material and device performance.

Chemical composition and antioxidant activity of jatobá-do-cerrado (Hymenaea stigonocarpa Mart. flour

Directory of Open Access Journals (Sweden)

Cintia Pereira Da Silva

2014-09-01

Full Text Available The Brazilian Savannah, known as "Cerrado," has an extensive biodiversity, but it is under explored. Among the native vegetables is the jatobá-do-cerrado (Hymenaea stigonocarpa Mart., a legume with great potential for exploration for its content of dietary fiber. Legumes are an important source of nutrient compounds, such as phenolic compounds and vitamins that have antioxidant properties. This study aimed at determining the chemical composition and antioxidant activity of the jatobá flour. The jatobá flour showed high fiber content (insoluble and soluble fiber 47.8 and 12.8 g.100 g- 1, respectively, significant amounts of carotenoids such as beta-carotene and lutein, and some minerals such as calcium: 145 mg.100 g- 1, magnesium: 125 mg.100 g- 1, and potassium: 1352 mg.100 g- 1. The jatobá flour extracted with different solvents (water, methanol, and acetone exhibited antioxidant activity by the DPPH, FRAP, and ORAC methods. The solvent used in the extraction affected the total phenolic content and antioxidant activity. Acetone extraction produced the best results. Therefore, the jatobá flour is an ingredient that can be used to develop new products with properties that promote health.

Device and method for enhanced collection and assay of chemicals with high surface area ceramic

Science.gov (United States)

Addleman, Raymond S.; Li, Xiaohong Shari; Chouyyok, Wilaiwan; Cinson, Anthony D.; Bays, John T.; Wallace, Krys

2016-02-16

A method and device for enhanced capture of target analytes is disclosed. This invention relates to collection of chemicals for separations and analysis. More specifically, this invention relates to a solid phase microextraction (SPME) device having better capability for chemical collection and analysis. This includes better physical stability, capacity for chemical collection, flexible surface chemistry and high affinity for target analyte.

High performance supercapacitor from activated carbon derived from waste orange skin

Science.gov (United States)

Ahmed, Sultan; Hussain, S.; Ahmed, Ahsan; Rafat, M.

2018-05-01

Activated carbon due to its inherent properties such as large surface area and low cost is most frequently used electrode material for supercapacitor. Activated carbon has been previously derived from various biomass such as coconut shell, coffee bean etc. Herein, we report the synthesis of activated carbon from waste orange skin. The material was synthesized employing chemical activation method and the success of synthesis was confirmed by its physical and electrochemical properties. The physical properties of the as-prepared sample were studied using the techniques of XRD, SEM, Raman spectroscopy and N2 adsorption/desorption analysis while its electrochemical properties were studied in two-electrode assembly using liquid electrolyte (consisting of 1 M solution of LiTFSI dispersed in ionic liquid EMITFSI) and employing the techniques of cyclic voltammetry, electrochemical impedance spectroscopy and galvanostatic charge- discharge. The synthesized sample of activated carbon exhibits high specific capacitance of 115 F g-1 at 10 mV s-1. Also, the activated carbon electrode shows the retention of ˜75% in initial capacitance value for more than 2000 initial cycles, indicating the as-prepared activated carbon can be profitably used as electrode material for energy storage devices.

Salacia crassifolia (Celastraceae: CHEMICAL CONSTITUENTS AND ANTIMICROBIAL ACTIVITY

Directory of Open Access Journals (Sweden)

Vanessa G. Rodrigues

2015-02-01

Full Text Available The phytochemical study of hexane extract from leaves of Salacia crassifolia resulted in the isolation of 3β-palmitoxy-urs-12-ene, 3-oxofriedelane, 3β-hydroxyfriedelane, 3-oxo-28-hydroxyfriedelane, 3-oxo-29-hydroxyfriedelane, 28,29-dihydroxyfriedelan-3-one, 3,4-seco-friedelan-3-oic acid, 3β-hydroxy-olean-9(11:12-diene and the mixture of α-amirin and β-amirin. β-sitosterol, the polymer gutta-percha, squalene and eicosanoic acid were also isolated. The chemical structures of these constituents were established by IR, 1H and 13C NMR spectral data. Crude extracts and the triterpenes were tested against Entamoeba histolytica, Giardia lamblia and Trichomonas vaginalis and no activity was observed under the in vitro assay conditions. The hexane, chloroform, ethyl acetate and ethanol crude extracts, and the constituent 3,4-seco-friedelan-3-oic acid and 28,29-dihydroxyfriedelan-3-one showed in vitro antimicrobial activity against Salmonella typhimurium, Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, Bacillus cereus, Listeria monocytogenes, Streptococcus sanguinis and Candida albicans.

Chemical Stability Analysis of Hair Cleansing Conditioners under High-Heat Conditions Experienced during Hair Styling Processes

Directory of Open Access Journals (Sweden)

Derek A. Drechsel

2018-03-01

Full Text Available Chemical stability is a key component of ensuring that a cosmetic product is safe for consumer use. The objective of this study was to evaluate the chemical stability of commercially available hair cleansing conditioners subjected to high heat stresses from the styling processes of blow drying or straightening. Two hair cleansing conditioners were subjected to temperatures of 60 °C and 185 °C to simulate the use of a blow dryer or flatiron hair straightener, respectively and analyzed via Gas Chromatography-Mass Spectrometry (GC-MS, High-Performance Liquid Chromatography-UV (HPLC and Fourier-Transform Infrared Spectroscopy (FT-IR to capture a chemical profile of the samples. The resulting spectra from matched heated and unheated samples were compared to identify any changes in chemical composition. Overall, no differences in the spectra were observed between the heated and unheated samples at both temperatures evaluated. Specifically, no new peaks were observed during analysis, indicating that no degradation products were formed. In addition, all chemicals identified during GC-MS analysis were known listed ingredients of the products. In summary, no measurable changes in chemical composition were observed in the hair cleansing conditioner samples under high-heat stress conditions. The presented analytical methods can serve as an initial screening tool to evaluate the chemical stability of a cosmetic product under conditions of anticipated use.

Caged Garcinia Xanthones, a Novel Chemical Scaffold with Potent Antimalarial Activity.

Science.gov (United States)

Ke, Hangjun; Morrisey, Joanne M; Qu, Shiwei; Chantarasriwong, Oraphin; Mather, Michael W; Theodorakis, Emmanuel A; Vaidya, Akhil B

2017-01-01

Caged Garcinia xanthones (CGXs) constitute a family of natural products that are produced by tropical/subtropical trees of the genus Garcinia CGXs have a unique chemical architecture, defined by the presence of a caged scaffold at the C ring of a xanthone moiety, and exhibit a broad range of biological activities. Here we show that synthetic CGXs exhibit antimalarial activity against Plasmodium falciparum, the causative parasite of human malaria, at the intraerythrocytic stages. Their activity can be substantially improved by attaching a triphenylphosphonium group at the A ring of the caged xanthone. Specifically, CR135 and CR142 were found to be highly effective antimalarial inhibitors, with 50% effective concentrations as low as ∼10 nM. CGXs affect malaria parasites at multiple intraerythrocytic stages, with mature stages (trophozoites and schizonts) being more vulnerable than immature rings. Within hours of CGX treatment, malaria parasites display distinct morphological changes, significant reduction of parasitemia (the percentage of infected red blood cells), and aberrant mitochondrial fragmentation. CGXs do not, however, target the mitochondrial electron transport chain, the target of the drug atovaquone and several preclinical candidates. CGXs are cytotoxic to human HEK293 cells at the low micromolar level, which results in a therapeutic window of around 150-fold for the lead compounds. In summary, we show that CGXs are potent antimalarial compounds with structures distinct from those of previously reported antimalarial inhibitors. Our results highlight the potential to further develop Garcinia natural product derivatives as novel antimalarial agents. Copyright © 2016 American Society for Microbiology.

Chemical Composition and Antifungal Activity of Ocimum basilicum L. Essential Oil

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Neveen Helmy Abou El-Soud

2015-07-01

Full Text Available BACKGROUND: The leaves of Ocimum basilicum L. (basil are used in traditional cuisine as spices; its essential oil has found a wide application in perfumery, dental products as well as antifungal agents. AIM: To assess the chemical composition as well as the in vitro antifungal activity of O. basilicum L. essential oil against Aspergillus flavus fungal growth and aflatoxin B1 production. MATERIAL AND METHODS: The essential oil of O. basilicum was obtained by hydrodistillation and analysed using gas chromatography (GC and GC coupled with mass spectrometry (GC/MS. The essential oil was tested for its effects on Aspergillus flavus (A. flavus mycelial growth and aflatoxin B1 production in Yeast Extract Sucrose (YES growth media. Aflatoxin B1 production was determined by high performance liquid chromatography (HPLC. RESULTS: Nineteen compounds, representing 96.7% of the total oil were identified. The main components were as follows: linalool (48.4%, 1,8-cineol (12.2%, eugenol (6.6%, methyl cinnamate (6.2%, α-cubebene (5.7%, caryophyllene (2.5%, β-ocimene (2.1% and α-farnesene (2.0%.The tested oil showed significant antifungal activity that was dependent on the used oil concentration. The complete inhibition of A. flavus growth was observed at 1000 ppm oil concentration, while marked inhibition of aflatoxin B1 production was observed at all oil concentrations tested (500, 750 and 1000 ppm. CONCLUSION: These results confirm the antifungal activities of O. basilicum L. oil and its potential use to cure mycotic infections and act as pharmaceutical preservative against A. flavus growth and aflatoxin B1 production.

Highly n-Type Titanium Oxide as an Electronically Active Support for Platinum in the Catalytic Oxidation of Carbon Monoxide

KAUST Repository

Baker, L. Robert

2011-08-18

The role of the oxide-metal interface in determining the activity and selectivity of chemical reactions catalyzed by metal particles on an oxide support is an important topic in science and industry. A proposed mechanism for this strong metal-support interaction is electronic activation of surface adsorbates by charge carriers. Motivated by the goal of using electronic activation to drive nonthermal chemistry, we investigated the ability of the oxide support to mediate charge transfer. We report an approximately 2-fold increase in the turnover rate of catalytic carbon monoxide oxidation on platinum nanoparticles supported on stoichiometric titanium dioxide (TiO2) when the TiO2 is made highly n-type by fluorine (F) doping. However, for nonstoichiometric titanium oxide (TiOX<2) the effect of F on the turnover rate is negligible. Studies of the titanium oxide electronic structure show that the energy of free electrons in the oxide determines the rate of reaction. These results suggest that highly n-type TiO2 electronically activates adsorbed oxygen (O) by electron spillover to form an active O- intermediate. © 2011 American Chemical Society.

Recovery of microbial diversity and activity during bioremediation following chemical oxidation of diesel contaminated soils.

Science.gov (United States)

Sutton, Nora B; Langenhoff, Alette A M; Lasso, Daniel Hidalgo; van der Zaan, Bas; van Gaans, Pauline; Maphosa, Farai; Smidt, Hauke; Grotenhuis, Tim; Rijnaarts, Huub H M

2014-03-01

To improve the coupling of in situ chemical oxidation and in situ bioremediation, a systematic analysis was performed of the effect of chemical oxidation with Fenton's reagent, modified Fenton's reagent, permanganate, or persulfate, on microbial diversity and activity during 8 weeks of incubation in two diesel-contaminated soils (peat and fill). Chemical oxidant and soil type affected the microbial community diversity and biodegradation activity; however, this was only observed following treatment with Fenton's reagent and modified Fenton's reagent, and in the biotic control without oxidation. Differences in the highest overall removal efficiencies of 69 % for peat (biotic control) and 59 % for fill (Fenton's reagent) were partially explained by changes in contaminant soil properties upon oxidation. Molecular analysis of 16S rRNA and alkane monooxygenase (alkB) gene abundances indicated that oxidation with Fenton's reagent and modified Fenton's reagent negatively affected microbial abundance. However, regeneration occurred, and final relative alkB abundances were 1-2 orders of magnitude higher in chemically treated microcosms than in the biotic control. 16S rRNA gene fragment fingerprinting with DGGE and prominent band sequencing illuminated microbial community composition and diversity differences between treatments and identified a variety of phylotypes within Alpha-, Beta-, and Gammaproteobacteria. Understanding microbial community dynamics during coupled chemical oxidation and bioremediation is integral to improved biphasic field application.

Implementation of high-dose chemical dosimetry for industrial facilities

International Nuclear Information System (INIS)

Conceicao, Cirilo Cezar Sant'Anna da

2006-01-01

The purpose of this work is the implementation of methodology for high dose measurements using chemical dosimeters in liquid phase, traceable to the international metrology system, and make available in the country, the standard of high-dose to industrial irradiation facilities and research irradiators, trough the quality program with comparative measurements and direct use of the standard dosimeters in routine. The use of these low cost dosimetry systems in industrial irradiation facilities, assists to the certification requirements and it can reduce the costs with dosimetry for approximately 20% of the total dosimetry costs, using these systems in routine measurements and validation process, largely substituting the imported PMMA dosimeters, among others. (author)

Chemical contents in Lygeum spartum L. using instrumental neutron activation analysis

International Nuclear Information System (INIS)

Nedjimi, Bouzid

2015-01-01

The present investigation was conducted to determine the chemical contents of Lygeum spartum L. (Poaceae). Samples were analyzed in order to determine essential (Ca, K, Na, Fe, Co) and some potentially toxic elements (Eu, Sb, Tb) using instrumental neutron activation analysis (INAA). In general chemical element contents were in substantial amounts to meet adult sheep requirements. Potential intake of Ca, K, Zn, Co and Fe by ruminant weighing 50 kg BW consuming 2.0 kg per day DM was sufficient to satisfy their requirements. However, only Na level was still insufficient to meet the requirements for grazing ruminants. Potential toxic elements in this species were within the safety baseline of all the assayed elements recommended by NRC. Na supplementation would seem to be necessary in this zone, for optimum productivity of grazing animals.

Evolution of the chemical bonding nature and electrode activity of indium selenide upon the composite formation with graphene nanosheets

International Nuclear Information System (INIS)

Oh, Seung Mi; Lee, Eunsil; Adpakpang, Kanyaporn; Patil, Sharad B.; Park, Mi Jin; Lim, Young Soo; Lee, Kyu Hyoung; Kim, Jong-Young; Hwang, Seong-Ju

2015-01-01

Graphical abstract: Display Omitted -- Highlights: • In 4 Se 2.85 @graphene nanocomposite is easily prepared by high energy mechanical milling process. • The bond covalency of In 4 Se 2.85 is notably changed upon the composite formation with graphene. • In 4 Se 2.85 @graphene nanocomposite shows promising anode performance for lithium ion battery. -- Abstract: Evolution of the chemical bonding nature and electrochemical activity of indium selenide upon the composite formation with carbon species is systematically investigated. Nanocomposites of In 4 Se 2.85 @graphene and In 4 Se 2.85 @carbon-black are synthesized via a solid state reaction between In and Se elements, and the following high energy mechanical milling of In 4 Se 2.85 with graphene and carbon-black, respectively. The high energy mechanical milling (HEMM) of In 4 Se 2.85 with carbon species gives rise to a decrease of particle size with a significant depression of the crystallinity of In 4 Se 2.85 phase. In contrast to the composite formation with carbon-black, that with graphene induces a notable decrease of (In−Se) bond covalency, underscoring significant chemical interaction between graphene and In 4 Se 2.85 . Both the nanocomposites of In 4 Se 2.85 @graphene and In 4 Se 2.85 @carbon-black show much better anode performance for lithium ion batteries with larger discharge capacity and better cyclability than does the pristine In 4 Se 2.85 material, indicating the beneficial effect of composite formation on the electrochemical activity of indium selenide. Between the present nanocomposites, the electrode performance of the In 4 Se 2.85 @graphene nanocomposite is superior to that of the In 4 Se 2.85 @carbon-black nanocomposite, which is attributable to the weakening of (In−Se) bonds upon the composite formation with graphene as well as to the better mixing between In 4 Se 2.85 and graphene. The present study clearly demonstrates that the composite formation with graphene has strong influence

Thermally activated reaction–diffusion-controlled chemical bulk reactions of gases and solids

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S. Möller

2015-01-01

Full Text Available The chemical kinetics of the reaction of thin films with reactive gases is investigated. The removal of thin films using thermally activated solid–gas to gas reactions is a method to in-situ control deposition inventory in vacuum and plasma vessels. Significant scatter of experimental deposit removal rates at apparently similar conditions was observed in the past, highlighting the need for understanding the underlying processes. A model based on the presence of reactive gas in the films bulk and chemical kinetics is presented. The model describes the diffusion of reactive gas into the film and its chemical interaction with film constituents in the bulk using a stationary reaction–diffusion equation. This yields the reactive gas concentration and reaction rates. Diffusion and reaction rate limitations are depicted in parameter studies. Comparison with literature data on tokamak co-deposit removal results in good agreement of removal rates as a function of pressure, film thickness and temperature.

High-performance macroporous bulk silicon anodes synthesized by template-free chemical etching

Energy Technology Data Exchange (ETDEWEB)

Bang, Byoung Man; Lee, Jung-In; Kim, Hyunjung; Cho, Jaephil; Park, Soojin [Interdisciplinary School of Green Energy, Ulsan National Institute of Science and Technology (UNIST), Ulsan (Korea, Republic of)

2012-07-15

Three-dimensional porous silicon particles can be produced via the combination of a galvanic displacement reaction and a metal-assisted chemical etching process. This simple synthetic route can be applied to make high-performance anode materials, including high specific capacity, stable cycling retention, and high rate capability, in lithium-ion batteries. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Chemical reaction due to stronger Ramachandran interaction

Indian Academy of Sciences (India)

The origin of a chemical reaction between two reactant atoms is associated with the activation energy, on the assumption that, high-energy collisions between these atoms, are the ones that overcome the activation energy. Here, we show that a stronger attractive van der Waals (vdW) and electron-ion Coulomb interactions ...

High-Throughput Screening of Chemical Effects on Steroidogenesis Using H295R Human Adrenocortical Carcinoma Cells.

Science.gov (United States)

Karmaus, Agnes L; Toole, Colleen M; Filer, Dayne L; Lewis, Kenneth C; Martin, Matthew T

2016-04-01

Disruption of steroidogenesis by environmental chemicals can result in altered hormone levels causing adverse reproductive and developmental effects. A high-throughput assay using H295R human adrenocortical carcinoma cells was used to evaluate the effect of 2060 chemical samples on steroidogenesis via high-performance liquid chromatography followed by tandem mass spectrometry quantification of 10 steroid hormones, including progestagens, glucocorticoids, androgens, and estrogens. The study employed a 3 stage screening strategy. The first stage established the maximum tolerated concentration (MTC; ≥ 70% viability) per sample. The second stage quantified changes in hormone levels at the MTC whereas the third stage performed concentration-response (CR) on a subset of samples. At all stages, cells were prestimulated with 10 µM forskolin for 48 h to induce steroidogenesis followed by chemical treatment for 48 h. Of the 2060 chemical samples evaluated, 524 samples were selected for 6-point CR screening, based in part on significantly altering at least 4 hormones at the MTC. CR screening identified 232 chemical samples with concentration-dependent effects on 17β-estradiol and/or testosterone, with 411 chemical samples showing an effect on at least one hormone across the steroidogenesis pathway. Clustering of the concentration-dependent chemical-mediated steroid hormone effects grouped chemical samples into 5 distinct profiles generally representing putative mechanisms of action, including CYP17A1 and HSD3B inhibition. A distinct pattern was observed between imidazole and triazole fungicides suggesting potentially distinct mechanisms of action. From a chemical testing and prioritization perspective, this assay platform provides a robust model for high-throughput screening of chemicals for effects on steroidogenesis. © The Author 2016. Published by Oxford University Press on behalf of the Society of Toxicology.

The ground water chemical characteristics of Beishan area-the China's potential high level radioactive waste repository

International Nuclear Information System (INIS)

Yang Tianxiao; Guo Yonghai

2004-01-01

The ground water chemical characteristics have impact on nuclide migration in high level waste repository, so the study on the ground water chemical characteristics is an important aspect in site screening and characterization. The geochemical modeling of the reaction trend between ground water and solid phase, the water-rock interaction modeling of the formation and evolution of ground water chemistry, the modeling of the reaction between ground water and nuclear waste are all carried out in this paper to study the ground water chemical characteristics in Beishan area. The study illustrates that the ground water chemical characteristics in Beishan area is favorable to the disposal of high level nuclear waste and to prevent the nuclides migration. (author)

Cell lysis and superoxide dismutase activities of highly radioresistant bacteria

Energy Technology Data Exchange (ETDEWEB)

Yoshinaka, T; Yano, K; Yamaguchi, H [Tokyo Univ. (Japan). Faculty of Agriculture

1976-01-01

The highly radioresistant bacterium, Arthrobacter radiotolerans, has been isolated from the radioactive hot spring of Misasa, and it does not sporulate, it is Gram-positive, and its color is pink to red. This bacterium shows the highest resistance to gamma-ray among Gram-positive resistants, but the lytic enzyme capable of lysing the cells of strong radioresistants and the surface structure of the cells are little known except those about Micrococcus radiodurans. The cells of the M. radiodurans can be lysed by Achramobacter lyticus enzyme, and electron microscopic observation and chemical analysis revealed the mutilayered surface structure of the cells consisting of an inner membrane, a mucopeptide wall layer and a very outer layer. The superoxide dismutase (SOD) activity of aerobic and anaerobic bacteria was studied, and the relatively high SOD activity of the M. radiodurans was found. The SOD function acts against the threat posed by the reactive superoxide radical being generated biologically, photochemically and radiochemically in the presence of molecular oxygen. In this paper, it is reported that the lytic enzyme No.2 obtained from Cytophaga sp., containing N-acetyl-muramyl-L-alanine amidase, peptidase and endopeptidase, and showing broad lytic spectra, was able to lyse the cells of A. radiotolerans and four radioresistant micrococci, and the radioresistant bacteria showedrelatively high SOD activity except M. sp. 248. It is well known that superoxide anions are generated by aerobic irradiation, and are toxic to microbial cells.

Cell lysis and superoxide dismutase activities of highly radioresistant bacteria

International Nuclear Information System (INIS)

Yoshinaka, Taeko; Yano, Keiji; Yamaguchi, Hikoyuki

1976-01-01

The highly radioresistant bacterium, Arthrobacter radiotolerans, has been isolated from the radioactive hot spring of Misasa, and it does not sporulate, it is Gram-positive, and its color is pink to red. This bacterium shows the highest resistance to gamma-ray among Gram-positive resistants, but the lytic enzyme capable of lysing the cells of strong radioresistants and the surface structure of the cells are little known except those about Micrococcus radiodurans. The cells of the M. radiodurans can be lysed by Achramobacter lyticus enzyme, and electron microscopic observation and chemical analysis revealed the mutilayered surface structure of the cells consisting of an inner membrane, a mucopeptide wall layer and a very outer layer. The superoxide dismutase (SOD) activity of aerobic and anaerobic bacteria was studied, and the relatively high SOD activity of the M. radiodurans was found. The SOD function acts against the threat posed by the reactive superoxide radical being generated biologically, photochemically and radiochemically in the presence of molecular oxygen. In this paper, it is reported that the lytic enzyme No.2 obtained from Cytophaga sp., containing N-acetyl-muramyl-L-alanine amidase, peptidase and endopeptidase, and showing broad lytic spectra, was able to lyse the cells of A. radiotolerans and four radioresistant micrococci, and the radioresistant bacteria showed relatively high SOD activity except M. sp. 248. It is well known that superoxide anions are generated by aerobic irradiation, and are toxic to microbial cells. (Kako, I.)

Structural analysis and biological activity of a highly regular glycosaminoglycan from Achatina fulica.

Science.gov (United States)

Liu, Jie; Zhou, Lutan; He, Zhicheng; Gao, Na; Shang, Feineng; Xu, Jianping; Li, Zi; Yang, Zengming; Wu, Mingyi; Zhao, Jinhua

2018-02-01

Edible snails have been widely used as a health food and medicine in many countries. A unique glycosaminoglycan (AF-GAG) was purified from Achatina fulica. Its structure was analyzed and characterized by chemical and instrumental methods, such as Fourier transform infrared spectroscopy, analysis of monosaccharide composition, and 1D/2D nuclear magnetic resonance spectroscopy. Chemical composition analysis indicated that AF-GAG is composed of iduronic acid (IdoA) and N-acetyl-glucosamine (GlcNAc) and its average molecular weight is 118kDa. Structural analysis clarified that the uronic acid unit in glycosaminoglycan (GAG) is the fully epimerized and the sequence of AF-GAG is →4)-α-GlcNAc (1→4)-α-IdoA2S (1→. Although its structure with a uniform repeating disaccharide is similar to those of heparin and heparan sulfate, this GAG is structurally highly regular and homogeneous. Anticoagulant activity assays indicated that AF-GAG exhibits no anticoagulant activities, but considering its structural characteristic, other bioactivities such as heparanase inhibition may be worthy of further study. Copyright © 2017 Elsevier Ltd. All rights reserved.

Characterization of mesoporous carbon prepared from date stems by H3PO4 chemical activation

International Nuclear Information System (INIS)

Hadoun, H.; Sadaoui, Z.; Souami, N.; Sahel, D.; Toumert, I.

2013-01-01

The present work was focused on the determination of texture, morphology, crystanillity and oxygenated surface groups characteristics of an activated carbon prepared from date stems. Chemical activation of this precursor at different temperatures (450, 550 and 650 °C) was adopted using phosphoric acid as dehydrating agent at (2/1) impregnation ratio. Fourier transform infrared spectroscopy study was carried out to identify surface groups in date stems activated carbons. The microscopic structure was examined by nitrogen adsorption at 77 K. The interlayer spacing (d 200 and d 100 ), stack height (L c ), stack width (L a ) and effective dimension L of the turbostratic crystallites (microcrystallite) in the date stems activated carbons were estimated from X-ray diffraction data (XRD). Results yielded a surface area, S BET , and total pore volume of 682, 1455, 1319 m 2 /g and 0,343, 1,045 and 0.735 cm 3 /g, for the carbon prepared at 450, 550 and 650 °C, respectively. Scanning electron microscopy exhibits a highly developed porosity which is in good agreement with the porous texture derived from gas adsorption data and these results confirm that the activated carbon is dominated by network of slit-shaped mesopores morphology and in some cases by varied micropores morphologies.

Chemical composition and antioxidant activity of two strawberry cultivars

Directory of Open Access Journals (Sweden)

Đilas Sonja M.

2011-01-01

Full Text Available The macro- and micro-chemical composition, as well as antioxidant activity of two strawberry cultivars, Marmolada and Clery, were studied. Results showed a noticeable difference in the sugar, protein and pectin contents. Clery had 6.92% and Marmolada 4.93% of total sugar. Also, protein and pectin contents were higher in the Clery cultivar. No significant difference was observed in acidity, as well as in ash and cellulose content. Marmolada had a higher content of total phenolics and flavonoids (228.04 mg GAE /100 g FW and 136.01 mg RE/100 g FW, respectively . The anthocyanins content in Marmolada (32.0 mg CGE/100 g FW was slightly lower than in Clery (36.0 mg CGE/100 g FW. The antioxidant activity was evaluated spectrophotometrically, using 2,2-diphenyl- 1-picrylhydrazyl (DPPH radical scavenging activity assay. The DPPH free radical scavenging activity, expressed as EC50 value, of Marmolada (0.77 mg/ml was higher than of Clery (0.83 mg/ml. There was a significant positive correlation (R2>0.90 between the concentration of phenolics/flavonoids/anthocyanins and DPPH radical scavenging activity of both strawberry cultivars. These results also showed that the antioxidant value of 100 g FW Marmolada and Clery is equivalent to 237.91 mg and 219.01 mg of vitamin C, respectively.

Fenton-Driven Chemical Regeneration of MTBE-Spent Granular Activated Carbon -- A Pilot Study

Science.gov (United States)

MTBE-spent granular activated carbon (GAC) underwent 3 adsorption/oxidation cycles. Pilot-scale columns were intermittently placed on-line at a ground water pump and treat facility, saturated with MTBE, and regenerated with H2O2 under different chemical, physical, and operational...

Determination of chemical composition, total phenolic content and antioxidant activity of xylanthemum macropodum

International Nuclear Information System (INIS)

Samiullah, A.; Tareen, R.B.; Khan, N.; Akber, A.; Ali, I.; Khan, A.K.

2017-01-01

Evaluation of the phytochemistry, total phenolic content and antioxidant activity of the endemic plant of northern Balochistan Xylanthemum Macropodum of the Asteraceae family, is reported for the first time in this document. Chemical composition of Xylanthemum Macropodum was determined using well-established chemical tests and modern spectroscopic techniques. Extracts were taken from the whole plant using methanol and the extracts were tested for phytochemicals (secondary metabolites), total phenolic content (TPC) and antioxidant activity. The phytochemical (biochemical) examination of Xylanthemum Macropodum exposed the presence of alkaloids, phenols, steroids, flavonoids, tannins, terpenoids, saponins, coumarins, carbohydrates, cardiac glycosides, reducing sugars, and quinines. TPC of crude methanolic extract (CME) of plant was determined using Folin-Ciocalteu's reagent. The TPC determined was 256mg of tannic acid Eq/g of extract. Antioxidant activities were determined spectrophotometrically using the DPPH assay and Ferric ion (Fe/sup +3/) reducing antioxidant power assay. The potency of the DPPH assay of Xylanthemum Macropodum extract was 68% for the 0.10 mg/ml concentration and the FRAP value of the extract was 3.368 mmol Fe/sup +2//g of extract. Xylanthemum Macropodum has proved to be very rich in secondary metabolites, natural phenolics and has a very potent antioxidant activity. (author)

Coupling of physical erosion and chemical weathering after phases of intense human activity

Science.gov (United States)

Schoonejans, Jerome; Vanacker, Veerle; Opfergelt, Sophie; Ameijeiras-Mariño, Yolanda; Kubik, Peter W.

2014-05-01

with long-term 10Be derived denudation rates, and tectonic uplift rates. Our data do not provide direct evidence of an imbalance between soil production and chemical weathering, despite more than 2000 years of intense human activity.

Metal-Organic Frameworks as Highly Active Electrocatalysts for High-Energy Density, Aqueous Zinc-Polyiodide Redox Flow Batteries.

Science.gov (United States)

Li, Bin; Liu, Jian; Nie, Zimin; Wang, Wei; Reed, David; Liu, Jun; McGrail, Pete; Sprenkle, Vincent

2016-07-13

The new aqueous zinc-polyiodide redox flow battery (RFB) system with highly soluble active materials as well as ambipolar and bifunctional designs demonstrated significantly enhanced energy density, which shows great potential to reduce RFB cost. However, the poor kinetic reversibility and electrochemical activity of the redox reaction of I3(-)/I(-) couples on graphite felts (GFs) electrode can result in low energy efficiency. Two nanoporous metal-organic frameworks (MOFs), MIL-125-NH2 and UiO-66-CH3, that have high surface areas when introduced to GF surfaces accelerated the I3(-)/I(-) redox reaction. The flow cell with MOF-modified GFs serving as a positive electrode showed higher energy efficiency than the pristine GFs; increases of about 6.4% and 2.7% occurred at the current density of 30 mA/cm(2) for MIL-125-NH2 and UiO-66-CH3, respectively. Moreover, UiO-66-CH3 is more promising due to its excellent chemical stability in the weakly acidic electrolyte. This letter highlights a way for MOFs to be used in the field of RFBs.

Development of an Instrument to Evaluate High School Students' Chemical Symbol Representation Abilities

Science.gov (United States)

Wang, Zuhao; Chi, Shaohui; Luo, Ma; Yang, Yuqin; Huang, Min

2017-01-01

Chemical symbol representation is a medium for transformations between the actual phenomena of the macroscopic world and those of the sub-microscopic world. The aim of this study is to develop an instrument to evaluate high school students' chemical symbol representation abilities (CSRA). Based on the current literature, we defined CSRA and…

Comparison of radiation and chemical risks

International Nuclear Information System (INIS)

Bengtsson, G.

1988-01-01

Injury to living cells is caused by mechanisms which in many cases are similar for radiation and chemicals. It is thus not surprising that radiation and many chemicals can cause similar biological effects, e.g. cancer, fetal injury and hereditary disease. Both radiation and chemicals are always found in our environment. One agent may strengthen or weaken the effect of another, be it radiation in combination with chemicals or one chemical with another. The implications of such synergistic or antagonistic effects are discussed. Intricate mechanisms help the body to defend itself against threats to health from radiation and chemicals, even against cancer risks. In a strategy for health, it might be worth to exploit actively these defense mechanisms, in parallel with decreasing the exposures. On particular interest are the large exposures from commonly known sources such as smoking, sun tanning and high fat contents of food. (author)

Chemical Composition and Biological Activities of Mono- and Heterofloral Bee Pollen of Different Geographical Origins

Directory of Open Access Journals (Sweden)

Jucilene Silva Araújo

2017-04-01

Full Text Available Recent research shows variations in pollen chemical constituents and, consequently, in their therapeutic properties. Mono and multifloral bee pollen extracts were investigated for antioxidant and enzyme inhibitory activity properties, phenolic compounds and fatty acid composition. Generally, Eucalyptus spp. and multifloral extracts exhibited potent inhibitory activity against α-amylase, acetylcholinesterase, tyrosinase, lipoxygenase, lipase and hyaluronidase. On the other hand, Miconia spp. demonstrated higher antihemolytic activity. Cocos nucifera and Miconia spp. extracts exhibited important antioxidant properties in the different assays (ABTS, DPPH, β-carotene/linoleic acid and reducing power. Moreover, these extracts had greater amounts of total phenols and flavonoids in comparison to others. The increase in antioxidant activity (decrease in EC50 values was accompanied by an increase in the amount of total phenols in the extracts. The pollen extracts contained linoleic acid and α-linolenic acid as major fatty acids, followed by palmitic acid, and oleic acid. In this study, differences were observed in both chemical constituents and biological activities of the samples related to the geographical and botanical origin of bee pollen.

Wide gap active brazing of ceramic-to-metal-joints for high temperature applications

Science.gov (United States)

Bobzin, K.; Zhao, L.; Kopp, N.; Samadian Anavar, S.

2014-03-01

Applications like solid oxide fuel cells and sensors increasingly demand the possibility to braze ceramics to metals with a good resistance to high temperatures and oxidative atmospheres. Commonly used silver based active filler metals cannot fulfill these requirements, if application temperatures higher than 600°C occur. Au and Pd based active fillers are too expensive for many fields of use. As one possible solution nickel based active fillers were developed. Due to the high brazing temperatures and the low ductility of nickel based filler metals, the modification of standard nickel based filler metals were necessary to meet the requirements of above mentioned applications. To reduce thermally induced stresses wide brazing gaps and the addition of Al2O3 and WC particles to the filler metal were applied. In this study, the microstructure of the brazed joints and the thermo-chemical reactions between filler metal, active elements and WC particles were analyzed to understand the mechanism of the so called wide gap active brazing process. With regard to the behavior in typical application oxidation and thermal cycle tests were conducted as well as tensile tests.

Anticholinesterase activity and chemical profile of an active chromatographic fraction of ethanolic extract from Bellis perennis L. (Asteraceae) flowers

International Nuclear Information System (INIS)

Marques, Thiago Henrique Costa; Santos, Pauline Sousa dos; Freitas, Rivelilson Mendes de; Carvalho, Rusbene Bruno Fonseca de; Melo, Cassio Herbert Santos de; David, Juceni Pereira; David, Jorge Mauricio; Lima, Luciano Silva

2013-01-01

This work describes the isolation of an active flavonoid fraction and identification of isorhamnetin 3-O-β-D-(6’’-acetyl)- alactopyranoside from flowers of B. perennis, and also the evaluation of anticholinesterase (AChE) activity of ethanolic extract from flowers (EEF) and the active fraction. The chemical structure of the flavonoid was defined on the basis of spectroscopic 1 H NMR, IR and UV data. EEF or flavonoid reduces AChE activity in vivo, while flavonoid also reduces AChE activity in vitro, showing a value of 1.49 μM for 50% inhibitory concentration (IC 50 ), suggesting potential use as an insecticide or in the treatment of neurodegenerative diseases such as Alzheimer’s disease. (author)

Flute type micropores activated carbon from cotton stalk for high performance supercapacitors

Science.gov (United States)