Bio-active nanocomposite films based on nanocrystalline cellulose reinforced styrylquinoxalin-grafted-chitosan: Antibacterial and mechanical properties.

Science.gov (United States)

Fardioui, Meriem; Meftah Kadmiri, Issam; Qaiss, Abou El Kacem; Bouhfid, Rachid

2018-07-15

In this study, active nanocomposite films based on cellulose nanocrystalline (NCC) reinforced styrylquinoxalin-grafted-chitosan are prepared by solvent-casting process. The structures of the two styrylquinoxaline derivatives were confirmed by FT-IR, 1 H, 13 C NMR spectral data and the study of the antibacterial activity against Escherichia coli (EC), Staphylococcus aureus (SA), Bacillus subtilis (BS) and Pseudomonas Aeruginosa (PA) exhibits that they have a good antibacterial activity against (PA). On their side, the styrylquinoxalin-g-chitosan films are able to inhibit the growth of (PA) through their contact area without being damaged by the antibacterial test conditions. The addition of 5wt% of NCCs as nano-reinforcements revealed no change at the level of antibacterial activity but led to an important improvement of the mechanical properties (more than 60% and 90% improvement in Young's modulus and tensile strength, respectively) of the modified-chitosan films. Thereby, the present nanocomposite films are prepared by a simple way and featured by good mechanical and antibacterial properties which enhance the possibility to use them as bio-based products for biomedical and food packaging. Copyright © 2018 Elsevier B.V. All rights reserved.

Study of hydrodeoxygenation of bio-oil from the fast pyrolysis of biomass

Energy Technology Data Exchange (ETDEWEB)

Su-ping, Z. [ECUST, Shanghai (China). Dept. of Chemical Engineering for Energy Resources

2003-01-01

The bio-oil obtained from the fast pyrolysis of biomass has a high oxygen content. Ketones and aldehydes, carboxylic acids and esters, aliphatic and aromatic alcohols, and ethers have been detected in significant quantities. Because of the reactivity of oxygenated groups, the main problems of the oil are instability. Therefore study of the deoxygenation of bio-oil is needed. In the present work the mechanism of hydrodeoxygenation (HDO) of bio-oil in the presence of a cobalt molybdate catalyst was studied. Particularly, the effects of reaction time, temperature, and hydrogen pressure on the HDO activity were examined. On the experimental results, a kinetic model for HDO of bio-oil was proposed. (author)

Bio-oil from fast pyrolysis of lignin: Effects of process and upgrading parameters.

Science.gov (United States)

Fan, Liangliang; Zhang, Yaning; Liu, Shiyu; Zhou, Nan; Chen, Paul; Cheng, Yanling; Addy, Min; Lu, Qian; Omar, Muhammad Mubashar; Liu, Yuhuan; Wang, Yunpu; Dai, Leilei; Anderson, Erik; Peng, Peng; Lei, Hanwu; Ruan, Roger

2017-10-01

Effects of process parameters on the yield and chemical profile of bio-oil from fast pyrolysis of lignin and the processes for lignin-derived bio-oil upgrading were reviewed. Various process parameters including pyrolysis temperature, reactor types, lignin characteristics, residence time, and feeding rate were discussed and the optimal parameter conditions for improved bio-oil yield and quality were concluded. In terms of lignin-derived bio-oil upgrading, three routes including pretreatment of lignin, catalytic upgrading, and co-pyrolysis of hydrogen-rich materials have been investigated. Zeolite cracking and hydrodeoxygenation (HDO) treatment are two main methods for catalytic upgrading of lignin-derived bio-oil. Factors affecting zeolite activity and the main zeolite catalytic mechanisms for lignin conversion were analyzed. Noble metal-based catalysts and metal sulfide catalysts are normally used as the HDO catalysts and the conversion mechanisms associated with a series of reactions have been proposed. Copyright © 2017 Elsevier Ltd. All rights reserved.

Activity Tests of Macro-Meso Porous Catalysts over Metal Foam Plate for Steam Reforming of Bio-Ethanol.

Science.gov (United States)

Park, No-Kuk; Jeong, Yong Han; Kang, Misook; Lee, Tae Jin

2018-09-01

The catalytic activity of a macro-mesoporous catalyst coated on a metal foam plate in the reforming of bio-ethanol to synthesis gas was investigated. The catalysts were prepared by coating a support with a noble metal and transition metal. The catalytic activity for the production of synthetic gas by the reforming of bio-ethanol was compared according to the support material, reaction temperature, and steam/carbon ratio. The catalysts coated on the metal foams were prepared using a template method, in which macro-pores and meso-pores were formed by mixing polymer beads. In particular, the thermodynamic equilibrium composition of bio-ethanol reforming with the reaction temperature and steam/carbon ratio to produce synthetic gas was examined using the HSC (Enthalpy-Entropy-Heat capacity) chemistry program in this study. The composition of hydrogen and carbon monoxide in the reformate gas produced by steam reforming over the Rh/Ni-Ce-Zr/Al2O3-based pellet type catalysts and metal foam catalysts that had been coated with the Rh/Al-Ce-Zr-based catalysts was investigated by experimental activity tests. The activity of the metal foam catalyst was higher than that of the pellet type catalyst.

Method for producing bio-fuel that integrates heat from carbon-carbon bond-forming reactions to drive biomass gasification reactions

Science.gov (United States)

Cortright, Randy D [Madison, WI; Dumesic, James A [Verona, WI

2011-01-18

A low-temperature catalytic process for converting biomass (preferably glycerol recovered from the fabrication of bio-diesel) to synthesis gas (i.e., H.sub.2/CO gas mixture) in an endothermic gasification reaction is described. The synthesis gas is used in exothermic carbon-carbon bond-forming reactions, such as Fischer-Tropsch, methanol, or dimethylether syntheses. The heat from the exothermic carbon-carbon bond-forming reaction is integrated with the endothermic gasification reaction, thus providing an energy-efficient route for producing fuels and chemicals from renewable biomass resources.

Qualitative Assessment of a 3D Simulation Program: Faculty, Students, and Bio-Organic Reaction Animations

Science.gov (United States)

Günersel, Adalet B.; Fleming, Steven A.

2013-01-01

Research shows that computer-based simulations and animations are especially helpful in fields such as chemistry where concepts are abstract and cannot be directly observed. Bio-Organic Reaction Animations (BioORA) is a freely available 3D visualization software program developed to help students understand the chemistry of biomolecular events.…

The potential of activated carbon derived from bio-char waste of bio-oil pyrolysis as adsorbent

Directory of Open Access Journals (Sweden)

Zulkania Ariany

2018-01-01

Full Text Available Activated carbon from bio-char waste of bio oil pyrolysis of mixed sugarcane bagasse and Rambutan twigs was investigated. Bio-char as by-product of bio-oil pyrolysis has potential to be good adsorbed by activating process. Bio-chars waste was activated in fixed bed reactor inside furnace without presenting oxygen. Gas N2 and CO2 were employed to drive out oxygen from the reactor and as activator, respectively. One of the best activation treatments is achieved by performing activation in different temperature and time to produce standard activated carbon. The experiment was performed at different temperatures and activation time, i.e. 800, 850, and 900° C and 80 and 120 minutes, respectively, to determine the optimal operating condition. Activated carbon was characterized by analysis of moisture content, ash content pH, and methylene blue test. The results showed that optimum activation was at 850°C and 80 minute, where activated carbon produced indicated the best adsorption capacity. The ash content and pH had significant role in resulting good activated carbon.

Chemical kinetics and reaction mechanism

International Nuclear Information System (INIS)

Jung, Ou Sik; Park, Youn Yeol

1996-12-01

This book is about chemical kinetics and reaction mechanism. It consists of eleven chapters, which deal with reaction and reaction speed on reaction mechanism, simple reaction by rate expression, reversible reaction and simultaneous reaction, successive reaction, complicated reaction mechanism, assumption for reaction mechanism, transition state theory, successive reaction and oscillating reaction, reaction by solution, research method high except kinetics on reaction mechanism, high reaction of kinetics like pulsed radiolysis.

Flow Type Bio-Chemical Calorimeter with Micro Differential Thermopile Sensor.

Science.gov (United States)

Saito, Masataka; Nakabeppu, Osamu

2015-04-01

Bio-chemical calorimeters with a MEMS (Micro-Electro-Mechanical Systems) thermopile sensor have been studied for monitoring detailed processes of the biochemical reactions of a minute sample with a high temporal resolution. The bio-calorimeters are generally divided into a batch-type and a flow-type. We developed a highly sensitive batch-type calorimeter which can detect a 100 nW level thermal reaction. However it shows a long settling time of 2 hours because of the heat capacity of a whole calorimeter. Thus, the flow-type calorimeters in passive and active mode have been studied for measuring the thermal reactions in an early stage after starting an analysis. The flow-type calorimeter consists of the MEMS differential thermopile sensor, a pair of micro channel reactor in a PDMS (polydimethylsiloxane) sheet in a three-fold thermostat chamber. The calorimeter in the passive mode was tested with dilution reactions of ethanol to water and NaCl aqueous solution to water. It was shown that the calorimeter detects exo- and endothermic reaction over 250 nW at solution flow rate of 0.05 ~ 1 µl/min with a settling time of about 4 minutes. In the active mode, a response test was conducted by using heat removal by water flow from the reactor channel. The active calorimetry enhances the response time about three to four times faster.

First-principles quantum mechanical investigations: Catalytic reactions of furfural on Pd(111) and at the water/Pd(111) interface

Science.gov (United States)

Xue, Wenhua

Bio-oils have drawn more and more attention from scientists as a promising new clean, cheap energy source. One of the most interesting relevant issues is the effect of catalysts on the catalytic reactions that are used for producing bio-oils. Furfural, as a very important intermediate during these reactions, has attracted significant studies. However, the effect of catalysts, including particularly the liquid/solid interface formed by a metal catalyst and liquid water, in the catalytic reactions involving furfural still remains elusive. In this research, we performed ab initio molecular dynamics simulations and first-principles density-functional theory calculations to investigate the atomic-scale mechanisms of catalytic hydrogenation of furfural on the palladium surface and at the liquid/state interface formed by the palladium surface and liquid water. We studied all the possible mechanisms that lead to formation of furfuryl alcohol (FOL), formation of tetrahydrofurfural (THFAL), and formation of tetrahydrofurfurfuryl alcohol (THFOL). We found that liquid water plays a significant role in the hydrogenation reactions. During the reaction in the presence of water and the palladium catalyst, in particular, water directly participates in the hydrogenation of the aldehyde group of furfural and facilitates the formation of FOL by reducing the activation energy. Our calculations show that water provides hydrogen for the hydrogenation of the aldehyde group, and at the same time, a pre-existing hydrogen atom, which is resulted from dissociation of molecular hydrogen (experimentally, molecular hydrogen is always supplied for hydrogenation) on the palladium surface, is bonded to water, making the water molecule intact in structure. In the absence of water, on the other hand, formation of FOL and THFAL on the palladium surface involves almost the same energy barriers, suggesting a comparable selectivity. Overall, as water reduces the activation energy for the formation of FOL

Brucella BioR Regulator Defines a Complex Regulatory Mechanism for Bacterial Biotin Metabolism

Science.gov (United States)

Xu, Jie; Zhang, Huimin; Srinivas, Swaminath

2013-01-01

The enzyme cofactor biotin (vitamin H or B7) is an energetically expensive molecule whose de novo biosynthesis requires 20 ATP equivalents. It seems quite likely that diverse mechanisms have evolved to tightly regulate its biosynthesis. Unlike the model regulator BirA, a bifunctional biotin protein ligase with the capability of repressing the biotin biosynthetic pathway, BioR has been recently reported by us as an alternative machinery and a new type of GntR family transcriptional factor that can repress the expression of the bioBFDAZ operon in the plant pathogen Agrobacterium tumefaciens. However, quite unusually, a closely related human pathogen, Brucella melitensis, has four putative BioR-binding sites (both bioR and bioY possess one site in the promoter region, whereas the bioBFDAZ [bio] operon contains two tandem BioR boxes). This raised the question of whether BioR mediates the complex regulatory network of biotin metabolism. Here, we report that this is the case. The B. melitensis BioR ortholog was overexpressed and purified to homogeneity, and its solution structure was found to be dimeric. Functional complementation in a bioR isogenic mutant of A. tumefaciens elucidated that Brucella BioR is a functional repressor. Electrophoretic mobility shift assays demonstrated that the four predicted BioR sites of Brucella plus the BioR site of A. tumefaciens can all interact with the Brucella BioR protein. In a reporter strain that we developed on the basis of a double mutant of A. tumefaciens (the ΔbioR ΔbioBFDA mutant), the β-galactosidase (β-Gal) activity of three plasmid-borne transcriptional fusions (bioBbme-lacZ, bioYbme-lacZ, and bioRbme-lacZ) was dramatically decreased upon overexpression of Brucella bioR. Real-time quantitative PCR analyses showed that the expression of bioBFDA and bioY is significantly elevated upon removal of bioR from B. melitensis. Together, we conclude that Brucella BioR is not only a negative autoregulator but also a repressor of

Reaction Mechanism of Mycobacterium Tuberculosis Glutamine Synthetase Using Quantum Mechanics/Molecular Mechanics Calculations.

Science.gov (United States)

Moreira, Cátia; Ramos, Maria J; Fernandes, Pedro Alexandrino

2016-06-27

This paper is devoted to the understanding of the reaction mechanism of mycobacterium tuberculosis glutamine synthetase (mtGS) with atomic detail, using computational quantum mechanics/molecular mechanics (QM/MM) methods at the ONIOM M06-D3/6-311++G(2d,2p):ff99SB//B3LYP/6-31G(d):ff99SB level of theory. The complete reaction undergoes a three-step mechanism: the spontaneous transfer of phosphate from ATP to glutamate upon ammonium binding (ammonium quickly loses a proton to Asp54), the attack of ammonia on phosphorylated glutamate (yielding protonated glutamine), and the deprotonation of glutamine by the leaving phosphate. This exothermic reaction has an activation free energy of 21.5 kcal mol(-1) , which is consistent with that described for Escherichia coli glutamine synthetase (15-17 kcal mol(-1) ). The participating active site residues have been identified and their role and energy contributions clarified. This study provides an insightful atomic description of the biosynthetic reaction that takes place in this enzyme, opening doors for more accurate studies for developing new anti-tuberculosis therapies. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Study of the oxygen reduction reaction on stainless steel materials in natural seawater. Influence of the bio-film on corrosion processes

International Nuclear Information System (INIS)

Le Bozec, N.

2000-01-01

Bio-film development on stainless steels immersed in natural seawater can have prejudicial consequences on the resistance of these materials to corrosion. The goal of the present study was to get more precise information on the corrosion processes, and especially on the oxygen reduction reaction. As the reaction is linked to the stainless steel surface state, the characterisation of the oxides films (composition, structure, thickness...) is essential to understand the mechanisms and the oxygen reduction kinetic. The first aim of the study has been to correlate the oxygen reduction processes with the characteristics of the oxides layer as a function of the alloy surface treatment (mechanical polishing, electrochemical passivation and pre-reduction, chemical treatment with some acids or with hydrogen peroxide). The second stage has consisted in following the evolution of the oxygen reduction processes and of the characteristics of the oxides layer with the aging of stainless steels in natural and artificial sea-waters. One major bio-film effect appears to be the production of hydrogen peroxide at a concentration level which induces modifications of the oxides layers and, consequently, of the evolution of the oxygen reduction kinetics as well as of the open circuit potential. Electrochemical techniques (voltammetric analysis at rotating disk and ring-disk electrodes, coulometry) combined with a surface analytical method by X-ray photoelectron spectroscopy have been used. The characterisation of the bio-film required the use of microscopy (scanning electronic microscopy, epi-fluorescence microscopy) and microbiological methods (cultures). The in-situ detection of hydrogen peroxide formed inside the bio-film has been performed with a micro-electrode and the results were confirmed with enzymatic methods. (author)

Biological and mechanical evaluation of a Bio-Hybrid scaffold for autologous valve tissue engineering

Energy Technology Data Exchange (ETDEWEB)

Jahnavi, S [Stem Cell and Molecular Biology Laboratory, Department of Biotechnology, Indian Institute of Technology Madras, Chennai, TN 600036 (India); Tissue Culture Laboratory, Biomedical Technology Wing, Sree Chitra Tirunal Institute for Medical Sciences and Technology, Poojappura, Trivandrum, Kerala 695012 (India); Saravanan, U [Department of Civil Engineering, Indian Institute of Technology Madras, Chennai, TN 600036 (India); Arthi, N [Stem Cell and Molecular Biology Laboratory, Department of Biotechnology, Indian Institute of Technology Madras, Chennai, TN 600036 (India); Bhuvaneshwar, G S [Department of Engineering Design, Indian Institute of Technology Madras, Chennai, TN 600036 (India); Kumary, T V [Tissue Culture Laboratory, Biomedical Technology Wing, Sree Chitra Tirunal Institute for Medical Sciences and Technology, Poojappura, Trivandrum, Kerala 695012 (India); Rajan, S [Madras Medical Mission, Institute of Cardio-Vascular Diseases, Mogappair, Chennai, Tamil Nadu 600037 (India); Verma, R S, E-mail: vermars@iitm.ac.in [Stem Cell and Molecular Biology Laboratory, Department of Biotechnology, Indian Institute of Technology Madras, Chennai, TN 600036 (India)

2017-04-01

Major challenge in heart valve tissue engineering for paediatric patients is the development of an autologous valve with regenerative capacity. Hybrid tissue engineering approach is recently gaining popularity to design scaffolds with desired biological and mechanical properties that can remodel post implantation. In this study, we fabricated aligned nanofibrous Bio-Hybrid scaffold made of decellularized bovine pericardium: polycaprolactone-chitosan with optimized polymer thickness to yield the desired biological and mechanical properties. CD44{sup +}, αSMA{sup +}, Vimentin{sup +} and CD105{sup −} human valve interstitial cells were isolated and seeded on these Bio-Hybrid scaffolds. Subsequent biological evaluation revealed interstitial cell proliferation with dense extra cellular matrix deposition that indicated the viability for growth and proliferation of seeded cells on the scaffolds. Uniaxial mechanical tests along axial direction showed that the Bio-Hybrid scaffolds has at least 20 times the strength of the native valves and its stiffness is nearly 3 times more than that of native valves. Biaxial and uniaxial mechanical studies on valve interstitial cells cultured Bio-Hybrid scaffolds revealed that the response along the axial and circumferential direction was different, similar to native valves. Overall, our findings suggest that Bio-Hybrid scaffold is a promising material for future development of regenerative heart valve constructs in children. - Highlights: • We report detailed biological and mechanical investigations of a Bio-Hybrid scaffold. • Optimized polymer thickness yielded desired biological and mechanical properties. • Bio-Hybrid scaffold revealed hVIC proliferation with dense ECM deposition. • Biaxial testing indicated that Bio-Hybrid scaffolds are mechanically stronger than native valves. • Bio-Hybrid scaffold is a promising material for autologous valve tissue engineering.

Significance, mechanisms and environmental implications of microbial bio-mineralization

International Nuclear Information System (INIS)

Benzerara, K.; Miot, J.; Morin, G.; Ona-Nguema, G.; Skouri-Panet, F.; Ferard, C.

2011-01-01

Microorganisms can mediate the formation of minerals by a process called bio-mineralization. This process offers an efficient way to sequester inorganic pollutants within relatively stable solid phases. Here we review some of the main mechanisms involved in the mediation of mineral precipitation by microorganisms. This includes supersaturation caused by metabolic activity, the triggering of nucleation by production of more or less specific organic molecules, and the impact of mineral growth. While these processes have been widely studied in the laboratory, assessment of their importance in the environment is more difficult. We illustrate this difficulty using a case study on an As-contaminated acid mine drainage located in the South of France (Carnoules, Gard). In particular, we explore the potential relationships that might exist between microbial diversity and mineral precipitation. The present review, far from being exhaustive, highlights some recent advances in the field of bio-mineralogy and provides non-specialists an introduction to some of the main approaches and some questions that remain unanswered. (authors)

Comprehensive genetic analysis of early host body reactions to the bioactive and bio-inert porous scaffolds.

Directory of Open Access Journals (Sweden)

Tomo Ehashi

Full Text Available To design scaffolds for tissue regeneration, details of the host body reaction to the scaffolds must be studied. Host body reactions have been investigated mainly by immunohistological observations for a long time. Despite of recent dramatic development in genetic analysis technologies, genetically comprehensive changes in host body reactions are hardly studied. There is no information about host body reactions that can predict successful tissue regeneration in the future. In the present study, porous polyethylene scaffolds were coated with bioactive collagen or bio-inert poly(2-methacryloyloxyethyl phosphorylcholine-co-n-butyl methacrylate (PMB and were implanted subcutaneously and compared the host body reaction to those substrates by normalizing the result using control non-coat polyethylene scaffold. The comprehensive analyses of early host body reactions to the scaffolds were carried out using a DNA microarray assay. Within numerous genes which were expressed differently among these scaffolds, particular genes related to inflammation, wound healing, and angiogenesis were focused upon. Interleukin (IL-1β and IL-10 are important cytokines in tissue responses to biomaterials because IL-1β promotes both inflammation and wound healing and IL-10 suppresses both of them. IL-1β was up-regulated in the collagen-coated scaffold. Collagen-specifically up-regulated genes contained both M1- and M2-macrophage-related genes. Marked vessel formation in the collagen-coated scaffold was occurred in accordance with the up-regulation of many angiogenesis-inducible factors. The DNA microarray assay provided global information regarding the host body reaction. Interestingly, several up-regulated genes were detected even on the very bio-inert PMB-coated surfaces and those genes include inflammation-suppressive and wound healing-suppressive IL-10, suggesting that not only active tissue response but also the inert response may relates to these genetic

Comprehensive Genetic Analysis of Early Host Body Reactions to the Bioactive and Bio-Inert Porous Scaffolds

Science.gov (United States)

Ehashi, Tomo; Takemura, Taro; Hanagata, Nobutaka; Minowa, Takashi; Kobayashi, Hisatoshi; Ishihara, Kazuhiko; Yamaoka, Tetsuji

2014-01-01

To design scaffolds for tissue regeneration, details of the host body reaction to the scaffolds must be studied. Host body reactions have been investigated mainly by immunohistological observations for a long time. Despite of recent dramatic development in genetic analysis technologies, genetically comprehensive changes in host body reactions are hardly studied. There is no information about host body reactions that can predict successful tissue regeneration in the future. In the present study, porous polyethylene scaffolds were coated with bioactive collagen or bio-inert poly(2-methacryloyloxyethyl phosphorylcholine-co-n-butyl methacrylate) (PMB) and were implanted subcutaneously and compared the host body reaction to those substrates by normalizing the result using control non-coat polyethylene scaffold. The comprehensive analyses of early host body reactions to the scaffolds were carried out using a DNA microarray assay. Within numerous genes which were expressed differently among these scaffolds, particular genes related to inflammation, wound healing, and angiogenesis were focused upon. Interleukin (IL)-1β and IL-10 are important cytokines in tissue responses to biomaterials because IL-1β promotes both inflammation and wound healing and IL-10 suppresses both of them. IL-1β was up-regulated in the collagen-coated scaffold. Collagen-specifically up-regulated genes contained both M1- and M2-macrophage-related genes. Marked vessel formation in the collagen-coated scaffold was occurred in accordance with the up-regulation of many angiogenesis-inducible factors. The DNA microarray assay provided global information regarding the host body reaction. Interestingly, several up-regulated genes were detected even on the very bio-inert PMB-coated surfaces and those genes include inflammation-suppressive and wound healing-suppressive IL-10, suggesting that not only active tissue response but also the inert response may relates to these genetic regulations. PMID:24454803

Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms

Science.gov (United States)

Gao, Connie W.; Allen, Joshua W.; Green, William H.; West, Richard H.

2016-06-01

Reaction Mechanism Generator (RMG) constructs kinetic models composed of elementary chemical reaction steps using a general understanding of how molecules react. Species thermochemistry is estimated through Benson group additivity and reaction rate coefficients are estimated using a database of known rate rules and reaction templates. At its core, RMG relies on two fundamental data structures: graphs and trees. Graphs are used to represent chemical structures, and trees are used to represent thermodynamic and kinetic data. Models are generated using a rate-based algorithm which excludes species from the model based on reaction fluxes. RMG can generate reaction mechanisms for species involving carbon, hydrogen, oxygen, sulfur, and nitrogen. It also has capabilities for estimating transport and solvation properties, and it automatically computes pressure-dependent rate coefficients and identifies chemically-activated reaction paths. RMG is an object-oriented program written in Python, which provides a stable, robust programming architecture for developing an extensible and modular code base with a large suite of unit tests. Computationally intensive functions are cythonized for speed improvements.

The Production of Biodiesel and Bio-kerosene from Coconut Oil Using Microwave Assisted Reaction

Science.gov (United States)

SAIFUDDIN, N.; SITI FAZLILI, A.; KUMARAN, P.; PEI-JUA, N.; PRIATHASHINI, P.

2016-03-01

Biofuels including biodiesel, an alternative fuel, is renewable, environmentally friendly, non-toxic and low emissions. The raw material used in this work was coconut oil, which contained saturated fatty acids about 90% with high percentage of medium chain (C8-C12), especially lauric acid and myristic acid. The purpose of this research was to study the effect of power and NaOH catalyst in transesterification assisted by microwave for production of biofuels (biodiesel and bio-kerosene) derived from coconut oil. The reaction was performed with oil and methanol using mole ratio of 1:6, catalyst concentration of 0.6% with microwave power at 100W, 180W, 300W, 450W, 600W, and 850W. The reaction time was set at of 3, 5, 7, 10 and 15 min. The results showed that microwave could accelerate the transesterification process to produce biodiesel and bio-kerosene using NaOH catalyst. The highest yield of biodiesel was 97.17 %, or 99.05 % conversion at 5 min and 100W microwave power. Meanwhile, the bio-kerosene obtained was 65% after distillation.

The influence of the hypoxia on bio electric activity of myocardium cells after acute gamma-irradiation

International Nuclear Information System (INIS)

Malykhina, A.P.; Lobanok, L.M.

1998-01-01

The aim of the investigation was to evaluate bio electric activity of the heart after acute gamma-irradiation and the hypoxia. Female rats (5 - 6 month old) was acute irradiated at 0,5 Gy dose (dose rate 0,1 mGy/sec) and was examined in a 10, 30, 90 and 180 days later. Electrophysiological study of the isolated right rat auricle was conducted by means of microelectrode registration of intracellular bio electric activity. It was shown that gamma-irradiation at 0,5 Gy resulted in decrease of amplitude and duration of action potentials of right auricle cells, attenuation of the dependence of the electrophysiological characteristics upon the stimulation frequency. Exposure of the rats to acute gamma-irradiation leaded to the depression of the interval of the cardio myocyte reaction on the hypoxia. The revealed post-radiation changes determined the reduction in function resistance of heart cells bio electric activity and can promote the initiation of arrhythmias

Reaction mechanisms of CO2 activation and catalytic reduction

International Nuclear Information System (INIS)

Wolff, Niklas von

2016-01-01

The use of CO 2 as a C1 chemical feedstock for the fine chemical industry is interesting both economically and ecologically, as CO 2 is non-toxic, abundant and cheap. Nevertheless, transformations of CO 2 into value-added products is hampered by its high thermodynamic stability and its inertness toward reduction. In order to design new catalysts able to overcome this kinetic challenge, a profound understanding of the reaction mechanisms at play in CO 2 reduction is needed. Using novel N/Si+ frustrated Lewis pairs (FLPs), the influence of CO 2 adducts and different hydro-borane reducing agents on the reaction mechanism in the catalytic hydroboration of CO 2 were investigated, both by DFT calculations and experiments. In a second step, the reaction mechanism of a novel reaction for the creation of C-C bonds from CO 2 and pyridyl-silanes (C 5 H 4 N-SiMe 3 ) was analyzed by DFT calculations. It was shown that CO 2 plays a double role in this transformation, acting both as a catalyst and a C1-building block. The fine understanding of this transformation then led to the development of a novel approach for the synthesis of sulfones and sulfonamides. Starting from SO 2 and aromatic silanes/amine silanes, these products were obtained in a single step under metal-free conditions. Noteworthy, sulfones and sulfonamides are common motifs in organic chemistry and found in a variety of highly important drugs. Finally, this concept was extended to aromatic halides as coupling partners, and it was thus shown for the first time that a sulfonylative Hiyama reaction is a possible approach to the synthesis of sulfones. (author) [fr

Fiber-Optic Bio-sniffer (Biochemical Gas Sensor) Using Reverse Reaction of Alcohol Dehydrogenase for Exhaled Acetaldehyde.

Science.gov (United States)

Iitani, Kenta; Chien, Po-Jen; Suzuki, Takuma; Toma, Koji; Arakawa, Takahiro; Iwasaki, Yasuhiko; Mitsubayashi, Kohji

2018-02-23

Volatile organic compounds (VOCs) exhaled in breath have huge potential as indicators of diseases and metabolisms. Application of breath analysis for disease screening and metabolism assessment is expected since breath samples can be noninvasively collected and measured. In this research, a highly sensitive and selective biochemical gas sensor (bio-sniffer) for gaseous acetaldehyde (AcH) was developed. In the AcH bio-sniffer, a reverse reaction of alcohol dehydrogenase (ADH) was employed for reducing AcH to ethanol and simultaneously consuming a coenzyme, reduced form of nicotinamide adenine dinucleotide (NADH). The concentration of AcH can be quantified by fluorescence detection of NADH that was consumed by reverse reaction of ADH. The AcH bio-sniffer was composed of an ultraviolet light-emitting diode (UV-LED) as an excitation light source, a photomultiplier tube (PMT) as a fluorescence detector, and an optical fiber probe, and these three components were connected with a bifurcated optical fiber. A gas-sensing region of the fiber probe was developed with a flow-cell and an ADH-immobilized membrane. In the experiment, after optimization of the enzyme reaction conditions, the selectivity and dynamic range of the AcH bio-sniffer were investigated. The AcH bio-sniffer showed a short measurement time (within 2 min) and a broad dynamic range for determination of gaseous AcH, 0.02-10 ppm, which encompassed a typical AcH concentration in exhaled breath (1.2-6.0 ppm). Also, the AcH bio-sniffer exhibited a high selectivity to gaseous AcH based on the specificity of ADH. The sensor outputs were observed only from AcH-contained standard gaseous samples. Finally, the AcH bio-sniffer was applied to measure the concentration of AcH in exhaled breath from healthy subjects after ingestion of alcohol. As a result, a significant difference of AcH concentration between subjects with different aldehyde dehydrogenase type 2 (ALDH2) phenotypes was observed. The AcH bio-sniffer can be

Hydrothermal liquefaction of cellulose to bio-oil under acidic, neutral and alkaline conditions

International Nuclear Information System (INIS)

Yin, Sudong; Tan, Zhongchao

2012-01-01

Highlights: ► Hydrothermal liquefaction (HTL) at acidic, neutral and alkaline conditions. ► Bio-oil compositions varied with acidic, neutral and alkaline conditions. ► Reaction mechanisms varied with acidic, neutral and alkaline conditions. ► HTL should be classified to acidic, neutral and alkaline processes. -- Abstract: Hydrothermal liquefaction (HTL) of biomass to bio-oil under alkaline or neutral conditions has been widely reported in literature. However, there has been limited data available in literature on comparing HTL of biomass to bio-oil under acidic, neutral, and alkaline in terms of chemical compositions and yields by using the same reaction conditions and reactor. Using cellulose as a feedstock we conducted the comparative studies for pH = 3, 7 and 14 at temperatures of 275–320 °C with reaction residence times of 0–30 min. Results showed that the chemical compositions of the bio-oils were different for acidic, neutral and alkaline conditions. Under acidic and neutral conditions, the main composition of HTL bio-oil was 5-(Hydroxymethyl)furfural (HMF). Under alkaline conditions, the main compounds became C 2–5 carboxylic acids. For bio-oil yields, it was observed that high temperatures and long residence times had negative effects, regardless of the pH levels. However, the corresponding reaction mechanisms are different. Under acidic conditions, the decrease in the bio-oil yields was mainly caused by polymerization of 5-HMF to solids. Under neutral conditions, the bio-oil yields decreased because 5-HMF was converted to both solid and gaseous products. Under alkaline conditions, the bio-oil decomposed to gases through the formation of short chain acids and aldehydes. Therefore, although they were all referred to as HTL bio-oil in literature, they were formed by different reaction pathways and had different properties due to their different chemical compositions. Given these differences, different strategies are recommended in this study to

Bio-optofluidics and Bio-photonics: Programmable Phase Optics activities at DTU Fotonik

DEFF Research Database (Denmark)

Bañas, Andrew Rafael; Palima, Darwin; Pedersen, Finn

We present ongoing research and development activities for constructing a compact next generation BioPhotonics Workstation and a Bio-optofluidic Cell Sorter (cell-BOCS) for all-optical micromanipulation platforms utilizing low numerical aperture beam geometries. Unlike conventional high NA optical...... tweezers, the BioPhotonics workstation is e.g. capable of long range 3D manipulation. This enables a variety of biological studies such as manipulation of intricate microfabricated assemblies or for automated and parallel optofluidic cell sorting. To further reduce its overhead, we propose ways of making...... the BioPhotonics Workstation platform more photon efficient by studying the 3D distribution of the counter propagating beams and utilizing the Generalized Phase Contrast (GPC) method for illuminating the applied spatial light modulators....

Mechanically activated SHS reaction in the Fe-Al system: in-situ time resolved diffraction using synchrotron radiation

International Nuclear Information System (INIS)

Gaffet, E.; Charlot, F.; Klein, D.; Bernard, F.; Niepce, J.C.

1998-01-01

The mechanical activation self propagating high temperature synthesis (M.A.S.H.S.) processing is a new way to produce nanocrystalline iron aluminide intermetallic compounds. This process is maily the combination of two steps; in the one hand, a mechanical activation where the Fe - Al powder mixture was milled during a short time at given energy and frequency of shocks and in the other hand, a self propagating high temperature synthesis (S.H.S.) reaction, for which the exothermicity of the Fe + Al reaction is used. This fast propagated MASHS reaction has been in-situ investigated using the time resolved X-ray diffraction (TRXRD) using a X-ray synchrotron beam and an infrared thermography camera, allowing the coupling of the materials structure and the temperature field. The effects of the initial mean compositions, of the milling conditions as well as of the compaction parameters on the MASHS reaction are reported. (orig.)

Explore the reaction mechanism of the Maillard reaction: a density functional theory study.

Science.gov (United States)

Ren, Ge-Rui; Zhao, Li-Jiang; Sun, Qiang; Xie, Hu-Jun; Lei, Qun-Fang; Fang, Wen-Jun

2015-05-01

The mechanism of Maillard reaction has been investigated by means of density functional theory calculations in the gaseous phase and aqueous solution. The Maillard reaction is a cascade of consecutive and parallel reaction. In the present model system study, glucose and glycine were taken as the initial reactants. On the basis of previous experimental results, the mechanisms of Maillard reaction have been proposed, and the possibility for the formation of different compounds have been evaluated through calculating the relative energy changes for different steps of reaction under different pH conditions. Our calculations reveal that the TS3 in Amadori rearrangement reaction is the rate-determining step of Maillard reaction with the activation barriers of about 66.7 and 68.8 kcal mol(-1) in the gaseous phase and aqueous solution, respectively. The calculation results are in good agreement with previous studies and could provide insights into the reaction mechanism of Maillard reaction, since experimental evaluation of the role of intermediates in the Maillard reaction is quite complicated.

One step gold (bio)functionalisation based on CS{sub 2}-amine reaction

Energy Technology Data Exchange (ETDEWEB)

Almeida, Ines [Centro de Quimica e Bioquimica, Faculdade de Ciencias da Universidade de Lisboa, Ed. C8, Campo Grande, 1749-016 Lisboa (Portugal); Cascalheira, Antonio C. [Lumisense, Lda, Campus Faculdade de Ciencias da Universidade de Lisboa, Ed. ICAT, Campo Grande, 1749-016 Lisboa (Portugal); Viana, Ana S., E-mail: anaviana@fc.ul.p [Centro de Quimica e Bioquimica, Faculdade de Ciencias da Universidade de Lisboa, Ed. C8, Campo Grande, 1749-016 Lisboa (Portugal)

2010-12-01

Dithiocarbamates have been regarded as alternative anchor groups to thiols on gold surfaces, and claimed to be formed in situ through the reaction between secondary amines and carbon disulphide. In this paper, we further exploit this methodology for a convenient one step biomolecule immobilisation onto gold surfaces. First, the reactivity between CS{sub 2} and electroactive compounds containing amines, primary (dopamine), secondary (epinephrine), and an amino acid (tryptophan) has been investigated by electrochemical methods. Cyclic voltammetric characterisation of the modified electrodes confirmed the immobilisation of all the target compounds, allowing the estimation of their surface concentration. The best result was obtained with epinephrine, a secondary amine, for which a typical quasi-reversible behaviour of surface confined electroactive species could be clearly depicted. Electrochemical reductive desorption studies enabled to infer on the extent of the reaction and on the relative stability of the generated monolayers. Bio-functionalisation studies have been accomplished through the reaction of CS{sub 2} with glucose oxidase in aqueous medium, and the catalytic activity of the immobilised enzyme was evaluated towards glucose, by electrochemical methods in the presence of a redox mediator. Scanning tunnelling microscopy (STM) and Atomic force microscopy (AFM) were used respectively, to characterize the gold electrodes and Glucose Oxidase coverage and distribution on the modified surfaces.

From marine bio-corrosion to new bio-processes

International Nuclear Information System (INIS)

Bergel, A.; Dasilva, S.; Basseguy, R.; Feron, D.; Mollica, A.

2004-01-01

Full text of publication follows: From the middle of the last century it has been observed that the development of marine bio-films on the surface of stainless steels and different metallic materials induces the ennoblement of their free corrosion potential. A main step in deciphering the mechanisms of aerobic marine bio-corrosion has been achieved around 1976 with the demonstration that the potential ennoblement was due to the modification of the cathodic process. Since this date, the catalysis of oxygen reduction by marine bio-films has been the topic of numerous controversies, but it is now commonly agreed as a basic phenomena in aerobic corrosion. Several hypotheses have been proposed to explain the fine mechanisms of the bio-film-catalysed reduction of oxygen: intermediate formation of hydrogen peroxide, modification of the oxide layer on the stainless steel surface, involvement of manganese species and manganese oxidising bacteria, catalysis by proteins produced by the micro-organisms... Recent results may confirm the possible involvement of hemic enzymes or proteins. Whatever the mechanisms, very promising results have been obtained with the possible application of bio-film-catalysed oxygen reduction to conceive innovative biofuel cells with stainless steel electrodes. Actually, the catalysis of oxygen reduction is a key step that still drastically hinders the development of economically efficient hydrogen/oxygen fuel cells. The current technology requires high amounts of platinum or platinum-based materials to catalyze oxygen reduction on the cathode of these cells. The prohibitive cost of platinum is a main obstacle to the commercialization of low-cost fuel cells. Unpublished results recently showed that adapting the enzyme-catalysed reaction that was assumed for bio-corrosion on the cathode of hydrogen/oxygen fuel cells may lead to a significant decrease in the charge of platinum. Moreover, it was demonstrated on a laboratory-scale fuel cell pilot that

Study of bioavailability of Mn in soil manured with bio solids using neutron activation analysis (NAA)

International Nuclear Information System (INIS)

Mateus, Natalina de Fatima; Madi Filho, Tufic

2010-01-01

Full text: This work evaluated, using neutron activation analysis (NAA), the behavior of Mn absorption by Eucalyptus manured with bio solids. Manganese is an important micro nutrient because it is an activator of enzymes, controller of oxy reduction reactions, essential to the photosynthesis and synthesis of chlorophyll and protein. Its lack causes a decrease in photosynthesis, which reduces growth and productivity. In alkaline soils there is manganese deficiency. The critical level of Mn is 675 μg:g -1 , above this value manganese is toxic to the plant, but the bio solids applied had a concentration of 300 μg:g -1 , below the critical level. 16 samples were analyzed, and various elements were detected. But the interest in this work was to evaluate the behavior of Mn with increasing the amount of bio solids used as manure. Three different concentrations of bio solids: 10 kg:ha -1 ; 20 kg:ha -1 and 40 kg:ha -1 were applied. Alkaline bio solids provides an increase of the soil pH, which cause the reduction of the manganese availability. The bio solid is a mud resulting from the biological treatment of wasted liquids. It is considered as a profitable alternative and important to minimize the environmental impact generated by the sewage thrown into sanitary lands. The level of pH above 5.5 causes the Mn reduction. The values obtained showed this reduction of Mn phytoavailability with the bio solids increase. (author)

Study of bioavailability of Mn in soil manured with bio solids using neutron activation analysis (NAA)

Energy Technology Data Exchange (ETDEWEB)

Mateus, Natalina de Fatima [Secretaria da Educacao do Estado de Sao Paulo, SP (Brazil); Madi Filho, Tufic [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

2010-07-01

Full text: This work evaluated, using neutron activation analysis (NAA), the behavior of Mn absorption by Eucalyptus manured with bio solids. Manganese is an important micro nutrient because it is an activator of enzymes, controller of oxy reduction reactions, essential to the photosynthesis and synthesis of chlorophyll and protein. Its lack causes a decrease in photosynthesis, which reduces growth and productivity. In alkaline soils there is manganese deficiency. The critical level of Mn is 675 {mu}g:g{sup -1}, above this value manganese is toxic to the plant, but the bio solids applied had a concentration of 300 {mu}g:g{sup -1}, below the critical level. 16 samples were analyzed, and various elements were detected. But the interest in this work was to evaluate the behavior of Mn with increasing the amount of bio solids used as manure. Three different concentrations of bio solids: 10 kg:ha{sup -1}; 20 kg:ha{sup -1} and 40 kg:ha{sup -1} were applied. Alkaline bio solids provides an increase of the soil pH, which cause the reduction of the manganese availability. The bio solid is a mud resulting from the biological treatment of wasted liquids. It is considered as a profitable alternative and important to minimize the environmental impact generated by the sewage thrown into sanitary lands. The level of pH above 5.5 causes the Mn reduction. The values obtained showed this reduction of Mn phytoavailability with the bio solids increase. (author)

Bio-mechanical aspects of elite cyclists’ motor system adaptation in process of competition activity

Directory of Open Access Journals (Sweden)

A.N. Kolumbet

2017-10-01

Full Text Available Purpose; to study the laws of motor structure adaptation of elite cyclists, specializing in 4 km individual pursuit racing on track. Material: in the research 18 elite athletes participated. We studied special aspects of athletes’ coordination structure in experiment, which simulated competition activity. Results: at start segment of distance high speed depends on effectiveness of right leg’s pulling; on pressing and pushing of left leg. At initial stage of distance high efficiency of pedaling is ensured by pressing and pulling of right and left legs. At middle segment high workability depends on movement of right leg; pressing, pulling and pushing of left leg. On finish speed depends by effectiveness of pressing, pulling and moving of right leg; pressing and pulling of left leg. Conclusions: the presented material creates real pre-conditions for development of bio-mechanical models of cyclists’ pedaling technique. The received data can be used for special searching of optimal movement, considering competition tactic. The received results can be used for choosing of means and methods of athletes’ movements’ pedagogic re-constructions.

About possible mechanisms of current transfer in the bio-polymer - semiconductor heterostructure

International Nuclear Information System (INIS)

Pavlov, A.A.; Dosmailov, M.A.; Karibaeva, M.K.; Kenshinbaev, N.K.; Kokanbaev, M.; Uristembekov, B.B.; Tynyshtykbaev, K.B.

2003-01-01

Earlier by the bio-polymer films deposition on silicon the bio-polymer - semiconductor heterostructures were created. The influence of silicon surface atoms on self-organization processes in these bio-molecules were studied. Particularly the silicon - bio-cholesterol aqueous solution and the silicon - bio-chlorophyll aqueous solution spectral photo-sensitivity were considered. In this case the of photo-response broadening in the spectral photo-sensitivity short-wave part of these systems have been observed. The similar broadening is explained by both the passivation of surface recombination centers by OH-groups and the anti-reflecting properties of aqueous solutions. Besides it is possible the additional charge carriers generation caused by quasi-inter-zone transfers in the bio-polymers depending on electron-conformation properties of macromolecules. In the paper the possible mechanisms of current transfer in the bio-polymer - semiconductor heterostructure are discussed

Injection Molding and Mechanical Properties of Bio-Based Polymer Nanocomposites

Directory of Open Access Journals (Sweden)

Maria Chiara Mistretta

2018-04-01

Full Text Available The use of biodegradable/bio-based polymers is of great importance in addressing several issues related to environmental protection, public health, and new, stricter legislation. Yet some applications require improved properties (such as barrier or mechanical properties, suggesting the use of nanosized fillers in order to obtain bio-based polymer nanocomposites. In this work, bionanocomposites based on two different biodegradable polymers (coming from the Bioflex and MaterBi families and two different nanosized fillers (organo-modified clay and hydrophobic-coated precipitated calcium carbonate were prepared and compared with traditional nanocomposites with high-density polyethylene (HDPE as matrix. In particular, the injection molding processability, as well as the mechanical and rheological properties of the so-obtained bionanocomposites were investigated. It was found that the processability of the two biodegradable polymers and the related nanocomposites can be compared to that of the HDPE-based systems and that, in general, the bio-based systems can be taken into account as suitable alternatives.

Cytotoxicity and mechanical behavior of chitin-bentonite clay based polyurethane bio-nanocomposites.

Science.gov (United States)

Zia, Khalid Mahmood; Zuber, Mohammad; Barikani, Mehdi; Hussain, Rizwan; Jamil, Tahir; Anjum, Sohail

2011-12-01

Chitin based polyurethane bio-nanocomposites (PUBNC) were prepared using chitin, Delite HPS bentonite nanoclay enriched in montmorillonite (MMT), 4,4'-diphenylmethane diisocyanate (MDI) and polycaprolactone polyol CAPA 231 (3000 g/mol(-1)). The prepolymers having different concentration of Delite HPS bentonite nanoclay were extended with 2 moles of chitin. The structures of the resulted polymers were determined by FT-IR technique. The effect of nanoclay contents on mechanical properties and in vitro biocompatibility was investigated. The mechanical properties of the synthesized materials were improved with increase in the Delite HPS bentonite nanoclay contents. Optimum mechanical properties were obtained from the PU bio-nanocomposite samples having 4% Delite HPS bentonite nanoclay. The results revealed that the final PU bio-nanocomposite having 2% Delite HPS bentonite nanoclay contents is ideal contenders for surgical threads with on going investigations into their in vitro biocompatibility, non-toxicity, and mechanical properties. Copyright © 2011 Elsevier B.V. All rights reserved.

Abrasive wear behaviour of bio-active glass ceramics containing ...

Indian Academy of Sciences (India)

In this study, abrasive wear behaviour of bio-active glass ceramic materials produced with two different processes is studied. Hot pressing process and conventional casting and controlled crystallization process were used to produce bio-active ceramics. Fracture toughness of studied material was calculated by fracture ...

Activation and characterization of waste coffee grounds as bio-sorbent

Science.gov (United States)

Mariana; Marwan; Mulana, F.; Yunardi; Ismail, T. A.; Hafdiansyah, M. F.

2018-03-01

As the city well known for its culture of coffee drinkers, modern and traditional coffee shops are found everywhere in Banda Aceh, Indonesia. High number of coffee shops in the city generates large quantities of spent coffee grounds as waste without any effort to convert them as other valuable products. In an attempt to reduce environmental problems caused by used coffee grounds, this research was conducted to utilize waste coffee grounds as an activated carbon bio-sorbent. The specific purpose of this research is to improve the performance of coffee grounds bio-sorbent through chemical and physical activation, and to characterize the produced bio-sorbent. Following physical activation by carbonization, a chemical activation was achieved by soaking the carbonized waste coffee grounds in HCl solvent and carbonization process. The activated bio-sorbent was characterized for its morphological properties using Scanning Electron Microscopy (SEM), its functional groups by Fourier Transform Infra-Red Spectrophotometer (FTIR), and its material characteristics using X-Ray Diffraction (XRD). Characterization of the activated carbon prepared from waste coffee grounds shows that it meets standard quality requirement in accordance with Indonesian National Standard, SNI 06-3730-1995. Activation process has modified the functional groups of the waste coffee grounds. Comparing to natural waste coffee grounds, the resulted bio-sorbent demonstrated a more porous surface morphology following activation process. Consequently, such bio-sorbent is a potential source to be used as an adsorbent for various applications.

Highly sensitive electrochemical detection of human telomerase activity based on bio-barcode method.

Science.gov (United States)

Li, Ying; Liu, Bangwei; Li, Xia; Wei, Qingli

2010-07-15

In the present study, an electrochemical method for highly sensitive detection of human telomerase activity was developed based on bio-barcode amplification assay. Telomerase was extracted from HeLa cells, then the extract was mixed with telomerase substrate (TS) primer to perform extension reaction. The extension product was hybridized with the capture DNA immobilized on the Au electrode and then reacted with the signal DNA on Au nanoparticles to form a sandwich hybridization mode. Electrochemical signals were generated by chronocoulometric interrogation of [Ru(NH(3))(6)](3+) that quantitatively binds to the DNA on Au nanoparticles via electrostatic interaction. This method can detect the telomerase activity from as little as 10 cultured cancer cells without the polymerase chain reaction (PCR) amplification of telomerase extension product. Copyright (c) 2010 Elsevier B.V. All rights reserved.

Effect of acid catalysts and accelerated aging on the reaction of methanol with hydroxy-acetaldehyde in bio-oil

Directory of Open Access Journals (Sweden)

Bhattacharya, P.

2010-05-01

Full Text Available Bio-oil is a promising alternative source of energy produced from fast pyrolysis of biomass. Increasing the viscosity of bio-oil during storage is a major problem that can be controlled by the addition of methanol or other alcohols. This paper reports the results of our investigation of the reactions of short chain alcohols with aldehydes and acids in bio-oil. The reaction of methanol with hydroxyacetaldehyde (HA to form the acetal was catalyzed by the addition of 7 x 10-4 M strong acids such as sulfuric, hydrochloric, p-toluene sulfonic acid, and methanesulfonic acid. HA formed 2,2-dimethoxyethanol (DME, and at 60 oC the equilibrium was reached in less than one hour. Smaller amounts of DME were formed in the absence of strong acid. HA, acetaldehyde, and propanal formed their corresponding acetals when reacted with methanol, ethanol, 1-propanol or 1-butanol. Esters of acetic acid and hydroxyacetic acid were observed from reactions with these same four alcohols. Other acetals and esters were observed by GC/MS analysis of the reaction products. The results from accelerated aging experiments at 90 oC suggest that the presence of methanol slows polymerization by formation of acetals and esters from low molecular weight aldehydes and organic acids.

Bio-actives and Drug

Indian Academy of Sciences (India)

Bio-actives. have an effect on or elicit a response from living tissue. Refer to a substance that can be acted upon by a living organism or by an extract from a living organism. are constituents in foods or dietary supplements, other than those needed to meet basic nutritional needs, that are responsible for changes in health ...

Catalytic Conversion of Bio-oil to Fuel for Transportation

DEFF Research Database (Denmark)

Mortensen, Peter Mølgaard

identied as a prospective route to bio-fuels. The upgrading is most favorably done by hydrodeoxygenation (HDO), producing bio-fuels at a quality equivalent to conventional fossil fuels. The topic of this Ph.D. thesis has been the development of active and stable catalysts for this reaction. In the search...

Biological and mechanical evaluation of a Bio-Hybrid scaffold for autologous valve tissue engineering.

Science.gov (United States)

Jahnavi, S; Saravanan, U; Arthi, N; Bhuvaneshwar, G S; Kumary, T V; Rajan, S; Verma, R S

2017-04-01

Major challenge in heart valve tissue engineering for paediatric patients is the development of an autologous valve with regenerative capacity. Hybrid tissue engineering approach is recently gaining popularity to design scaffolds with desired biological and mechanical properties that can remodel post implantation. In this study, we fabricated aligned nanofibrous Bio-Hybrid scaffold made of decellularized bovine pericardium: polycaprolactone-chitosan with optimized polymer thickness to yield the desired biological and mechanical properties. CD44 + , αSMA + , Vimentin + and CD105 - human valve interstitial cells were isolated and seeded on these Bio-Hybrid scaffolds. Subsequent biological evaluation revealed interstitial cell proliferation with dense extra cellular matrix deposition that indicated the viability for growth and proliferation of seeded cells on the scaffolds. Uniaxial mechanical tests along axial direction showed that the Bio-Hybrid scaffolds has at least 20 times the strength of the native valves and its stiffness is nearly 3 times more than that of native valves. Biaxial and uniaxial mechanical studies on valve interstitial cells cultured Bio-Hybrid scaffolds revealed that the response along the axial and circumferential direction was different, similar to native valves. Overall, our findings suggest that Bio-Hybrid scaffold is a promising material for future development of regenerative heart valve constructs in children. Copyright © 2016 Elsevier B.V. All rights reserved.

Bio-methane from an-aerobic digestion using activated carbon adsorption.

Science.gov (United States)

Farooq, Muhammad; Bell, Alexandra H; Almustapha, M N; Andresen, John M

2017-08-01

There is an increasing global demand for carbon-neutral bio-methane from an-aerobic digestion (AD) to be injected into national gas grids. Bio-gas, a methane -rich energy gas, is produced by microbial decomposition of organic matter through an-aerobic conditions where the presence of carbon dioxide and hydrogen sulphide affects its performance. Although the microbiological process in the AD can be tailored to enhance the bio-gas composition, physical treatment is needed to convert the bio-gas into bio-methane. Water washing is the most common method for upgrading bio-gas for bio-methane production, but its large use of water is challenging towards industrial scale-up. Hence, the present study focuses on scale-up comparison of water washing with activated-carbon adsorption using HYSYS and Aspen Process Economic Analyzer. The models show that for plants processing less than 500 m 3 /h water scrubbing was cost effective compared with activated carbon. However, against current fossil natural-gas cost of about 1 p/kWh in the UK both relied heavily on governmental subsidies to become economically feasible. For plants operating at 1000 m 3 /hr, the treatment costs were reduced to below 1.5 p/kWh for water scrubbing and 0.9 p/kWh for activated carbon where the main benefits of activated carbon were lower capital and operating costs and virtually no water losses. It is envisioned that this method can significantly aid the production of sustainable bio-methane. Copyright © 2017 Elsevier Ltd. All rights reserved.

Temperature dependence on the synthesis of Jatropha bio lubricant

International Nuclear Information System (INIS)

Gunam Resul, M.F.M.; Tinia Idaty Mohd Ghazi; Idris, A.

2009-01-01

Full text: Jatropha oil has good potential as the renewable energy as well as lubricant feedstock. The synthesis of jatropha bio lubricant was performed by transesterification of jatropha methyl ester (JME) with trimethyl-ol-propane (TMP) with sodium methoxide (NaOCH 3 ) catalyst. The effects of temperature on the synthesis were studied at a range between 120 degree Celsius and 200 degree Celsius with pressure kept at 10 mbar. The conversion of JME to jatropha bio lubricant was found to be the highest (47 %) at 200 degree Celsius. However, it was suggested that the optimum temperature of the reaction is at 150 degree Celsius due to insignificant improvement in bio lubricant production. To maintain forward reaction, the excess amount of JME was maintained at 3.9:1 ratios to TMP. Kinetic study was done and compared. The synthesis was found to follow a second order reaction with overall rate constant of 1.49 x 10 -1 (% wt/ wt.min.degree Celsius) -1 . The estimated activation energy was 3.94 kJ/mol. Pour point for jatropha bio lubricant was at -3 degree Celsius and Viscosity Index (VI) ranged from 178 to 183. The basic properties of jatropha bio lubricant, pour point and viscosities are found comparable to other plant based bio lubricant, namely palm oil and soybean based bio lubricant. (author)

Catalyst Influence on Undesired Side Reactions in the Polycondensation of Fully Bio-Based Polyester Itaconates

Directory of Open Access Journals (Sweden)

Ina Schoon

2017-12-01

Full Text Available Bio-based unsaturated polyester resins derived from itaconic acid can be an alternative to established resins of this type in the field of radical-curing resins. However, one of the challenges of these polyester itaconates is the somewhat more elaborate synthetic process, especially under polycondensation conditions used on an industrial scale. The α,β-unsaturated double bond of the itaconic acid is prone to side reactions that can lead to the gelation of the polyester resin under standard conditions. This is especially true when bio-based diols such as 1,3-propanediol or 1,4-butanediol are used to obtain resins that are 100% derived from renewable resources. It was observed in earlier studies that high amounts of these aliphatic diols in the polyester lead to low conversion and gelation of the resins. In this work, a catalytic study using different diols was performed in order to elucidate the reasons for this behavior. It was shown that the choice of catalyst has a crucial influence on the side reactions occurring during the polycondensation reactions. In addition, the side reactions taking place were identified and suppressed. These results will allow for the synthesis of polyester itaconates on a larger scale, setting the stage for their industrial application.

Molecular machines with bio-inspired mechanisms.

Science.gov (United States)

Zhang, Liang; Marcos, Vanesa; Leigh, David A

2018-02-26

The widespread use of molecular-level motion in key natural processes suggests that great rewards could come from bridging the gap between the present generation of synthetic molecular machines-which by and large function as switches-and the machines of the macroscopic world, which utilize the synchronized behavior of integrated components to perform more sophisticated tasks than is possible with any individual switch. Should we try to make molecular machines of greater complexity by trying to mimic machines from the macroscopic world or instead apply unfamiliar (and no doubt have to discover or invent currently unknown) mechanisms utilized by biological machines? Here we try to answer that question by exploring some of the advances made to date using bio-inspired machine mechanisms.

Numerical investigations on the osseointegration of uncemented endoprostheses based on bio-active interface theory

Science.gov (United States)

Lutz, André; Nackenhorst, Udo

2012-09-01

In order to simulate the osseointegration of bone implants, a bio-active interface theory is necessary. The thin bone-implant interface layer is described by the Drucker-Prager plasticity model. The formulation of bone mineral density depends on the local mechanical environment. For the simulation of the osseointegration of bone implants a bio-active interface theory is suggested. A thin bone-implant interface layer is described by a Drucker-Prager plasticity model. An evolution rule for the bone mineral density is formulated in dependency of the local mechanical environment. The time dependent ingrowth is modeled by a hardening rule which modifies the Drucker-Prager yield-surface cone in the principle stress state in dependency of the local bone mineral density. The osseointegration process is limited by the violation of a so called micromotion threshold. This relative motion in the implant-bone interface is computed by dynamic loads of daily motion activity. For parameter studies on detailed 3D models model reduction techniques are introduced. The applicability is demonstrated on a hip-joint prosthesis which is in clinical usage.

Method to upgrade bio-oils to fuel and bio-crude

Science.gov (United States)

Steele, Philip H; Pittman, Jr., Charles U; Ingram, Jr., Leonard L; Gajjela, Sanjeev; Zhang, Zhijun; Bhattacharya, Priyanka

2013-12-10

This invention relates to a method and device to produce esterified, olefinated/esterified, or thermochemolytic reacted bio-oils as fuels. The olefinated/esterified product may be utilized as a biocrude for input to a refinery, either alone or in combination with petroleum crude oils. The bio-oil esterification reaction is catalyzed by addition of alcohol and acid catalyst. The olefination/esterification reaction is catalyzed by addition of resin acid or other heterogeneous catalyst to catalyze olefins added to previously etherified bio-oil; the olefins and alcohol may also be simultaneously combined and catalyzed by addition of resin acid or other heterogeneous catalyst to produce the olefinated/esterified product.

Production of bioelectricity, bio-hydrogen, high value chemicals and bioinspired nanomaterials by electrochemically active biofilms.

Science.gov (United States)

Kalathil, Shafeer; Khan, Mohammad Mansoob; Lee, Jintae; Cho, Moo Hwan

2013-11-01

Microorganisms naturally form biofilms on solid surfaces for their mutual benefits including protection from environmental stresses caused by contaminants, nutritional depletion or imbalances. The biofilms are normally dangerous to human health due to their inherited robustness. On the other hand, a recent study suggested that electrochemically active biofilms (EABs) generated by electrically active microorganisms have properties that can be used to catalyze or control the electrochemical reactions in a range of fields, such as bioenergy production, bioremediation, chemical/biological synthesis, bio-corrosion mitigation and biosensor development. EABs have attracted considerable attraction in bioelectrochemical systems (BESs), such as microbial fuel cells and microbial electrolysis cells, where they act as living bioanode or biocathode catalysts. Recently, it was reported that EABs can be used to synthesize metal nanoparticles and metal nanocomposites. The EAB-mediated synthesis of metal and metal-semiconductor nanocomposites is expected to provide a new avenue for the greener synthesis of nanomaterials with high efficiency and speed than other synthetic methods. This review covers the general introduction of EABs, as well as the applications of EABs in BESs, and the production of bio-hydrogen, high value chemicals and bio-inspired nanomaterials. Copyright © 2013 Elsevier Inc. All rights reserved.

Bio-Photoelectrochemical Solar Cells Incorporating Reaction Center and Reaction Center Plus Light Harvesting Complexes

Science.gov (United States)

Yaghoubi, Houman

Harvesting solar energy can potentially be a promising solution to the energy crisis now and in the future. However, material and processing costs continue to be the most important limitations for the commercial devices. A key solution to these problems might lie within the development of bio-hybrid solar cells that seeks to mimic photosynthesis to harvest solar energy and to take advantage of the low material costs, negative carbon footprint, and material abundance. The bio-photoelectrochemical cell technologies exploit biomimetic means of energy conversion by utilizing plant-derived photosystems which can be inexpensive and ultimately the most sustainable alternative. Plants and photosynthetic bacteria harvest light, through special proteins called reaction centers (RCs), with high efficiency and convert it into electrochemical energy. In theory, photosynthetic RCs can be used in a device to harvest solar energy and generate 1.1 V open circuit voltage and ~1 mA cm-2 short circuit photocurrent. Considering the nearly perfect quantum yield of photo-induced charge separation, efficiency of a protein-based solar cell might exceed 20%. In practice, the efficiency of fabricated devices has been limited mainly due to the challenges in the electron transfer between the protein complex and the device electrodes as well as limited light absorption. The overarching goal of this work is to increase the power conversion efficiency in protein-based solar cells by addressing those issues (i.e. electron transfer and light absorption). This work presents several approaches to increase the charge transfer rate between the photosynthetic RC and underlying electrode as well as increasing the light absorption to eventually enhance the external quantum efficiency (EQE) of bio-hybrid solar cells. The first approach is to decrease the electron transfer distance between one of the redox active sites in the RC and the underlying electrode by direct attachment of the of protein complex

Catalytic Water Oxidation by a Bio-inspired Nickel Complex with Redox Active Ligand

Science.gov (United States)

Wang, Dong; Bruner, Charlie O.

2017-01-01

The oxidation of water to dioxygen is important in natural photosynthesis. One of nature’s strategies for managing such multi-electron transfer reactions is to employ redox active metal-organic cofactor arrays. One prototype example is the copper-tyrosinate active site found in galactose oxidase. In this work, we have implemented such a strategy to develop a bio-inspired nickel-phenolate complex capable of catalyzing the oxidation of water to O2 electrochemically at neutral pH with a modest overpotential. The employment of the redox-active ligand turned out to be a useful strategy to avoid the formation of high-valent nickel intermediates while a reasonable turnover rate (0.15 s−1) is retained. PMID:29099176

Photobiology of Symbiodinium revisited: bio-physical and bio-optical signatures

Science.gov (United States)

Hennige, S. J.; Suggett, D. J.; Warner, M. E.; McDougall, K. E.; Smith, D. J.

2009-03-01

Light is often the most abundant resource within the nutrient-poor waters surrounding coral reefs. Consequently, zooxanthellae ( Symbiodinium spp.) must continually photoacclimate to optimise productivity and ensure coral success. In situ coral photobiology is becoming dominated by routine assessments using state-of-the-art non-invasive bio-optical or chlorophyll a fluorescence (bio-physical) techniques. Multiple genetic types of Symbiodinium are now known to exist; however, little focus has been given as to how these types differ in terms of characteristics that are observable using these techniques. Therefore, this investigation aimed to revisit and expand upon a pivotal study by Iglesias-Prieto and Trench (1994) by comparing the photoacclimation characteristics of different Symbiodinium types based on their bio-physical (chlorophyll a fluorescence, reaction centre counts) and bio-optical (optical absorption, pigment concentrations) ‘signatures’. Signatures described here are unique to Symbiodinium type and describe phenotypic responses to set conditions, and hence are not suitable to describe taxonomic structure of in hospite Symbiodinium communities. In this study, eight Symbiodinium types from clades and sub-clades (A-B, F) were grown under two PFDs (Photon Flux Density) and examined. The photoacclimation response by Symbiodinium was highly variable between algal types for all bio-physical and for many bio-optical measurements; however, a general preference to modifying reaction centre content over effective antennae-absorption was observed. Certain bio-optically derived patterns, such as light absorption, were independent of algal type and, when considered per photosystem, were matched by reaction centre stoichiometry. Only by better understanding genotypic and phenotypic variability between Symbiodinium types can future studies account for the relative taxonomic and physiological contribution by Symbiodinium to coral acclimation.

Multilevel Quantum Mechanics Theories and Molecular Mechanics Calculations of the Cl- + CH3I Reaction in Water.

Science.gov (United States)

Liu, Peng; Li, Chen; Wang, Dunyou

2017-10-19

The Cl - + CH 3 I → CH 3 Cl + I - reaction in water was studied using combined multilevel quantum mechanism theories and molecular mechanics with an explicit water solvent model. The study shows a significant influence of aqueous solution on the structures of the stationary points along the reaction pathway. A detailed, atomic-level evolution of the reaction mechanism shows a concerted one-bond-broken and one-bond-formed mechanism, as well as a synchronized charge-transfer process. The potentials of mean force calculated with the CCSD(T) and DFT treatments of the solute produce a free activation barrier at 24.5 and 19.0 kcal/mol, respectively, which agrees with the experimental one at 22.0 kcal/mol. The solvent effects have also been quantitatively analyzed: in total, the solvent effects raise the activation energy by 20.2 kcal/mol, which shows a significant impact on this reaction in water.

Analysis of kinetic reaction mechanisms

CERN Document Server

Turányi, Tamás

2014-01-01

Chemical processes in many fields of science and technology, including combustion, atmospheric chemistry, environmental modelling, process engineering, and systems biology, can be described by detailed reaction mechanisms consisting of numerous reaction steps. This book describes methods for the analysis of reaction mechanisms that are applicable in all these fields. Topics addressed include: how sensitivity and uncertainty analyses allow the calculation of the overall uncertainty of simulation results and the identification of the most important input parameters, the ways in which mechanisms can be reduced without losing important kinetic and dynamic detail, and the application of reduced models for more accurate engineering optimizations. This monograph is invaluable for researchers and engineers dealing with detailed reaction mechanisms, but is also useful for graduate students of related courses in chemistry, mechanical engineering, energy and environmental science and biology.

Influence of reaction conditions and the char separation system on the production of bio-oil from radiata pine sawdust by fast pyrolysis

Energy Technology Data Exchange (ETDEWEB)

Park, Hyun Ju; Park, Young-Kwon; Kim, Joo Sik [Faculty of Environmental Engineering, University of Seoul, 90 Jeonnong-Dong, Dondaemun-Gu, Seoul 130-743 (Korea)

2008-08-15

Radiata pine sawdust was pyrolyzed in a bubbling fluidized bed equipped with a char separation system. The influence of the reaction conditions on the production of bio-oil was investigated through the establishment of mass balance, and the examination of the products' chemical and physical characteristics. The optimal reaction temperature for the production of bio-oil was between 673 and 723 K, and the yield was above 50 wt.% of the product. An optimal feed size also existed. In a particle with a size that was less than 0.3 mm, the bio-oil yield decreased due to overheating, which led to gas formation. A higher flow rate and feeding rate were found to be more effective for the production of bio-oil, but did not significantly affect it. The main compounds of bio-oil were phenolics, including cresol, guaiacol, eugenol, benzendiol and their derivatives, ketones, and aldehydes. In addition, high-quality bio-oils, which contained less than 0.005 wt.% of solid, no ash and low concentrations of alkali and alkaline earth metals, were produced due to the char removal system. (author)

The pimeloyl-CoA synthetase BioW defines a new fold for adenylate-forming enzymes

Energy Technology Data Exchange (ETDEWEB)

Estrada, Paola; Manandhar, Miglena; Dong, Shi-Hui; Deveryshetty, Jaigeeth; Agarwal, Vinayak; Cronan, John E.; Nair, Satish K.

2017-04-17

Reactions that activate carboxylates through acyl-adenylate intermediates are found throughout biology and include acyl- and aryl-CoA synthetases and tRNA synthetases. Here we describe the characterization of Aquifex aeolicus BioW, which represents a new protein fold within the superfamily of adenylating enzymes. Substrate-bound structures identified the enzyme active site and elucidated the mechanistic strategy for conjugating CoA to the seven-carbon α,ω-dicarboxylate pimelate, a biotin precursor. Proper position of reactive groups for the two half-reactions is achieved solely through movements of active site residues, as confirmed by site-directed mutational analysis. The ability of BioW to hydrolyze adenylates of noncognate substrates is reminiscent of pre-transfer proofreading observed in some tRNA synthetases, and we show that this activity can be abolished by mutation of a single residue. These studies illustrate how BioW can carry out three different biologically prevalent chemical reactions (adenylation, thioesterification, and proofreading) in the context of a new protein fold.

Mechanical Behavior of Polymer Nano Bio Composite for Orthopedic Implants

Science.gov (United States)

Marimuthu, K., Dr.; Rajan, Sankar

2018-04-01

The bio-based polymer composites have been the focus of many scientific and research projects, as well as many commercial programs. In recent years, scientists and engineers have been working together to use the inherent strength and performance of the new class of bio-based composites which is compactable with human body and can act as a substitute for living cells. In this stage the polymer composites also stepped into human bone implants as a replacement for metallic implants which was problems like corrosion resistance and high cost. The polymer composite have the advantage that it can be molded to the required shape, the polymers have high corrosion resistance, less weight and low cost. The aim of this research is to develop and analyze the suitable bio compactable polymer composite for human implants. The nano particles reinforced polymer composites provides good mechanical properties and shows good tribological properties especially in the total hip and knee replacements. The graphene oxide powders are bio compactable and acts as anti biotic. GO nano powder where reinforced into High-density polyethylene in various weight percentage of 0.5% to 2%. The performance of GO nano powder shows better tribological properties. The material produced does not cause any pollution to the environment and at the same time it can be bio compactable and sustainable. The product will act environmentally friendly.

Reaction mechanisms of ruthenium tetroxide mediated oxidations of organic compounds

Energy Technology Data Exchange (ETDEWEB)

Froehaug, Astrid Elisabeth

1995-12-31

This thesis reports a study of the mechanism of ruthenium tetroxide mediated oxidations of saturated hydrocarbons, ethers, alkenes and alcohols. Several methods were used. The RuO{sub 4}-mediated oxidations of adamantane and cis-decalin were studied in CCl{sub 4}-CH{sub 3}CN-H{sub 2}O and in acetone-water. The rate of reaction was found to be moderately influenced by the polarity of the solvent. Solvent properties other than the polarity were also found to influence the reaction rates. From the oxidations of adamantane and adamantane-1,3,5,7-d{sub 4} two primary kinetic deuterium isotope effects were found. These were comparable with the deuterium isotope effects found for the analogous oxidations of cis-decalin and cis-decalin-d{sub 18}. The results seem to exclude both a one step hydride abstraction reaction mechanism and a one step concerted mechanism, as well as a scheme where two such mechanisms compete. The observations may be explained by a two step reaction mechanism consisting of a pre-equilibrium with formation of a substrate-RuO{sub 4} complex followed by a concerted rate determining reaction. The RuO{sub 4}-mediated oxidation of ethers was of kinetic second order with a small enthalpy of activation and a large negative entropy of activation. Oxidation of cyclopropylmethyl methyl ether gave methyl cyclopropanecarboxylate, no rearranged products were observed. On RuO{sub 4} oxidations in CCl{sub 4} with NaIO{sub 4} as stoichiometric oxidant, no chlorinated products were observed. Several observations not in agreement with a hydride or a hydrogen abstraction mechanism may be explained by assuming that the reaction proceeds by either a concerted reaction or by a reversible oxidative addition of the ether to RuO{sub 4} followed by a slow concerted step. 228 refs., 9 figs., 27 tabs.

Quantum Mechanics/Molecular Mechanics Study of the Sialyltransferase Reaction Mechanism.

Science.gov (United States)

Hamada, Yojiro; Kanematsu, Yusuke; Tachikawa, Masanori

2016-10-11

The sialyltransferase is an enzyme that transfers the sialic acid moiety from cytidine 5'-monophospho-N-acetyl-neuraminic acid (CMP-NeuAc) to the terminal position of glycans. To elucidate the catalytic mechanism of sialyltransferase, we explored the potential energy surface along the sialic acid transfer reaction coordinates by the hybrid quantum mechanics/molecular mechanics method on the basis of the crystal structure of sialyltransferase CstII. Our calculation demonstrated that CstII employed an S N 1-like reaction mechanism via the formation of a short-lived oxocarbenium ion intermediate. The computational barrier height was 19.5 kcal/mol, which reasonably corresponded with the experimental reaction rate. We also found that two tyrosine residues (Tyr156 and Tyr162) played a vital role in stabilizing the intermediate and the transition states by quantum mechanical interaction with CMP.

Neutralization of Aerosolized Bio-Agents by Filled Nanocomposite Materials through Thermal and Chemical Inactivation Mechanisms

Science.gov (United States)

2016-06-01

Bio -agents by Filled Nanocomposite Materials through Thermal and Chemical Inactivation Mechanisms Distribution Statement A. Approved for public...of Cincinnati Project Title: Neutralization of Aerosolized Bio -agents by Filled Nanocomposite Materials through Thermal and Chemical Inactivation...fire ball, where they will not effectively interact with any viable bio -aerosol. 1.1.4. Conclusions Cryo-milling is necessary to achieve a

Agrice 2004. Activity report - from bio-resources to industry

International Nuclear Information System (INIS)

2005-01-01

It has been ten years since AGRICE was founded to support technological research in the field of bio-products. Even if bio-products are indeed a commercial reality, and growing in diversity, they are still marginal in the marketplace. However, the amplification of the greenhouse effect, our increasing energy dependence, the inexorable rise in oil prices, international competition and the emergence of a genuine political awareness are all factors that converge in favour of bio-products, offering a promising future. Of course, the development of bio-products is dependent on a number of conditions: biomass resources, technological advances, mobilisation of actors through dynamic research programmes (conversion of lignocellulosic biomass for alternative fuels or hydrogen, bio-technology applied to chemicals), new agro-industrial supply chains, financial instruments to bridge the cost gap with fossil fuels, a national strategy supported by a public authority dedicated to non-food uses. In the immediate future, the recent decision to open up the biofuels market via implementation of the European biofuels directive (5.75% of the market in 2010) provides an opportunity to lay the groundwork for a veritable industry of plant-based products, opening the way to the bio-refineries of the future. There is considerable potential for the development of bio-products in France. An additional 25 to 30 million tonnes-oil-equivalent (toe) of agricultural and forestry biomass could be processed into energy and industrial bio-products in France. Accordingly we can set our sights on an overall objective of substituting plant feedstocks for petroleum used in fuels and chemicals, on the order of 10% in 2020, and 20 to 30% by 2030-2050. To achieve these goals many technological advances will be necessary, with constant attention to the requirements of sustainable development. In this respect AGRICE is an invaluable tool for guiding, catalysing and supporting research efforts in these fields

BioGPS descriptors for rational engineering of enzyme promiscuity and structure based bioinformatic analysis.

Directory of Open Access Journals (Sweden)

Valerio Ferrario

Full Text Available A new bioinformatic methodology was developed founded on the Unsupervised Pattern Cognition Analysis of GRID-based BioGPS descriptors (Global Positioning System in Biological Space. The procedure relies entirely on three-dimensional structure analysis of enzymes and does not stem from sequence or structure alignment. The BioGPS descriptors account for chemical, geometrical and physical-chemical features of enzymes and are able to describe comprehensively the active site of enzymes in terms of "pre-organized environment" able to stabilize the transition state of a given reaction. The efficiency of this new bioinformatic strategy was demonstrated by the consistent clustering of four different Ser hydrolases classes, which are characterized by the same active site organization but able to catalyze different reactions. The method was validated by considering, as a case study, the engineering of amidase activity into the scaffold of a lipase. The BioGPS tool predicted correctly the properties of lipase variants, as demonstrated by the projection of mutants inside the BioGPS "roadmap".

Applicability of the Reaction Layer Principle to Nanoparticulate Metal Complexes at a Macroscopic Reactive (Bio)Interface

NARCIS (Netherlands)

Duval, Jérôme F.L.; Town, Raewyn M.; Leeuwen, Van Herman P.

2017-01-01

The reaction layer concept is commonly adopted to estimate the contribution of metal complexes to the flux of free metal ions (M) toward a macroscopic M-accumulating (bio)interface, e.g., a biosurface (microorganism) or a sensor (electrode). This concept is well-established for molecular ligands

Investigation of the CH3Cl + CN(-) reaction in water: Multilevel quantum mechanics/molecular mechanics study.

Science.gov (United States)

Xu, Yulong; Zhang, Jingxue; Wang, Dunyou

2015-06-28

The CH3Cl + CN(-) reaction in water was studied using a multilevel quantum mechanics/molecular mechanics (MM) method with the multilevels, electrostatic potential, density functional theory (DFT) and coupled-cluster single double triple (CCSD(T)), for the solute region. The detailed, back-side attack SN2 reaction mechanism was mapped along the reaction pathway. The potentials of mean force were calculated under both the DFT and CCSD(T) levels for the reaction region. The CCSD(T)/MM level of theory presents a free energy activation barrier height at 20.3 kcal/mol, which agrees very well with the experiment value at 21.6 kcal/mol. The results show that the aqueous solution has a dominant role in shaping the potential of mean force. The solvation effect and the polarization effect together increase the activation barrier height by ∼11.4 kcal/mol: the solvation effect plays a major role by providing about 75% of the contribution, while polarization effect only contributes 25% to the activation barrier height. Our calculated potential of mean force under the CCSD(T)/MM also has a good agreement with the one estimated using data from previous gas-phase studies.

Catalytic biorefining of plant biomass to non-pyrolytic lignin bio-oil and carbohydrates through hydrogen transfer reactions.

Science.gov (United States)

Ferrini, Paola; Rinaldi, Roberto

2014-08-11

Through catalytic hydrogen transfer reactions, a new biorefining method results in the isolation of depolymerized lignin--a non-pyrolytic lignin bio-oil--in addition to pulps that are amenable to enzymatic hydrolysis. Compared with organosolv lignin, the lignin bio-oil is highly susceptible to further hydrodeoxygenation under low-severity conditions and therefore establishes a unique platform for lignin valorization by heterogeneous catalysis. Overall, the potential of a catalytic biorefining method designed from the perspective of lignin utilization is reported. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Pairing mechanism in Bi-O superconductors: A finite-size chain calculation

International Nuclear Information System (INIS)

Aligia, A.A.; Nunez Regueiro, M.D.; Gagliano, E.R.

1989-01-01

We have studied the pairing mechanism in BiO 3 systems by calculating the binding energy of a pair of holes in finite Bi-O chains, for parameters that simulate three-dimensional behavior. In agreement with previous results using perturbation theory in the hopping t, for covalent Bi-O binding and parameters for which the parent compound has a disproportionate ground state, pairing induced by the presence of biexcitons is obtained for sufficiently large interatomic Coulomb repulsion. The analysis of appropriate correlation functions shows a rapid metallization of the system as t and the number of holes increase. This fact shrinks the region of parameters for which the finite-size calculations can be trusted without further study. The same model for other parameters yields pairing in two other regimes: bipolaronic and magnetic excitonic

Alkaline hydrothermal liquefaction of swine carcasses to bio-oil

Energy Technology Data Exchange (ETDEWEB)

Zheng, Ji-Lu, E-mail: triace@163.com; Zhu, Ming-Qiang; Wu, Hai-tang

2015-09-15

Highlights: • Swine carcasses can be converted to bio-oil by alkaline hydrothermal liquefaction. • It seems that the use of the bio-oil for heat or CHP is technically suitable. • Some valuable chemicals were found in the bio-oils. • The bio-oil and the solid residue constituted an energy efficiency of 93.63% for the feedstock. • The solid residue can be used as a soil amendment, to sequester C and for preparing activated carbon. - Abstract: It is imperative that swine carcasses are disposed of safely, practically and economically. Alkaline hydrothermal liquefaction of swine carcasses to bio-oil was performed. Firstly, the effects of temperature, reaction time and pH value on the yield of each liquefaction product were determined. Secondly, liquefaction products, including bio-oil and solid residue, were characterized. Finally, the energy recovery ratio (ERR), which was defined as the energy of the resultant products compared to the energy input of the material, was investigated. Our experiment shows that reaction time had certain influence on the yield of liquefaction products, but temperature and pH value had bigger influence on the yield of liquefaction products. Yields of 62.2 wt% bio-oil, having a high heating value of 32.35 MJ/kg and a viscosity of 305cp, and 22 wt% solid residue were realized at a liquefaction temperature of 250 °C, a reaction time of 60 min and a pH value of 9.0. The bio-oil contained up to hundreds of different chemical components that may be classified according to functional groups. Typical compound classes in the bio-oil were hydrocarbons, organic acids, esters, ketones and heterocyclics. The energy recovery ratio (ERR) reached 93.63%. The bio-oil is expected to contribute to fossil fuel replacement in stationary applications, including boilers and furnaces, and upgrading processes for the bio-oil may be used to obtain liquid transport fuels.

Alkaline hydrothermal liquefaction of swine carcasses to bio-oil

International Nuclear Information System (INIS)

Zheng, Ji-Lu; Zhu, Ming-Qiang; Wu, Hai-tang

2015-01-01

Highlights: • Swine carcasses can be converted to bio-oil by alkaline hydrothermal liquefaction. • It seems that the use of the bio-oil for heat or CHP is technically suitable. • Some valuable chemicals were found in the bio-oils. • The bio-oil and the solid residue constituted an energy efficiency of 93.63% for the feedstock. • The solid residue can be used as a soil amendment, to sequester C and for preparing activated carbon. - Abstract: It is imperative that swine carcasses are disposed of safely, practically and economically. Alkaline hydrothermal liquefaction of swine carcasses to bio-oil was performed. Firstly, the effects of temperature, reaction time and pH value on the yield of each liquefaction product were determined. Secondly, liquefaction products, including bio-oil and solid residue, were characterized. Finally, the energy recovery ratio (ERR), which was defined as the energy of the resultant products compared to the energy input of the material, was investigated. Our experiment shows that reaction time had certain influence on the yield of liquefaction products, but temperature and pH value had bigger influence on the yield of liquefaction products. Yields of 62.2 wt% bio-oil, having a high heating value of 32.35 MJ/kg and a viscosity of 305cp, and 22 wt% solid residue were realized at a liquefaction temperature of 250 °C, a reaction time of 60 min and a pH value of 9.0. The bio-oil contained up to hundreds of different chemical components that may be classified according to functional groups. Typical compound classes in the bio-oil were hydrocarbons, organic acids, esters, ketones and heterocyclics. The energy recovery ratio (ERR) reached 93.63%. The bio-oil is expected to contribute to fossil fuel replacement in stationary applications, including boilers and furnaces, and upgrading processes for the bio-oil may be used to obtain liquid transport fuels

The chemistry of the carbothermal synthesis of β-SiC : reaction mechanism, reaction rate and grain growth

NARCIS (Netherlands)

van Dijen, F.K.; Metselaar, R.

1991-01-01

Evidence is given that in the present case the reaction mechanism of ß-SiC formation from silica and carbon is a direct solid-state reaction in which silica migrates over the silicon carbide surface to the carbon. A high value (440 kJ/mol) of activation energy is obtained for this reaction. This

Surface-Activated Coupling Reactions Confined on a Surface.

Science.gov (United States)

Dong, Lei; Liu, Pei Nian; Lin, Nian

2015-10-20

Chemical reactions may take place in a pure phase of gas or liquid or at the interface of two phases (gas-solid or liquid-solid). Recently, the emerging field of "surface-confined coupling reactions" has attracted intensive attention. In this process, reactants, intermediates, and products of a coupling reaction are adsorbed on a solid-vacuum or a solid-liquid interface. The solid surface restricts all reaction steps on the interface, in other words, the reaction takes place within a lower-dimensional, for example, two-dimensional, space. Surface atoms that are fixed in the surface and adatoms that move on the surface often activate the surface-confined coupling reactions. The synergy of surface morphology and activity allow some reactions that are inefficient or prohibited in the gas or liquid phase to proceed efficiently when the reactions are confined on a surface. Over the past decade, dozens of well-known "textbook" coupling reactions have been shown to proceed as surface-confined coupling reactions. In most cases, the surface-confined coupling reactions were discovered by trial and error, and the reaction pathways are largely unknown. It is thus highly desirable to unravel the mechanisms, mechanisms of surface activation in particular, of the surface-confined coupling reactions. Because the reactions take place on surfaces, advanced surface science techniques can be applied to study the surface-confined coupling reactions. Among them, scanning tunneling microscopy (STM) and X-ray photoelectron spectroscopy (XPS) are the two most extensively used experimental tools. The former resolves submolecular structures of individual reactants, intermediates, and products in real space, while the latter monitors the chemical states during the reactions in real time. Combination of the two methods provides unprecedented spatial and temporal information on the reaction pathways. The experimental findings are complemented by theoretical modeling. In particular, density

Reaction mechanisms

International Nuclear Information System (INIS)

Nguyen Trong Anh

1988-01-01

The 1988 progress report of the Reaction Mechanisms laboratory (Polytechnic School, France), is presented. The research topics are: the valence bond methods, the radical chemistry, the modelling of the transition states by applying geometric constraints, the long range interactions (ion - molecule) in gaseous phase, the reaction sites in gaseous phase and the mass spectroscopy applications. The points of convergence between the investigations of the mass spectroscopy and the theoretical chemistry teams, as well as the purposes guiding the research programs, are discussed. The published papers, the conferences, the congress communications and the thesis, are also reported [fr

Reaction pathway and oxidation mechanisms of dibutyl phthalate by persulfate activated with zero-valent iron

Energy Technology Data Exchange (ETDEWEB)

Li, Huanxuan [School of Environment and Energy, South China University of Technology, Guangzhou 510006 (China); The Key Lab of Pollution Control and Ecosystem Restoration in Industry Clusters, Ministry of Education, China, Guangzhou 510640 (China); Wan, Jinquan, E-mail: ppjqwan@scut.edu.cn [School of Environment and Energy, South China University of Technology, Guangzhou 510006 (China); The Key Lab of Pollution Control and Ecosystem Restoration in Industry Clusters, Ministry of Education, China, Guangzhou 510640 (China); State Key Lab Pulp and Paper Engineering, South China University of Technology, Guangzhou 510640 (China); Ma, Yongwen [School of Environment and Energy, South China University of Technology, Guangzhou 510006 (China); The Key Lab of Pollution Control and Ecosystem Restoration in Industry Clusters, Ministry of Education, China, Guangzhou 510640 (China); State Key Lab Pulp and Paper Engineering, South China University of Technology, Guangzhou 510640 (China); Wang, Yan [School of Environment and Energy, South China University of Technology, Guangzhou 510006 (China); The Key Lab of Pollution Control and Ecosystem Restoration in Industry Clusters, Ministry of Education, China, Guangzhou 510640 (China)

2016-08-15

This study investigated reaction pathway and oxidation mechanisms of dibutyl phthalate (DBP) by persulfate (PS) activated with zero-valent iron (ZVI). The DBP degradation was studied at three pH values (acidic, neutral and basic) in the presence of different organic scavengers. Using a chemical probe method, both sulfate radical (SO{sub 4}·{sup −}) and hydroxyl radical (·OH) were found to be primary oxidants at pH 3.0 and pH 7.0, respectively while ·OH was the major specie to oxidize DBP at pH 11.0. A similar result was found in an experiment of Electron Spin Resonance spin-trapping where in addition to ·OH, superoxide radical (O{sub 2}·{sup −}) was detected at pH 11.0. The transformation of degradation products including dimethyl phthalate (DMP), diethyl phthalate (DEP), phthalic anhydride, and acetophenone exhibited diverse variation during the reaction processes. The phthalic anhydride concentration appeared to be maximum at all pHs. Another eleven intermediate products were also found at pH 3.0 by GC–MS and HPLC analysis, and their degradation mechanisms and pathways were proposed. It was suggested that dealkylation, hydroxylation, decarboxylation and hydrogen extraction were the dominant degradation mechanisms of DBP at pH 3.0. - Highlights: • Both SO{sub 4}{sup −}· and ·OH were found to be the major active species at pH 3.0 and pH 7.0. • ·OH and ·O2– were the primary oxidants pH 11.0. • The intermediate products were investigated as well as the degradation pathway. • Dealkylation, hydroxylation, decarboxylation, H-extraction were the major mechanisms.

Catalytic Water Oxidation by a Bio-inspired Nickel Complex with a Redox-Active Ligand.

Science.gov (United States)

Wang, Dong; Bruner, Charlie O

2017-11-20

The oxidation of water (H 2 O) to dioxygen (O 2 ) is important in natural photosynthesis. One of nature's strategies for managing such multi-electron transfer reactions is to employ redox-active metal-organic cofactor arrays. One prototype example is the copper tyrosinate active site found in galactose oxidase. In this work, we have implemented such a strategy to develop a bio-inspired nickel phenolate complex capable of catalyzing the oxidation of H 2 O to O 2 electrochemically at neutral pH with a modest overpotential. Employment of the redox-active ligand turned out to be a useful strategy to avoid the formation of high-valent nickel intermediates while a reasonable turnover rate (0.15 s -1 ) is retained.

Reaction mechanisms of metal complexes

CERN Document Server

Hay, R W

2000-01-01

This text provides a general background as a course module in the area of inorganic reaction mechanisms, suitable for advanced undergraduate and postgraduate study and/or research. The topic has important research applications in the metallurgical industry and is of interest in the science of biochemistry, biology, organic, inorganic and bioinorganic chemistry. In addition to coverage of substitution reactions in four-, five- and six-coordinate complexes, the book contains further chapters devoted to isomerization and racemization reactions, to the general field of redox reactions, and to the reactions of coordinated ligands. It is relevant in other fields such as organic, bioinorganic and biological chemistry, providing a bridge to organic reaction mechanisms. The book also contains a chapter on the kinetic background to the subject with many illustrative examples which should prove useful to those beginning research. Provides a general background as a course module in the area of inorganic reaction mechanis...

Study of the oxygen reduction reaction on stainless steel materials in natural seawater. Influence of the bio-film on corrosion processes; Reaction de reduction de l'oxygene sur les aciers inoxydables en eau de mer naturelle. Influence du biofilm sur les processus de corrosion

Energy Technology Data Exchange (ETDEWEB)

Le Bozec, N

2000-01-15

Bio-film development on stainless steels immersed in natural seawater can have prejudicial consequences on the resistance of these materials to corrosion. The goal of the present study was to get more precise information on the corrosion processes, and especially on the oxygen reduction reaction. As the reaction is linked to the stainless steel surface state, the characterisation of the oxides films (composition, structure, thickness...) is essential to understand the mechanisms and the oxygen reduction kinetic. The first aim of the study has been to correlate the oxygen reduction processes with the characteristics of the oxides layer as a function of the alloy surface treatment (mechanical polishing, electrochemical passivation and pre-reduction, chemical treatment with some acids or with hydrogen peroxide). The second stage has consisted in following the evolution of the oxygen reduction processes and of the characteristics of the oxides layer with the aging of stainless steels in natural and artificial sea-waters. One major bio-film effect appears to be the production of hydrogen peroxide at a concentration level which induces modifications of the oxides layers and, consequently, of the evolution of the oxygen reduction kinetics as well as of the open circuit potential. Electrochemical techniques (voltammetric analysis at rotating disk and ring-disk electrodes, coulometry) combined with a surface analytical method by X-ray photoelectron spectroscopy have been used. The characterisation of the bio-film required the use of microscopy (scanning electronic microscopy, epi-fluorescence microscopy) and microbiological methods (cultures). The in-situ detection of hydrogen peroxide formed inside the bio-film has been performed with a micro-electrode and the results were confirmed with enzymatic methods. (author)

Study of the oxygen reduction reaction on stainless steel materials in natural seawater. Influence of the bio-film on corrosion processes; Reaction de reduction de l'oxygene sur les aciers inoxydables en eau de mer naturelle. Influence du biofilm sur les processus de corrosion

Energy Technology Data Exchange (ETDEWEB)

Le Bozec, N

2000-01-15

Bio-film development on stainless steels immersed in natural seawater can have prejudicial consequences on the resistance of these materials to corrosion. The goal of the present study was to get more precise information on the corrosion processes, and especially on the oxygen reduction reaction. As the reaction is linked to the stainless steel surface state, the characterisation of the oxides films (composition, structure, thickness...) is essential to understand the mechanisms and the oxygen reduction kinetic. The first aim of the study has been to correlate the oxygen reduction processes with the characteristics of the oxides layer as a function of the alloy surface treatment (mechanical polishing, electrochemical passivation and pre-reduction, chemical treatment with some acids or with hydrogen peroxide). The second stage has consisted in following the evolution of the oxygen reduction processes and of the characteristics of the oxides layer with the aging of stainless steels in natural and artificial sea-waters. One major bio-film effect appears to be the production of hydrogen peroxide at a concentration level which induces modifications of the oxides layers and, consequently, of the evolution of the oxygen reduction kinetics as well as of the open circuit potential. Electrochemical techniques (voltammetric analysis at rotating disk and ring-disk electrodes, coulometry) combined with a surface analytical method by X-ray photoelectron spectroscopy have been used. The characterisation of the bio-film required the use of microscopy (scanning electronic microscopy, epi-fluorescence microscopy) and microbiological methods (cultures). The in-situ detection of hydrogen peroxide formed inside the bio-film has been performed with a micro-electrode and the results were confirmed with enzymatic methods. (author)

Two-step microalgal biodiesel production using acidic catalyst generated from pyrolysis-derived bio-char

International Nuclear Information System (INIS)

Dong, Tao; Gao, Difeng; Miao, Chao; Yu, Xiaochen; Degan, Charles; Garcia-Pérez, Manuel; Rasco, Barbara; Sablani, Shyam S.; Chen, Shulin

2015-01-01

Highlights: • Highly active catalyst was prepared using bio-char co-produced in Auger pyrolysis. • Catalyst inhibitors in crude oil were effectively removed by a practical refinery process. • Free fatty acids (FFA) content in refined microalgal oil was reduced to less than 0.5%. • A total fatty acid methyl ester (FAME) yield of 99% was obtained via a two-step process. • The inexpensive bio-char catalyst is superior to Amberlyst-15 in pre-esterification. - Abstract: An efficient process for biodiesel production from fast-refined microalgal oil was demonstrated. A low cost catalyst prepared from pyrolysis-derived bio-char, was applied in pre-esterification to reduce free fatty acid (FFA) content. Results showed that the bio-char catalyst was highly active in esterification; however, the performance of the catalyst significantly reduced when crude microalgal oil was used as feedstock. To solve the problem caused by catalyst-fouling, a fast and scalable crude oil refinery procedure was carried out to remove chlorophyll and phospholipids that might degrade the catalyst and the quality of biodiesel. The activity and reusability of bio-char catalyst were remarkably improved in the fast-refined oil. FFA content in the refined microalgal oil was reduced to less than 0.5% after pre-esterification. The bio-char catalyst could be reused for 10 cycles without dramatic loss in activity. The pre-esterification fits the first-order kinetic reaction with activation energy of 42.16 kJ/mol. The activity of bio-char catalyst was superior to commercial Amberlyst-15 under the same reaction condition. A total fatty acid methyl ester (FAME, namely biodiesel) yield of 99% was obtained following the second-step CaO-catalyzed transesterification. The cost-effective bio-char catalyst has great potential for biodiesel production using feedstocks having high FFA content.

Kinetics of Bio-Reactions

DEFF Research Database (Denmark)

Villadsen, John

2015-01-01

his chapter predicts the specific rates of reaction by means of a mathematical expression, the kinetics of the reaction. This expression can be derived through a mechanistic interpretation of an enzymatically catalyzed reaction, but it is essentially of empirical nature for cell reactions. The mo...

Influence of enzymatic reactions on the electrochemical behavior of EN X2CrNiMo17-11-2 (AISI 316L) stainless steel in bio-corrosion: role of interfacial processes on the modification of the passive layer

International Nuclear Information System (INIS)

Landoulsi, J.

2008-01-01

The outstanding corrosion behavior of stainless steels (SS) results from the presence of thin oxide layer (some nanometers). In non sterile aqueous media, stainless steels may exhibit a non stable behavior resulting from interactions between microbial species and passive film. In fact, microorganisms can be deeply involved in the corrosion processes usually reported as Microbial Influenced Corrosion (MIC). They can induce the initiation or the acceleration of this phenomenon and they do so when organized in bio-films. From the electrochemical point of view, stainless steels showed an increase of the free corrosion potential (Ecorr) attributed to the bio-film settlement. The Eco' ennoblement was broadly reported in seawater and seems to be confirmed in fresh water according to recent findings. A considerable progress in the comprehension of MIC processes was related to the role of extracellular species, essentially enzymes. Many enzymatic reactions occurring in bio-films consist on using oxygen as electron acceptor to generate hydrogen peroxide and related species. The aim of this work is to understand the mechanisms involved in the electrochemical behavior of stainless steel according to an enzymatic approach in medium simulating fresh water. To this end, glucose oxidase was chosen to globalize aerobic activities of bio-films. Electrochemical measurements in situ and surface analysis allow the comprehension of the role and the nature of interfacial processes. Surface characterization was performed with the help of a new quantitative utilization of XPS analysis and AFM. Results show a significant evolution in term of morphology (surface organization), (ii) chemical composition (passive layer, adsorbed organic species) and (iii) chemical reaction (oxidation, dissolution, effect of enzyme). Finally, a new enzymatic system is proposed to mimic specific physicochemical conditions at the SS / bio-film interface, in particular enzymatic generation of oxidant species in

Hadron reaction mechanisms

International Nuclear Information System (INIS)

Collins, P.D.B.; Martin, A.D.

1982-01-01

The mechanism of hadron scattering at high energies are reviewed in such a way as to combine the ideas of the parton model and quantum chromodynamics (QCD) with Regge theory and phenomenology. After a brief introduction to QCD and the basic features of hadron scattering data, scaling and the dimensional counting rules, the parton structure of hadrons, and the parton model for large momentum transfer processes, including scaling violations are discussed. Hadronic jets and the use of parton ideas in soft scattering processes are examined, attention being paid to Regge theory and its applications in exclusive and inclusive reactions, the relationship to parton exchange being stressed. The mechanisms of hadron production which build up cross sections, and hence the underlying Regge singularities, and the possible overlap of Regge and scaling regions are discussed. It is concluded that the key to understanding hadron reaction mechanisms seems to lie in the marriage of Regge theory with QCD. (author)

Bio-mimetic mechanisms of natural hierarchical materials: a review.

Science.gov (United States)

Chen, Qiang; Pugno, Nicola M

2013-03-01

Natural selection and evolution develop a huge amount of biological materials in different environments (e.g. lotus in water and opuntia in desert). These biological materials possess many inspiring properties, which hint scientists and engineers to find some useful clues to create new materials or update the existing ones. In this review, we highlight some well-studied (e.g. nacre shell) and newly-studied (e.g. turtle shell) natural materials, and summarize their hierarchical structures and mechanisms behind their mechanical properties, from animals to plants. These fascinating mechanisms suggest to researchers to investigate natural materials deeply and broadly, and to design or fabricate new bio-inspired materials to serve our life. Copyright © 2012 Elsevier Ltd. All rights reserved.

Exploring chemical reaction mechanisms through harmonic Fourier beads path optimization.

Science.gov (United States)

Khavrutskii, Ilja V; Smith, Jason B; Wallqvist, Anders

2013-10-28

Here, we apply the harmonic Fourier beads (HFB) path optimization method to study chemical reactions involving covalent bond breaking and forming on quantum mechanical (QM) and hybrid QM∕molecular mechanical (QM∕MM) potential energy surfaces. To improve efficiency of the path optimization on such computationally demanding potentials, we combined HFB with conjugate gradient (CG) optimization. The combined CG-HFB method was used to study two biologically relevant reactions, namely, L- to D-alanine amino acid inversion and alcohol acylation by amides. The optimized paths revealed several unexpected reaction steps in the gas phase. For example, on the B3LYP∕6-31G(d,p) potential, we found that alanine inversion proceeded via previously unknown intermediates, 2-iminopropane-1,1-diol and 3-amino-3-methyloxiran-2-ol. The CG-HFB method accurately located transition states, aiding in the interpretation of complex reaction mechanisms. Thus, on the B3LYP∕6-31G(d,p) potential, the gas phase activation barriers for the inversion and acylation reactions were 50.5 and 39.9 kcal∕mol, respectively. These barriers determine the spontaneous loss of amino acid chirality and cleavage of peptide bonds in proteins. We conclude that the combined CG-HFB method further advances QM and QM∕MM studies of reaction mechanisms.

Stabilization of Empty Fruit Bunch derived Bio-oil using Solvents

Directory of Open Access Journals (Sweden)

Chung Loong Yiin

2016-03-01

Full Text Available The intention of this research was to select the ideal condition for accelerated aging of bio-oil and the consequences of additive in stabilizing the bio-oil. The bio-oil was produced from the catalytic pyrolysis of empty fruit bunch. The optimum reaction conditions applied to obtain the utmost bio-oil yield were 5 wt% of H-Y catalyst at reaction temperature of 500 °C and nitrogen flow rate of 100 ml/min. A 10 wt% of solvents including acetone, ethanol, and ethyl acetate were used to study the bio-oil’s stability. All the test samples were subjected to accelerated aging at temperature of 80 oC for 7 days. The properties of samples used as the indicator of aging were viscosity and water content. The effectiveness of solvents increased in the following order: acetone, ethyl acetate, and 95 vol% ethanol. Based on the result of Gas chromatography-mass spectrometry (GC-MS, it could impede the chain of polymerization by converting the active units in the oligomer chain to inactive units. The solvent reacted to form low molecular weight products which resulted in lower viscosity and lessen the water content in bio-oil. Addition of 95 vol% ethanol also inhibited phase separation.

Pyrolysis of de-oiled seed cake of Jatropha Curcas and catalytic steam reforming of pyrolytic bio-oil to hydrogen.

Science.gov (United States)

Renny, Andrew; Santhosh, Viswanathan; Somkuwar, Nitin; Gokak, D T; Sharma, Pankaj; Bhargava, Sanjay

2016-11-01

The aim of this work was to study the pyrolysis of de-oiled seed cake of Jatropha Curcas and catalytic steam reforming of pyrolytic bio-oil to hydrogen. As per literature, presence of heavy nitrogenous and oxygenated compounds leads to catalyst deactivation. Here, an attempt has been made to tune pyrolytic reactions to optimize the N and O content of the pyrolytic bio-oil. Bio-oil conversion and hydrogen yield decreased as reaction progressed, which attributes to temporary loss of catalytic activity by blockage of catalyst pores by carbon deposition. Further, retention of steam reforming activity after repetitive steam activation suggests long-term catalyst usage. Copyright © 2016 Elsevier Ltd. All rights reserved.

Getting a line on commercial advertising : a bio-informational approach to study pleasure and arousal reactions to ads

NARCIS (Netherlands)

Poels, K.; Dewitte, S.

2008-01-01

The bio-informational theory of emotion contends that pleasure and arousal reactions are organized around two universal motivational systems: an appetitive and a defensive motivational system. This paper posits that the appetitive motivation, reflected by a tight linear relation between pleasure and

Activation of the concrete in the bio shield of ITER

International Nuclear Information System (INIS)

Kalcheva, S.

2005-02-01

Calculations of neutron spectra in different parts of the tokamak building of ITER are performed. A computational geometry model of the tokamak building is prepared using MCNP-4C. The model includes adequate material composition and geometry description of the main parts of the tokamak for PPCS plant model A: toroidal field coils, vacuum vessel, shield, blanket structure, first wall, divertor, 14.1 MeV neutron source. The design and the dimensions of the bio shield are taken from the current ITER design. MCNP calculations of the neutron spectra in the bio shield (concrete) of ITER are performed, using the neutron spectra in TF coils calculated at UKAEA as external neutron source. The neutron spectra in the concrete calculated by MCNP are used as input data in the code EASY99 for estimations of the activation of the concrete in the bio shield around the tokamak. The time evolutions of the maximum (in the bio shield floor) and minimum (in the bio shield side walls) specific activity (Bq/kg) and dose rate (Sv/h.) of the main dominant nuclides in the concrete are evaluated and compared for 3 different concrete types, used as biological shield in the PWR and BR3 reactors. (author)

Activating catalysts with mechanical force

NARCIS (Netherlands)

Piermattei, A.; Karthikeyan, S.; Sijbesma, R.P.

2009-01-01

Homogeneously catalysed reactions can be ‘switched on’ by activating latent catalysts. Usually, activation is brought about by heat or an external chemical agent. However, activation of homogeneous catalysts with a mechanical trigger has not been demonstrated. Here, we introduce a general method to

Reaction mechanism and reaction coordinates from the viewpoint of energy flow

Energy Technology Data Exchange (ETDEWEB)

Li, Wenjin; Ma, Ao, E-mail: aoma@uic.edu [Department of Bioengineering, The University of Illinois at Chicago, 851 South Morgan Street, Chicago, Illinois 60607 (United States)

2016-03-21

Reaction coordinates are of central importance for correct understanding of reaction dynamics in complex systems, but their counter-intuitive nature made it a daunting challenge to identify them. Starting from an energetic view of a reaction process as stochastic energy flows biased towards preferred channels, which we deemed the reaction coordinates, we developed a rigorous scheme for decomposing energy changes of a system, both potential and kinetic, into pairwise components. The pairwise energy flows between different coordinates provide a concrete statistical mechanical language for depicting reaction mechanisms. Application of this scheme to the C{sub 7eq} → C{sub 7ax} transition of the alanine dipeptide in vacuum revealed novel and intriguing mechanisms that eluded previous investigations of this well studied prototype system for biomolecular conformational dynamics. Using a cost function developed from the energy decomposition components by proper averaging over the transition path ensemble, we were able to identify signatures of the reaction coordinates of this system without requiring any input from human intuition.

Reaction mechanism and reaction coordinates from the viewpoint of energy flow

International Nuclear Information System (INIS)

Li, Wenjin; Ma, Ao

2016-01-01

Reaction coordinates are of central importance for correct understanding of reaction dynamics in complex systems, but their counter-intuitive nature made it a daunting challenge to identify them. Starting from an energetic view of a reaction process as stochastic energy flows biased towards preferred channels, which we deemed the reaction coordinates, we developed a rigorous scheme for decomposing energy changes of a system, both potential and kinetic, into pairwise components. The pairwise energy flows between different coordinates provide a concrete statistical mechanical language for depicting reaction mechanisms. Application of this scheme to the C 7eq → C 7ax transition of the alanine dipeptide in vacuum revealed novel and intriguing mechanisms that eluded previous investigations of this well studied prototype system for biomolecular conformational dynamics. Using a cost function developed from the energy decomposition components by proper averaging over the transition path ensemble, we were able to identify signatures of the reaction coordinates of this system without requiring any input from human intuition.

Briquetting mechanism and waterproof performance of bio-briquette

Energy Technology Data Exchange (ETDEWEB)

Huang, G.; Chen, L.; Cao, J. [Henen Polytechnic University, Jiaozuo (China)

2008-07-15

Maize stalk and bio-briquette binder made from it were studied comparatively by FTIR and the microstructure of bio-briquette was observed and analyzed by microscopy. It was found that a large amount of unreacted biomass fibers exist in the binder. These form a multi-level network structure inside the bio-briquette and could make fine coal particles connect together. The multi-level network structure would be still present after the bio-briquettes are immersed in water for 24 hours. On the other hand, stalk materials could be partly degraded after treatment and, with other liquid ingredients in the binder, the degradation products could form a viscous fluid which would work as a bonding ingredient inside the bio-briquette and could improve the waterproofing ability of the binder after solidification. Therefore, the multi-level network structure of the biomaterial and the presence of viscous fluid are very important to the shaping and the improvement of the waterproofing ability of bio-briquettes. 11 refs., 3 figs.

Biofuel Production from Jatropha Bio-Oil Derived Fast Pyrolysis: Effect and Mechanism of CoMoS Supported on Al2O3

Science.gov (United States)

Rodseanglung, T.; Ratana, T.; Phongaksorn, M.; Tungkamani, S.

2018-03-01

The aims of this research was to understand the CoMo/Al2O3 sulfide catalyst effect to remove oxygen-containing and nitrogen-containing molecules from Jatropha bio-oil derived fast pyrolysis converted to biofuels via hydrotreating process. The activity and selectivity of CoMo/γ-Al2O3 sulfided catalysts in hydrodeoxygenation (HDO) of Jatropha bio-oil derived fast pyrolysis was evaluated in a Parr batch reactor under 50 bar of H2 atmosphere for 2 h at 300 320 and 340 °C. It appeared that the CoMo/Al2O3 sulfide catalyst have high performance in activity for promoting the fatty acid, fatty ester, fatty amide and fatty nitrile compounds were converted to paraffin/olefin (Diesel range), this could be the CUS site on supported Al2O3 catalyst. The difference in selectivity products allowed us to propose a reaction scheme.

Morphing of the Dissipative Reaction Mechanism

International Nuclear Information System (INIS)

Schroeder, W.U.; Toke, J.; Gawlikowicz, W.; Houck, M.A.; Lu, J.; Pienkowski, L.

2003-01-01

Important trends in the evolution of heavy-ion reaction mechanisms with bombarding energy and impact parameter are reviewed. Essential features of dissipative reactions appear preserved at E/A = 50-62 MeV, such as dissipative orbiting and multi-nucleon exchange. The relaxation of the A/Z asymmetry with impact parameter is slow. Non-equilibrium emission of light particles and clusters is an important process accompanying the evolution of the mechanism. Evidence is presented for a new mechanism of statistical cluster emission from hot, metastable primary reaction products, driven by surface entropy. These results suggest a plausible reinterpretation of multi-fragmentation. (authors)

Morphing of the Dissipative Reaction Mechanism

Energy Technology Data Exchange (ETDEWEB)

Schroeder, W.U.; Toke, J.; Gawlikowicz, W.; Houck, M.A.; Lu, J.; Pienkowski, L. [Rochester Univ., Dept. of Chemistry, Rochester, NY (United States)

2003-07-01

Important trends in the evolution of heavy-ion reaction mechanisms with bombarding energy and impact parameter are reviewed. Essential features of dissipative reactions appear preserved at E/A = 50-62 MeV, such as dissipative orbiting and multi-nucleon exchange. The relaxation of the A/Z asymmetry with impact parameter is slow. Non-equilibrium emission of light particles and clusters is an important process accompanying the evolution of the mechanism. Evidence is presented for a new mechanism of statistical cluster emission from hot, metastable primary reaction products, driven by surface entropy. These results suggest a plausible reinterpretation of multi-fragmentation. (authors)

Enzymatic effect of a bio-film on corrosion of stainless steels immersed in natural seawater

International Nuclear Information System (INIS)

L'Hostis, V.

2002-09-01

Immersion of stainless steels in natural seawater leads to an ennoblement of their free corrosion potential (Ecor) with time. This evolution is linked to colonization of surface by bacteria, forming a bio-film. Literature synthesis has showed common points between proposed mechanisms, like a modification of cathodic reactions, and importance of hydrogen peroxide, but also differences, as acidity inside bio-films, or chemical composition of the passive layer, or enzymes present inside bio-films. The aim of the study was to precise these hypothesis, and finally mechanisms which leads to increase of Ecor. Experiments with addition of enzymes (glucose oxidase) have been performed and have lead to reproduce the electrochemical behaviour of stainless steels in natural seawater, including the cathodic behaviour. Study of composition of passive film and its semi-conducting properties, analysed respectively by XPS and Mott-Schottky plots, has lead to precise roles of hydrogen peroxide and oxidases. Moreover, study of donor densities of passive film has pointed out the effect of gluconic acid for evolution of cathodic reaction. This enzymatic mechanism has been applied and verified on crevice corrosion, and has been extended to other metallic materials, and other enzymes. (author)

[Effects of bio-crust on soil microbial biomass and enzyme activities in copper mine tailings].

Science.gov (United States)

Chen, Zheng; Yang, Gui-de; Sun, Qing-ye

2009-09-01

Bio-crust is the initial stage of natural primary succession in copper mine tailings. With the Yangshanchong and Tongguanshan copper mine tailings in Tongling City of Anhui Province as test objects, this paper studied the soil microbial biomass C and N and the activities of dehydrogenase, catalase, alkaline phosphatase, and urease under different types of bio-crust. The bio-crusts improved the soil microbial biomass and enzyme activities in the upper layer of the tailings markedly. Algal crust had the best effect in improving soil microbial biomass C and N, followed by moss-algal crust, and moss crust. Soil microflora also varied with the type of bio-crust. No'significant difference was observed in the soil enzyme activities under the three types of bio-crust. Soil alkaline phosphatase activity was significantly positively correlated with soil microbial biomass and dehydrogenase and urease activities, but negatively correlated with soil pH. In addition, moss rhizoid could markedly enhance the soil microbial biomass and enzyme activities in moss crust rhizoid.

Catalytic applications of bio-inspired nanomaterials

Science.gov (United States)

Pacardo, Dennis Kien Balaong

The biomimetic synthesis of Pd nanoparticles was presented using the Pd4 peptide, TSNAVHPTLRHL, isolated from combinatorial phage display library. Using this approach, nearly monodisperse and spherical Pd nanoparticles were generated with an average diameter of 1.9 +/- 0.4 nm. The peptide-based nanocatalyst were employed in the Stille coupling reaction under energy-efficient and environmentally friendly reaction conditions of aqueous solvent, room temperature and very low catalyst loading. To this end, the Pd nanocatalyst generated high turnover frequency (TOF) value and quantitative yields using ≥ 0.005 mol% Pd as well as catalytic activities with different aryl halides containing electron-withdrawing and electron-donating groups. The Pd4-capped Pd nanoparticles followed the atom-leaching mechanism and were found to be selective with respect to substrate identity. On the other hand, the naturally-occurring R5 peptide (SSKKSGSYSGSKGSKRRIL) was employed in the synthesis of biotemplated Pd nanomaterials which showed morphological changes as a function of Pd:peptide ratio. TOF analysis for hydrogenation of olefinic alcohols showed similar catalytic activity regardless of nanomorphology. Determination of catalytic properties of these bio-inspired nanomaterials are important as they serve as model system for alternative green catalyst with applications in industrially important transformations.

Thermodynamic chemical energy transfer mechanisms of non-equilibrium, quasi-equilibrium, and equilibrium chemical reactions

International Nuclear Information System (INIS)

Roh, Heui-Seol

2015-01-01

Chemical energy transfer mechanisms at finite temperature are explored by a chemical energy transfer theory which is capable of investigating various chemical mechanisms of non-equilibrium, quasi-equilibrium, and equilibrium. Gibbs energy fluxes are obtained as a function of chemical potential, time, and displacement. Diffusion, convection, internal convection, and internal equilibrium chemical energy fluxes are demonstrated. The theory reveals that there are chemical energy flux gaps and broken discrete symmetries at the activation chemical potential, time, and displacement. The statistical, thermodynamic theory is the unification of diffusion and internal convection chemical reactions which reduces to the non-equilibrium generalization beyond the quasi-equilibrium theories of migration and diffusion processes. The relationship between kinetic theories of chemical and electrochemical reactions is also explored. The theory is applied to explore non-equilibrium chemical reactions as an illustration. Three variable separation constants indicate particle number constants and play key roles in describing the distinct chemical reaction mechanisms. The kinetics of chemical energy transfer accounts for the four control mechanisms of chemical reactions such as activation, concentration, transition, and film chemical reactions. - Highlights: • Chemical energy transfer theory is proposed for non-, quasi-, and equilibrium. • Gibbs energy fluxes are expressed by chemical potential, time, and displacement. • Relationship between chemical and electrochemical reactions is discussed. • Theory is applied to explore nonequilibrium energy transfer in chemical reactions. • Kinetics of non-equilibrium chemical reactions shows the four control mechanisms

From bio-resources to industry. Agrice 2 Activity report 2001-2007

International Nuclear Information System (INIS)

2007-01-01

framework of this new programme. This AGRICE 2001-2007 activity report presents: - the AGRICE's Profile, Structure and operations; - Scope of AGRICE's activity and 2001-2007 AGRICE II activity, 2001-2007 Applications; - sectors of activity: bio-energy, bio-products, Biomaterials; - AGRICE Activities from 2001 to 2007: Role and activities, Knowledge, Market studies, Environmental impact studies, Resources, Communication (Conferences and Technical study days Publications), Extracting value, Industrial success stories, International networks and programmes, Evaluation of AGRICE II (objectives, Principal findings and recommendations); In appendix: the Financial statement 2007 and 2001-2007; the evaluation of projects by theme; The topical breakdown of subsidies allocated by AGRICE (2001-2007); the projects initiated from 2001 to 2007; the members of the group council and AGRICE representatives; the AGRICE team

A compartmental model of the cAMP/PKA/MAPK pathway in Bio-PEPA

Directory of Open Access Journals (Sweden)

Federica Ciocchetta

2009-11-01

Full Text Available The vast majority of biochemical systems involve the exchange of information between different compartments, either in the form of transportation or via the intervention of membrane proteins which are able to transmit stimuli between bordering compartments. The correct quantitative handling of compartments is, therefore, extremely important when modelling real biochemical systems. The Bio-PEPA process algebra is equipped with the capability of explicitly defining quantitative information such as compartment volumes and membrane surface areas. Furthermore, the recent development of the Bio-PEPA Eclipse Plug-in allows us to perform a correct stochastic simulation of multi-compartmental models. Here we present a Bio-PEPA compartmental model of the cAMP/PKA/MAPK pathway. We analyse the system using the Bio-PEPA Eclipse Plug-in and we show the correctness of our model by comparison with an existing ODE model. Furthermore, we perform computational experiments in order to investigate certain properties of the pathway. Specifically, we focus on the system response to the inhibition and strengthening of feedback loops and to the variation in the activity of key pathway reactions and we observe how these modifications affect the behaviour of the pathway. These experiments are useful to understand the control and regulatory mechanisms of the system.

The electromagnetic bio-field: clinical experiments and interferences.

Science.gov (United States)

Burnei, G; Hodorogea, D; Georgescu, I; Gavriliu, Ş; Drăghici, I; Dan, D; Vlad, C; Drăghici, L

2012-06-12

One of the most important factors is the technical and scientifically rapid development that is continually modifying the world we live in and polluting it with electromagnetic radiations. A functional and structural influence of magnetic and electromagnetic field on living organisms is presented in the literature by many performed experiments. The notion of bio-field represents the electromagnetic field generated by the bio-structures, not only in their normal physiological activities but also in their pathological states. There is a tight interdependency between the bio-field and the bio-structure, which respects the primary notion of an electromagnetic field given by the Maxwell-Faraday laws, in which, the electromagnetic phenomena are simplified to the field variations. These variations can be expressed in a coherent differential equation system that bounds the field vectors to different space points at different time moments. The living organisms cannot contain electrostatic and magneto-static fields due to the intense activity of the bio-structures. The biochemical reactions that have high rhythms and speeds always impose the electrodynamics character of the biologic field that also corresponds to the stability of the protein molecule that can be explained only through a dynamic way. The existent energy is not considered an exciting agent, and it does not lead to any effects. The parameters of these elementary bio-fields cannot yet be fully known due to technical reasons. The biological structures are very complex ones and undergo continuous dynamical activity. That is why the calculus model should be related to the constant dynamics, nowadays being very difficult to express.

On the mechanism of effective chemical reactions with turbulent mixing of reactants and finite rate of molecular reactions

Energy Technology Data Exchange (ETDEWEB)

Vorotilin, V. P., E-mail: VPVorotilin@yandex.ru [Russian Academy of Sciences, Institute of Applied Mechanics (Russian Federation)

2017-01-15

A generalization of the theory of chemical transformation processes under turbulent mixing of reactants and arbitrary values of the rate of molecular reactions is presented that was previously developed for the variant of an instantaneous reaction [13]. The use of the features of instantaneous reactions when considering the general case, namely, the introduction of the concept of effective reaction for the reactant volumes and writing a closing conservation equation for these volumes, became possible due to the partition of the whole amount of reactants into “active” and “passive” classes; the reactants of the first class are not mixed and react by the mechanism of instantaneous reactions, while the reactants of the second class approach each other only through molecular diffusion, and therefore their contribution to the reaction process can be neglected. The physical mechanism of reaction for the limit regime of an ideal mixing reactor (IMR) is revealed and described. Although formally the reaction rate in this regime depends on the concentration of passive fractions of the reactants, according to the theory presented, the true (hidden) mechanism of the reaction is associated only with the reaction of the active fractions of the reactants with vanishingly small concentration in the volume of the reactor. It is shown that the rate constant of fast chemical reactions can be evaluated when the mixing intensity of reactants is much less than that needed to reach the mixing conditions in an IMR.

Utilization of oil palm tree residues to produce bio-oil and bio-char via pyrolysis

International Nuclear Information System (INIS)

Abnisa, Faisal; Arami-Niya, Arash; Wan Daud, W.M.A.; Sahu, J.N.; Noor, I.M.

2013-01-01

Highlights: • About 14.72% of the total landmass in Malaysia was used for oil palm plantations. • Oil palm tree residues were pyrolyzed to produce bio-oil and bio-char. • The process was performed at a temperature of 500 °C and reaction time of 60 min. • Characterization of the products was performed. - Abstract: Oil palm tree residues are a rich biomass resource in Malaysia, and it is therefore very important that they be utilized for more beneficial purposes, particularly in the context of the development of biofuels. This paper described the possibility of utilizing oil palm tree residues as biofuels by producing bio-oil and bio-char via pyrolysis. The process was performed in a fixed-bed reactor at a temperature of 500 °C, a nitrogen flow rate of 2 L/min and a reaction time of 60 min. The physical and chemical properties of the products, which are important for biofuel testing, were then characterized. The results showed that the yields of the bio-oil and bio-char obtained from different residues varied within the ranges of 16.58–43.50 wt% and 28.63–36.75 wt%, respectively. The variations in the yields resulted from differences in the relative amounts of cellulose, hemicellulose, lignin, volatiles, fixed carbon, and ash in the samples. The energy density of the bio-char was found to be higher than that of the bio-oil. The highest energy density of the bio-char was obtained from a palm leaf sample (23.32 MJ/kg), while that of the bio-oil was obtained from a frond sample (15.41 MJ/kg)

2013 Gordon Research Conference, Inorganic reaction mechanisms, Galveston, TX, March 3-8 2013

Energy Technology Data Exchange (ETDEWEB)

Abu-Omar, Mahdi M. [Purdue Univ., West Lafayette, IN (United States)

2012-12-08

The 2013 Gordon Conference on Inorganic Reaction Mechanisms will present cutting-edge research on the molecular aspects of inorganic reactions involving elements from throughout the periodic table and state-of-the art techniques that are used in the elucidation of reaction mechanisms. The Conference will feature a wide range of topics, such as homogeneous and heterogeneous catalysis, metallobiochemistry, electron-transfer in energy reactions, polymerization, nitrogen fixation, green chemistry, oxidation, solar conversion, alkane functionalization, organotransition metal chemistry, and computational chemistry. The talks will cover themes of current interest including energy, materials, and bioinorganic chemistry. Sections cover: Electron-Transfer in Energy Reactions; Catalytic Polymerization and Oxidation Chemistry; Kinetics and Spectroscopy of Heterogeneous Catalysts; Metal-Organic Chemistry and its Application in Synthesis; Green Energy Conversion;Organometallic Chemistry and Activation of Small Molecules; Advances in Kinetics Modeling and Green Chemistry; Metals in Biology and Disease; Frontiers in Catalytic Bond Activation and Cleavage.

A review of the chemical and physical mechanisms of the storage stability of fast pyrolysis bio-oils

Energy Technology Data Exchange (ETDEWEB)

Diebold, J.P.

1999-01-27

Understanding the fundamental chemical and physical aging mechanisms is necessary to learn how to produce a bio-oil that is more stable during shipping and storage. This review provides a basis for this understanding and identifies possible future research paths to produce bio-oils with better storage stability.

Generalization of the Activated Complex Theory of Reaction Rates. I. Quantum Mechanical Treatment

Science.gov (United States)

Marcus, R. A.

1964-01-01

In its usual form activated complex theory assumes a quasi-equilibrium between reactants and activated complex, a separable reaction coordinate, a Cartesian reaction coordinate, and an absence of interaction of rotation with internal motion in the complex. In the present paper a rate expression is derived without introducing the Cartesian assumption. The expression bears a formal resemblance to the usual one and reduces to it when the added assumptions of the latter are introduced.

Trans-methylation reactions in plants: focus on the activated methyl cycle.

Science.gov (United States)

Rahikainen, Moona; Alegre, Sara; Trotta, Andrea; Pascual, Jesús; Kangasjärvi, Saijaliisa

2018-02-01

Trans-methylation reactions are vital in basic metabolism, epigenetic regulation, RNA metabolism, and posttranslational control of protein function and therefore fundamental in determining the physiological processes in all living organisms. The plant kingdom is additionally characterized by the production of secondary metabolites that undergo specific hydroxylation, oxidation and methylation reactions to obtain a wide array of different chemical structures. Increasing research efforts have started to reveal the enzymatic pathways underlying the biosynthesis of complex metabolites in plants. Further engineering of these enzymatic machineries offers significant possibilities in the development of bio-based technologies, but necessitates deep understanding of their potential metabolic and regulatory interactions. Trans-methylation reactions are tightly coupled with the so-called activated methyl cycle (AMC), an essential metabolic circuit that maintains the trans-methylation capacity in all living cells. Tight regulation of the AMC is crucial in ensuring accurate trans-methylation reactions in different subcellular compartments, cell types, developmental stages and environmental conditions. This review addresses the organization and posttranslational regulation of the AMC and elaborates its critical role in determining metabolic regulation through modulation of methyl utilization in stress-exposed plants. © 2017 Scandinavian Plant Physiology Society.

Upgrading of bio-oil via acid-catalyzed reactions in alcohols : a mini review

NARCIS (Netherlands)

Hu, X.; Gunawan, R.; Mourant, D.; Mahmudul Hasan, M.D.; Wu, L.; Song, Y.; Lievens, C.; Li, C.Z.

2017-01-01

Bio-oil is a condensable liquid produced from the pyrolysis of biomass, which can be upgraded to biofuels. Bio-oil is corrosive as it contains significant amounts of carboxylic acids, creating difficulties in handling of bio-oil and applications of bio-oil. Acid-treatment of bio-oil in alcohols is

Panorama 2013 - Air transport and the problem of CO2: ETS mechanisms and bio-jet fuels

International Nuclear Information System (INIS)

Jean-Francois Gruson

2013-01-01

Air transport currently accounts for only 2% (∼600 Mt/year) of global CO 2 emissions from human activity. Despite this 2% level, this industry is targeted by governments - especially European Union - and initiatives targeting zero growth in carbon from 2020 onwards, and a 50% reduction by 2050. Over and above aircraft technical innovations and the way in which air traffic is organised, the introduction of ETS (Emissions Trading System) mechanisms and the development of bio-jet fuels are the options most commonly cited in discussions on how to achieve that target. (author)

Abrasive wear behaviour of bio-active glass ceramics containing ...

Indian Academy of Sciences (India)

Unknown

Technical Education Faculty, Mersin University, 33480 Tarsus, Turkey. MS received 18 October 2005; revised 22 March 2006. Abstract. In this study, abrasive ... process were used to produce bio-active ceramics. Fracture toughness of studied ...

Bio-active molecules modified surfaces enhanced mesenchymal stem cell adhesion and proliferation

International Nuclear Information System (INIS)

Mobasseri, Rezvan; Tian, Lingling; Soleimani, Masoud; Ramakrishna, Seeram; Naderi-Manesh, Hossein

2017-01-01

Surface modification of the substrate as a component of in vitro cell culture and tissue engineering, using bio-active molecules including extracellular matrix (ECM) proteins or peptides derived ECM proteins can modulate the surface properties and thereby induce the desired signaling pathways in cells. The aim of this study was to evaluate the behavior of human bone marrow mesenchymal stem cells (hBM-MSCs) on glass substrates modified with fibronectin (Fn), collagen (Coll), RGD peptides (RGD) and designed peptide (R-pept) as bio-active molecules. The glass coverslips were coated with fibronectin, collagen, RGD peptide and R-peptide. Bone marrow mesenchymal stem cells were cultured on different substrates and the adhesion behavior in early incubation times was investigated using scanning electron microscopy (SEM) and confocal microscopy. The MTT assay was performed to evaluate the effect of different bio-active molecules on MSCs proliferation rate during 24 and 72 h. Formation of filopodia and focal adhesion (FA) complexes, two steps of cell adhesion process, were observed in MSCs cultured on bio-active molecules modified coverslips, specifically in Fn coated and R-pept coated groups. SEM image showed well adhesion pattern for MSCs cultured on Fn and R-pept after 2 h incubation, while the shape of cells cultured on Coll and RGD substrates indicated that they might experience stress condition in early hours of culture. Investigation of adhesion behavior, as well as proliferation pattern, suggests R-peptide as a promising bio-active molecule to be used for surface modification of substrate in supporting and inducing cell adhesion and proliferation. - Highlights: • Bioactive molecules modified surface is a strategy to design biomimicry scaffold. • Bi-functional Tat-derived peptide (R-pept) enhanced MSCs adhesion and proliferation. • R-pept showed similar influences to fibronectin on FA formation and attachment.

Interfacial mechanisms of heterogeneous Fenton reactions catalyzed by iron-based materials: A review.

Science.gov (United States)

He, Jie; Yang, Xiaofang; Men, Bin; Wang, Dongsheng

2016-01-01

The heterogeneous Fenton reaction can generate highly reactive hydroxyl radicals (OH) from reactions between recyclable solid catalysts and H2O2 at acidic or even circumneutral pH. Hence, it can effectively oxidize refractory organics in water or soils and has become a promising environmentally friendly treatment technology. Due to the complex reaction system, the mechanism behind heterogeneous Fenton reactions remains unresolved but fascinating, and is crucial for understanding Fenton chemistry and the development and application of efficient heterogeneous Fenton technologies. Iron-based materials usually possess high catalytic activity, low cost, negligible toxicity and easy recovery, and are a superior type of heterogeneous Fenton catalysts. Therefore, this article reviews the fundamental but important interfacial mechanisms of heterogeneous Fenton reactions catalyzed by iron-based materials. OH, hydroperoxyl radicals/superoxide anions (HO2/O2(-)) and high-valent iron are the three main types of reactive oxygen species (ROS), with different oxidation reactivity and selectivity. Based on the mechanisms of ROS generation, the interfacial mechanisms of heterogeneous Fenton systems can be classified as the homogeneous Fenton mechanism induced by surface-leached iron, the heterogeneous catalysis mechanism, and the heterogeneous reaction-induced homogeneous mechanism. Different heterogeneous Fenton systems catalyzed by characteristic iron-based materials are comprehensively reviewed. Finally, related future research directions are also suggested. Copyright © 2015. Published by Elsevier B.V.

Bio-desulfurization technology in Japan; Wagakuni ni okeru baio datsuryu gijutsu

Energy Technology Data Exchange (ETDEWEB)

Maruhashi, K. [Petroleum Energy Center, Tokyo (Japan)

2000-05-01

A bio-reaction of microbes (catalytic reaction by an enzyme) is characterized in that the reaction is carried out at a normal temperature and under a normal pressure and has particularly high specificity with respect to substrate (reactant). It is considered that a low loading process of environment harmony type can be constructed by applying the bio-reaction in petroleum refinery process. CO{sub 2} exhaust and energy consumption in the bio-desulfurization (BDS) is estimated to be 70 to 80% lower than those in hydrodesulfurization (HDS). The bio-technologies that can be applied to the petroleum refinery process include, for example, desulfurization, demetallation, dewaxing, denitration, cracking and so on. In this paper, the present state of bio-desulphurization technology is introduced. Particularly, as the research results in Japan, acquirement of mesophile R.erythropolis KA2-5-1 strain, thermophile Paenibacillus sp. A11-2 strain whose optimum temperature is 50 degrees C, BT degradation fungus Rhodococcus sp. T09 and the like are introduced. (NEDO)

Computational organic chemistry: bridging theory and experiment in establishing the mechanisms of chemical reactions.

Science.gov (United States)

Cheng, Gui-Juan; Zhang, Xinhao; Chung, Lung Wa; Xu, Liping; Wu, Yun-Dong

2015-02-11

Understanding the mechanisms of chemical reactions, especially catalysis, has been an important and active area of computational organic chemistry, and close collaborations between experimentalists and theorists represent a growing trend. This Perspective provides examples of such productive collaborations. The understanding of various reaction mechanisms and the insight gained from these studies are emphasized. The applications of various experimental techniques in elucidation of reaction details as well as the development of various computational techniques to meet the demand of emerging synthetic methods, e.g., C-H activation, organocatalysis, and single electron transfer, are presented along with some conventional developments of mechanistic aspects. Examples of applications are selected to demonstrate the advantages and limitations of these techniques. Some challenges in the mechanistic studies and predictions of reactions are also analyzed.

Chitosan–Zinc(II Complexes as a Bio-Sorbent for the Adsorptive Abatement of Phosphate: Mechanism of Complexation and Assessment of Adsorption Performance

Directory of Open Access Journals (Sweden)

Maryam Roza Yazdani

2017-12-01

Full Text Available This study examines zinc(II–chitosan complexes as a bio-sorbent for phosphate removal from aqueous solutions. The bio-sorbent is prepared and is characterized via Fourier Transform Infrared Spectroscopy (FT-IR, Scanning Electron Microscopy (SEM, and Point of Zero Charge (pHPZC–drift method. The adsorption capacity of zinc(II–chitosan bio-sorbent is compared with those of chitosan and ZnO–chitosan and nano-ZnO–chitosan composites. The effect of operational parameters including pH, temperature, and competing ions are explored via adsorption batch mode. A rapid phosphate uptake is observed within the first three hours of contact time. Phosphate removal by zinc(II–chitosan is favored when the surface charge of bio-sorbent is positive/or neutral e.g., within the pH range inferior or around its pHPZC, 7. Phosphate abatement is enhanced with decreasing temperature. The study of background ions indicates a minor effect of chloride, whereas nitrate and sulfate show competing effect with phosphate for the adsorptive sites. The adsorption kinetics is best described with the pseudo-second-order model. Sips (R2 > 0.96 and Freundlich (R2 ≥ 0.95 models suit the adsorption isotherm. The phosphate reaction with zinc(II–chitosan is exothermic, favorable and spontaneous. The complexation of zinc(II and chitosan along with the corresponding mechanisms of phosphate removal are presented. This study indicates the introduction of zinc(II ions into chitosan improves its performance towards phosphate uptake from 1.45 to 6.55 mg/g and provides fundamental information for developing bio-based materials for water remediation.

Femtosecond laser processing of active and passive devices for bio-MEMS

NARCIS (Netherlands)

Bellouard, Y.

2013-01-01

Femtosecond laser processing of glass has been proven to be an efficient tool for fabricating waveguides and microchannels. Here we show that monolithic integration in bio-Micro-Electro-Mechanical-Systems can be pushed forward by introducing additional functionalities.

A discrete model to study reaction-diffusion-mechanics systems.

Science.gov (United States)

Weise, Louis D; Nash, Martyn P; Panfilov, Alexander V

2011-01-01

This article introduces a discrete reaction-diffusion-mechanics (dRDM) model to study the effects of deformation on reaction-diffusion (RD) processes. The dRDM framework employs a FitzHugh-Nagumo type RD model coupled to a mass-lattice model, that undergoes finite deformations. The dRDM model describes a material whose elastic properties are described by a generalized Hooke's law for finite deformations (Seth material). Numerically, the dRDM approach combines a finite difference approach for the RD equations with a Verlet integration scheme for the equations of the mass-lattice system. Using this framework results were reproduced on self-organized pacemaking activity that have been previously found with a continuous RD mechanics model. Mechanisms that determine the period of pacemakers and its dependency on the medium size are identified. Finally it is shown how the drift direction of pacemakers in RDM systems is related to the spatial distribution of deformation and curvature effects.

A discrete model to study reaction-diffusion-mechanics systems.

Directory of Open Access Journals (Sweden)

Louis D Weise

Full Text Available This article introduces a discrete reaction-diffusion-mechanics (dRDM model to study the effects of deformation on reaction-diffusion (RD processes. The dRDM framework employs a FitzHugh-Nagumo type RD model coupled to a mass-lattice model, that undergoes finite deformations. The dRDM model describes a material whose elastic properties are described by a generalized Hooke's law for finite deformations (Seth material. Numerically, the dRDM approach combines a finite difference approach for the RD equations with a Verlet integration scheme for the equations of the mass-lattice system. Using this framework results were reproduced on self-organized pacemaking activity that have been previously found with a continuous RD mechanics model. Mechanisms that determine the period of pacemakers and its dependency on the medium size are identified. Finally it is shown how the drift direction of pacemakers in RDM systems is related to the spatial distribution of deformation and curvature effects.

Bio-based Polymer Foam from Soyoil

Science.gov (United States)

Bonnaillie, Laetitia M.; Wool, Richard P.

2006-03-01

The growing bio-based polymeric foam industry is presently lead by plant oil-based polyols for polyurethanes and starch foams. We developed a new resilient, thermosetting foam system with a bio-based content higher than 80%. The acrylated epoxidized soybean oil and its fatty acid monomers is foamed with pressurized carbon dioxide and cured with free-radical initiators. The foam structure and pore dynamics are highly dependent on the temperature, viscosity and extent of reaction. Low-temperature cure hinds the destructive pore coalescence and the application of a controlled vacuum results in foams with lower densities ˜ 0.1 g/cc, but larger cells. We analyze the physics of foam formation and stability, as well as the structure and mechanical properties of the cured foam using rigidity percolation theory. The parameters studied include temperature, vacuum applied, and cross-link density. Additives bring additional improvements: nucleating agents and surfactants help produce foams with a high concentration of small cells and low bulk density. Hard and soft thermosetting foams with a bio content superior to 80% are successfully produced and tested. Potential applications include foam-core composites for hurricane-resistant housing, structural reinforcement for windmill blades, and tissue scaffolds.

BioWarehouse: a bioinformatics database warehouse toolkit.

Science.gov (United States)

Lee, Thomas J; Pouliot, Yannick; Wagner, Valerie; Gupta, Priyanka; Stringer-Calvert, David W J; Tenenbaum, Jessica D; Karp, Peter D

2006-03-23

This article addresses the problem of interoperation of heterogeneous bioinformatics databases. We introduce BioWarehouse, an open source toolkit for constructing bioinformatics database warehouses using the MySQL and Oracle relational database managers. BioWarehouse integrates its component databases into a common representational framework within a single database management system, thus enabling multi-database queries using the Structured Query Language (SQL) but also facilitating a variety of database integration tasks such as comparative analysis and data mining. BioWarehouse currently supports the integration of a pathway-centric set of databases including ENZYME, KEGG, and BioCyc, and in addition the UniProt, GenBank, NCBI Taxonomy, and CMR databases, and the Gene Ontology. Loader tools, written in the C and JAVA languages, parse and load these databases into a relational database schema. The loaders also apply a degree of semantic normalization to their respective source data, decreasing semantic heterogeneity. The schema supports the following bioinformatics datatypes: chemical compounds, biochemical reactions, metabolic pathways, proteins, genes, nucleic acid sequences, features on protein and nucleic-acid sequences, organisms, organism taxonomies, and controlled vocabularies. As an application example, we applied BioWarehouse to determine the fraction of biochemically characterized enzyme activities for which no sequences exist in the public sequence databases. The answer is that no sequence exists for 36% of enzyme activities for which EC numbers have been assigned. These gaps in sequence data significantly limit the accuracy of genome annotation and metabolic pathway prediction, and are a barrier for metabolic engineering. Complex queries of this type provide examples of the value of the data warehousing approach to bioinformatics research. BioWarehouse embodies significant progress on the database integration problem for bioinformatics.

Positive impact of bio-stimulators on growth and physiological activity of willow in climate change conditions

Science.gov (United States)

Piotrowski, Krzysztof; Romanowska-Duda, Zdzisława

2018-04-01

The aim of this research was to evaluate the physiological activity and growth of willow (Salix viminalis L.) plants cultivated under the conditions of adverse temperature and soil moisture content, and to assess the effect of the foliar application of Biojodis (1.0%) and Asahi SL (0.03%) bio-stimulators, or a mixture of Microcistis aeruginosa MKR 0105 and Anabaena PCC 7120 cyanobacteria under such changing growth conditions. The obtained results showed different reactions to the applied constant or periodically changed temperature and soil moisture content. The plants which grew at periodically changed adverse temperature (from -5 to 40oC) or in scantily (20% m.c.) or excessively (60% m.c.) watered soils, grew slowly, in comparison with those growing at 20oC and in optimally moistened soil (30% m.c.). Foliar application of Biojodis and Asahi SL cyanobacteria increased the growth of willow at optimal and adverse temperature or in scantily and excessively moistened soil. The changes in plant growth were associated with the changes in electrolyte leakage, activity of acid or alkaline phosphatases, RNase, index of chlorophyll content in leaves and gas exchange. The above indicates that the foliar application of the studied cyanobacteria and bio-stimulators partly alleviates the harmful impact of adverse temperature and water stress on growth and physiological activity of willow plants

Multi-scale cellulose based new bio-aerogel composites with thermal super-insulating and tunable mechanical properties.

Science.gov (United States)

Seantier, Bastien; Bendahou, Dounia; Bendahou, Abdelkader; Grohens, Yves; Kaddami, Hamid

2016-03-15

Bio-composite aerogels based on bleached cellulose fibers (BCF) and cellulose nanoparticles having various morphological and physico-chemical characteristics are prepared by a freeze-drying technique and characterized. The various composite aerogels obtained were compared to a BCF aerogel used as the reference. Severe changes in the material morphology were observed by SEM and AFM due to a variation of the cellulose nanoparticle properties such as the aspect ratio, the crystalline index and the surface charge density. BCF fibers form a 3D network and they are surrounded by the cellulose nanoparticle thin films inducing a significant reduction of the size of the pores in comparison with a neat BCF based aerogel. BET analyses confirm the appearance of a new organization structure with pores of nanometric sizes. As a consequence, a decrease of the thermal conductivities is observed from 28mWm(-1)K(-1) (BCF aerogel) to 23mWm(-1)K(-1) (bio-composite aerogel), which is below the air conductivity (25mWm(-1)K(-1)). This improvement of the insulation properties for composite materials is more pronounced for aerogels based on cellulose nanoparticles having a low crystalline index and high surface charge (NFC-2h). The significant improvement of their insulation properties allows the bio-composite aerogels to enter the super-insulating materials family. The characteristics of cellulose nanoparticles also influence the mechanical properties of the bio-composite aerogels. A significant improvement of the mechanical properties under compression is obtained by self-organization, yielding a multi-scale architecture of the cellulose nanoparticles in the bio-composite aerogels. In this case, the mechanical property is more dependent on the morphology of the composite aerogel rather than the intrinsic characteristics of the cellulose nanoparticles. Copyright © 2015 Elsevier Ltd. All rights reserved.

syk kinase activation by a src kinase-initiated activation loop phosphorylation chain reaction

Science.gov (United States)

El-Hillal, O.; Kurosaki, T.; Yamamura, H.; Kinet, J.-P.; Scharenberg, A. M.

1997-01-01

Activation of the syk tyrosine kinase occurs almost immediately following engagement of many types of antigen receptors, including Fc receptors, but the mechanism through which syk is activated is currently unclear. Here we demonstrate that Fc receptor-induced syk activation occurs as the result of phosphorylation of the syk activation loop by both src family kinases and other molecules of activated syk, suggesting that syk activation occurs as the result of a src kinase-initiated activation loop phosphorylation chain reaction. This type of activation mechanism predicts that syk activation would exhibit exponential kinetics, providing a potential explanation for its rapid and robust activation by even weak antigen receptor stimuli. We propose that a similar mechanism may be responsible for generating rapid activation of other cytoplasmic tyrosine kinases, such as those of the Bruton tyrosine kinase/tec family, as well. PMID:9050880

Quantum mechanical design of enzyme active sites.

Science.gov (United States)

Zhang, Xiyun; DeChancie, Jason; Gunaydin, Hakan; Chowdry, Arnab B; Clemente, Fernando R; Smith, Adam J T; Handel, T M; Houk, K N

2008-02-01

The design of active sites has been carried out using quantum mechanical calculations to predict the rate-determining transition state of a desired reaction in presence of the optimal arrangement of catalytic functional groups (theozyme). Eleven versatile reaction targets were chosen, including hydrolysis, dehydration, isomerization, aldol, and Diels-Alder reactions. For each of the targets, the predicted mechanism and the rate-determining transition state (TS) of the uncatalyzed reaction in water is presented. For the rate-determining TS, a catalytic site was designed using naturalistic catalytic units followed by an estimation of the rate acceleration provided by a reoptimization of the catalytic site. Finally, the geometries of the sites were compared to the X-ray structures of related natural enzymes. Recent advances in computational algorithms and power, coupled with successes in computational protein design, have provided a powerful context for undertaking such an endeavor. We propose that theozymes are excellent candidates to serve as the active site models for design processes.

Insights into reaction mechanisms in heterogeneous catalysis revealed by in situ NMR spectroscopy.

Science.gov (United States)

Blasco, Teresa

2010-12-01

This tutorial review intends to show the possibilities of in situ solid state NMR spectroscopy in the elucidation of reaction mechanisms and the nature of the active sites in heterogeneous catalysis. After a brief overview of the more usual experimental devices used for in situ solid state NMR spectroscopy measurements, some examples of applications taken from the recent literature will be presented. It will be shown that in situ NMR spectroscopy allows: (i) the identification of stable intermediates and transient species using indirect methods, (ii) to prove shape selectivity in zeolites, (iii) the study of reaction kinetics, and (iv) the determination of the nature and the role played by the active sites in a catalytic reaction. The approaches and methodology used to get this information will be illustrated here summarizing the most relevant contributions on the investigation of the mechanisms of a series of reactions of industrial interest: aromatization of alkanes on bifunctional catalysts, carbonylation reaction of methanol with carbon monoxide, ethylbenzene disproportionation, and the Beckmann rearrangement reaction. Special attention is paid to the research carried out on the role played by carbenium ions and alkoxy as intermediate species in the transformation of hydrocarbon molecules on solid acid catalysts.

Hair flow sensors: from bio-inspiration to bio-mimicking—a review

International Nuclear Information System (INIS)

Tao, Junliang; Yu, Xiong

2012-01-01

A great many living beings, such as aquatics and arthropods, are equipped with highly sensitive flow sensors to help them survive in challenging environments. These sensors are excellent sources of inspiration for developing application-driven artificial flow sensors with high sensitivity and performance. This paper reviews the bio-inspirations on flow sensing in nature and the bio-mimicking efforts to emulate such sensing mechanisms in recent years. The natural flow sensing systems in aquatics and arthropods are reviewed to highlight inspirations at multiple levels such as morphology, sensing mechanism and information processing. Biomimetic hair flow sensors based on different sensing mechanisms and fabrication technologies are also reviewed to capture the recent accomplishments and to point out areas where further progress is necessary. Biomimetic flow sensors are still in their early stages. Further efforts are required to unveil the sensing mechanisms in the natural biological systems and to achieve multi-level bio-mimicking of the natural system to develop their artificial counterparts. (topical review)

Synergetic mechanism of methanol–steam reforming reaction in a catalytic reactor with electric discharges

International Nuclear Information System (INIS)

Kim, Taegyu; Jo, Sungkwon; Song, Young-Hoon; Lee, Dae Hoon

2014-01-01

Highlights: • Methanol–steam reforming was performed on Cu catalysts under an electric discharge. • Discharge had a synergetic effect on the catalytic reaction for methanol conversion. • Discharge lowered the temperature for catalyst activation or light off. • Discharge controlled the yield and selectivity of species in a reforming process. • Adsorption triggered by a discharge was a possible mechanism for a synergetic effect. - Abstract: Methanol–steam reforming was performed on Cu/ZnO/Al 2 O 3 catalysts under an electric discharge. The discharge occurred between the electrodes where the catalysts were packed. The electric discharge was characterized by the discharge voltage and electric power to generate the discharge. The existence of a discharge had a synergetic effect on the catalytic reaction for methanol conversion. The electric discharge provided modified reaction paths resulting in a lower temperature for catalyst activation or light off. The discharge partially controlled the yield and selectivity of species in a reforming process. The aspect of control was examined in view of the reaction kinetics. The possible mechanisms for the synergetic effect between the catalytic reaction and electric discharge on methanol–steam reforming were addressed. A discrete reaction path, particularly adsorption triggered by an electric discharge, was suggested to be the most likely mechanism for the synergetic effect. These results are expected to provide a guide for understanding the plasma–catalyst hybrid reaction

Reaction-diffusion systems in intracellular molecular transport and control.

Science.gov (United States)

Soh, Siowling; Byrska, Marta; Kandere-Grzybowska, Kristiana; Grzybowski, Bartosz A

2010-06-07

Chemical reactions make cells work only if the participating chemicals are delivered to desired locations in a timely and precise fashion. Most research to date has focused on active-transport mechanisms, although passive diffusion is often equally rapid and energetically less costly. Capitalizing on these advantages, cells have developed sophisticated reaction-diffusion (RD) systems that control a wide range of cellular functions-from chemotaxis and cell division, through signaling cascades and oscillations, to cell motility. These apparently diverse systems share many common features and are "wired" according to "generic" motifs such as nonlinear kinetics, autocatalysis, and feedback loops. Understanding the operation of these complex (bio)chemical systems requires the analysis of pertinent transport-kinetic equations or, at least on a qualitative level, of the characteristic times of the constituent subprocesses. Therefore, in reviewing the manifestations of cellular RD, we also describe basic theory of reaction-diffusion phenomena.

Bio-Inspired Control of an Arm Exoskeleton Joint with Active-Compliant Actuation System

Directory of Open Access Journals (Sweden)

Michele Folgheraiter

2009-01-01

Full Text Available This paper presents the methodology followed on the design of a multi-contact point haptic interface that uses a bio-inspired control approach and a novel actuation system. The combination of these components aims at creating a system that increases the operability of the target, and, at the same time, enables an intuitive and safe tele-operation of any complex robotic system of any given morphology. The novelty lies on the combination of a thoughtful kinematic structure driven by an active-compliant actuation system and a bio-inspired paradigm for its regulation. Due to the proposed actuation approach, the final system will achieve the condition of wearable system. On that final solution, each joint will be able to change its stiffness depending on the task to be executed, and on the anatomical features of each individual. Moreover, the system provides a variety of safety mechanisms at different levels to prevent causing any harm to the operator. In future, the system should allow the complete virtual immersion of the user within the working scenario.

Reaction mechanisms for enhancing carbon dioxide mineral sequestration

Science.gov (United States)

Jarvis, Karalee Ann

Increasing global temperature resulting from the increased release of carbon dioxide into the atmosphere is one of the greatest problems facing society. Nevertheless, coal plants remain the largest source of electrical energy and carbon dioxide gas. For this reason, researchers are searching for methods to reduce carbon dioxide emissions into the atmosphere from the combustion of coal. Mineral sequestration of carbon dioxide reacted in electrolyte solutions at 185°C and 2200 psi with olivine (magnesium silicate) has been shown to produce environmentally benign carbonates. However, to make this method feasible for industrial applications, the reaction rate needs to be increased. Two methods were employed to increase the rate of mineral sequestration: reactant composition and concentration were altered independently in various runs. The products were analyzed with complete combustion for total carbon content. Crystalline phases in the product were analyzed with Debye-Scherrer X-ray powder diffraction. To understand the reaction mechanism, single crystals of San Carlos Olivine were reacted in two solutions: (0.64 M NaHCO3/1 M NaCl) and (5.5 M KHCO3) and analyzed with scanning electron microscopy (SEM), transmission electron microscopy (TEM), electron energy loss spectroscopy (EELS), and fluctuation electron microscopy (FEM) to study the surface morphology, atomic crystalline structure, composition and amorphous structure. From solution chemistry studies, it was found that increasing the activity of the bicarbonate ion increased the conversion rate of carbon dioxide to magnesite. The fastest conversion, 60% conversion in one hour, occurred in a solution of 5.5 M KHCO3. The reaction product particles, magnesium carbonate, significantly increased in both number density and size on the coupon when the bicarbonate ion activity was increased. During some experiments reaction vessel corrosion also altered the mineral sequestration mechanism. Nickel ions from vessel

Viscosity and not biological mechanisms often controls the effects of temperature on ciliary activity and swimming velocity of small aquatic organisms

DEFF Research Database (Denmark)

Larsen, Poul Scheel; Riisgård, H. U.

2009-01-01

organisms using cilia or small appendages for propulsion. Here we summarize results from the literature and from own studies on bio-mechanical activities in response to changing temperature or manipulated viscosity at constant temperature, both having the same change in kinematic viscosity. The survey......A number of studies have shown that temperature-dependent viscosity of the ambient water controls or strongly affects bio-mechanical activity such as beat frequency of water-pumping cilia in mussels and ascidians, swimming velocity of sperm cells, ciliates and small (micro- and meso-scale) aquatic...

BioWarehouse: a bioinformatics database warehouse toolkit

Directory of Open Access Journals (Sweden)

Stringer-Calvert David WJ

2006-03-01

Full Text Available Abstract Background This article addresses the problem of interoperation of heterogeneous bioinformatics databases. Results We introduce BioWarehouse, an open source toolkit for constructing bioinformatics database warehouses using the MySQL and Oracle relational database managers. BioWarehouse integrates its component databases into a common representational framework within a single database management system, thus enabling multi-database queries using the Structured Query Language (SQL but also facilitating a variety of database integration tasks such as comparative analysis and data mining. BioWarehouse currently supports the integration of a pathway-centric set of databases including ENZYME, KEGG, and BioCyc, and in addition the UniProt, GenBank, NCBI Taxonomy, and CMR databases, and the Gene Ontology. Loader tools, written in the C and JAVA languages, parse and load these databases into a relational database schema. The loaders also apply a degree of semantic normalization to their respective source data, decreasing semantic heterogeneity. The schema supports the following bioinformatics datatypes: chemical compounds, biochemical reactions, metabolic pathways, proteins, genes, nucleic acid sequences, features on protein and nucleic-acid sequences, organisms, organism taxonomies, and controlled vocabularies. As an application example, we applied BioWarehouse to determine the fraction of biochemically characterized enzyme activities for which no sequences exist in the public sequence databases. The answer is that no sequence exists for 36% of enzyme activities for which EC numbers have been assigned. These gaps in sequence data significantly limit the accuracy of genome annotation and metabolic pathway prediction, and are a barrier for metabolic engineering. Complex queries of this type provide examples of the value of the data warehousing approach to bioinformatics research. Conclusion BioWarehouse embodies significant progress on the

(Bio)transformation of 2,4-dinitroanisole (DNAN) in soils

Energy Technology Data Exchange (ETDEWEB)

Olivares, Christopher I., E-mail: olivarec@email.arizona.edu [Department of Chemical and Environmental Engineering, University of Arizona, P.O. Box 210011, Tucson, AZ 85721 (United States); Abrell, Leif [Department of Soil, Water & Environmental Science, University of Arizona, P.O. Box 210011, Tucson, AZ 85721 (United States); Department of Chemistry & Biochemistry, University of Arizona, P.O. Box 210011, Tucson, AZ 85721 (United States); Khatiwada, Raju; Chorover, Jon [Department of Soil, Water & Environmental Science, University of Arizona, P.O. Box 210011, Tucson, AZ 85721 (United States); Sierra-Alvarez, Reyes; Field, Jim A. [Department of Chemical and Environmental Engineering, University of Arizona, P.O. Box 210011, Tucson, AZ 85721 (United States)

2016-03-05

Highlights: • DNAN anaerobic transformation was faster than aerobic conversion. • Anaerobic DNAN conversion rate correlated well with soil organic carbon (≤2.07%). • H{sub 2} added as electron donor enhanced DNAN biotransformation. • DNAN nitroreduction lead to monomer products which coupled to form azo dimers. • Anaerobic transformation pathway and azo dimer formation mechanism were proposed. - Abstract: Recent studies have begun to assess the environmental fate and toxicity of 2,4-dinitroanisole (DNAN), an insensitive munition compound of interest to defense agencies. Aerobic and anaerobic DNAN biotransformation in soils was evaluated in this study. Under aerobic conditions, there was little evidence of transformation; most observed removal was attributed to adsorption and subsequent slow chemical reactions. Under anaerobic conditions, DNAN was reductively (bio)transformed and the rate of the transformation was positively correlated with soil organic carbon (OC) up to a threshold of 2.07% OC. H{sub 2} addition enhanced the nitroreduction rate compared to endogenous treatments lacking H{sub 2}. Heat-killed treatments provided rates similar to the endogenous treatment, suggesting that abiotic factors play a role in DNAN reduction. Ten (bio)transformation products were detected by high-resolution mass spectrometry. The proposed transformation pathway involves reduction of DNAN to aromatic amines, with putative reactive nitroso-intermediates coupling with the amines to form azo dimers. Secondary reactions include N-alkyl substitution, O-demethylation (sometimes followed by dehydroxylation), and removal of an N-containing group. Globally, our results suggest that the main reaction DNAN undergoes in anaerobic soils is nitroreduction to 2-methoxy-5-nitroaniline (MENA) and 2,4-diaminoanisole (DAAN), followed by anaerobic coupling reactions yielding azo-dimers. The dimers were subsequently subject to further (bio)transformations.

Mechanical and solubility properties of bio-nanocomposite film of semi refined kappa carrageenan/ZnO nanoparticles

Science.gov (United States)

Saputri, Apriliana Eka; Praseptiangga, Danar; Rochima, Emma; Panatarani, Camellia; Joni, I. Made

2018-02-01

The aim of this present work is to develop semi refined kappa carrageenan based bio-nanocomposite film as an alternative to synthetic petroleum based food packaging materials. Among natural polymers, carrageenan is one of the most promising material, since it is a renewable bioresource. The ZnO nanoparticles (0.5%; 1.0%; 1.5% w/w carrageenan) was incorporated into carrageenan polymer to prepare bio-nanocomposite films, where ZnO acts as reinforcement for carrageenan matrix. The mechanical and solubility properties of the prepared films were investigated as a function of ZnO concentration. The results indicated that the addition of ZnO exhibits greater solubility compared to the neat film. The elongation at break is insignificantly different on the films with and without addition ZnO. The tensile strength of the film was highest for the sample with 0.5% ZnO. These mechanical and solubility properties suggest that bio-nanocomposite film of semi refined kappa carrageenan and nanoparticle ZnO can be effectively used as food packaging material.

Formation of nitrogen-containing compounds during microwave pyrolysis of microalgae: Product distribution and reaction pathways.

Science.gov (United States)

Huang, Feng; Tahmasebi, Arash; Maliutina, Kristina; Yu, Jianglong

2017-12-01

The formation of nitrogen-containing compounds in bio-oil during microwave pyrolysis of Chlorella and Spirulina microalgae has been investigated in this study. Activated carbon (AC) and magnetite (Fe 3 O 4 ) were used as microwave receptors during microwave pyrolysis experiments. It has been found that the use of Fe 3 O 4 increased the total yield of bio-oil. The use of different microwave receptors did not seem to have affected the total yield of nitrogen-containing compounds in the bio-oil. However, Fe 3 O 4 promoted the formation of nitrogen-containing aliphatics, thereby reducing the formation of nitrogen-containing aromatics. The use of AC promoted the dehydration reactions during amino acid decomposition, thereby enhancing the formation of nitrogen-containing aromatics during pyrolysis. From the gas chromatography-mass spectrometry (GC-MS) analysis results, the major high-value nitrogen-containing compounds in the pyrolysis bio-oil of Chlorella and Spirulina were identified as indole and dodecamide. The formation mechanisms of nitrogen-containing compounds were proposed and discussed. Copyright © 2017 Elsevier Ltd. All rights reserved.

Self-activated, self-limiting reactions on Si surfaces

DEFF Research Database (Denmark)

Morgen, Per; Hvam, Jeanette; Bahari, Ali

The direct thermally activated reactions of oxygen and ammonia with Si surfaces in furnaces have been used for a very long time in the semiconductor industry for the growth of thick oxides and nitride layers respectively. The oxidation mechanism was described in the Deal-Grove model as a diffusion...... mechanism for the direct growth of ultrathin films (0-3 nm) of oxides and nitrides under ultrahigh vacuum conditions. Neutral oxygen and a microwave excited nitrogen plasma interact directly with Si surfaces kept at different temperatures during the reaction. The gas pressures are around 10-6 Torr...... energy of an oxide system, which happened for an ordered structure, at a thickness of 0.7-0.8 nm. Thus this thin oxide structure has definite crystalline features. We have closely monitored the reaction kinetics with normal x-ray induced photoelectron spectroscopies, and also the structure, composition...

Microwave-assisted synthesis of bio-active heterocycles in aqueous media

KAUST Repository

Polshettiwar, Vivek; Varma, Rajender S.

2010-01-01

Synthesis of bio-active heterocycles and fine chemicals in aqueous media are one of the best solutions for the development of green and sustainable protocols. To illustrate the advantages of aqueous MW chemistry in heterocycle synthesis

VISCOSITY ANALYSIS OF EMPTY FRUIT BUNCH (EFB BIO-OIL

Directory of Open Access Journals (Sweden)

Z.S. Nazirah

2013-12-01

Full Text Available Empty fruit bunches (EFB are one of the solid wastes produced by the palm oil industry, which is increasing rapidly. The aim of this paper is to analyse the viscosity of empty fruit bunch (EFB bio-oil that can be extracted from all solid waste EFB as a sample, and a few processes were executed. The samples underwent two processes, which were pre-treatment and pyrolysis. The pre-treatment involved three processes, namely, cutting, shredding and sieving, which were necessary in order to prepare EFB into a particle size suitable for the reactor. After that, the samples were fed into the feedback reactor as feedstock for the pyrolysis process to produce bio-oil. Once the bio-oil was produced, its viscosity was tested using the Brookfield Viscometer in two conditions: before and after the chemical reaction. The bio-oil was treated by adding 10 ml and 20 ml of acetone respectively through the chemical reaction. The viscosity test was carried out at different temperatures, which were 25°C, 30°C, 35°C, 40°C, 45°C and 50°C respectively. The observed viscosity of the EFB bio-oil varied and was higher as the temperature decreased. In addition, the viscosity of the EFB bio-oil was higher when it reacted chemically with the acetone added. Therefore, the results showed that the chemical reaction with acetone has the potential to increase the viscosity of EFB bio-oil.

Use of Isotopes for Studying Reaction Mechanisms

Indian Academy of Sciences (India)

of atoms during a chemical transformation. This strategy of determining reaction mechanisms is illustrated in the article with several examples. Introduction. When a reaction is carried out, the primary effort goes towards the identification of the product(s) of the reaction. A more time consuming endeavour, however, is the ...

Studying mechanism of radical reactions: From radiation to nitroxides as research tools

Science.gov (United States)

Maimon, Eric; Samuni, Uri; Goldstein, Sara

2018-02-01

Radicals are part of the chemistry of life, and ionizing radiation chemistry serves as an indispensable research tool for elucidation of the mechanism(s) underlying their reactions. The ever-increasing understanding of their involvement in diverse physiological and pathological processes has expanded the search for compounds that can diminish radical-induced damage. This review surveys the areas of research focusing on radical reactions and particularly with stable cyclic nitroxide radicals, which demonstrate unique antioxidative activities. Unlike common antioxidants that are progressively depleted under oxidative stress and yield secondary radicals, nitroxides are efficient radical scavengers yielding in most cases their respective oxoammonium cations, which are readily reduced back in the tissue to the nitroxide thus continuously being recycled. Nitroxides, which not only protect enzymes, cells, and laboratory animals from diverse kinds of biological injury, but also modify the catalytic activity of heme enzymes, could be utilized in chemical and biological systems serving as a research tool for elucidating mechanisms underlying complex chemical and biochemical processes.

Information processing through a bio-based redox capacitor: signatures for redox-cycling.

Science.gov (United States)

Liu, Yi; Kim, Eunkyoung; White, Ian M; Bentley, William E; Payne, Gregory F

2014-08-01

Redox-cycling compounds can significantly impact biological systems and can be responsible for activities that range from pathogen virulence and contaminant toxicities, to therapeutic drug mechanisms. Current methods to identify redox-cycling activities rely on the generation of reactive oxygen species (ROS), and employ enzymatic or chemical methods to detect ROS. Here, we couple the speed and sensitivity of electrochemistry with the molecular-electronic properties of a bio-based redox-capacitor to generate signatures of redox-cycling. The redox capacitor film is electrochemically-fabricated at the electrode surface and is composed of a polysaccharide hydrogel with grafted catechol moieties. This capacitor film is redox-active but non-conducting and can engage diffusible compounds in either oxidative or reductive redox-cycling. Using standard electrochemical mediators ferrocene dimethanol (Fc) and Ru(NH3)6Cl3 (Ru(3+)) as model redox-cyclers, we observed signal amplifications and rectifications that serve as signatures of redox-cycling. Three bio-relevant compounds were then probed for these signatures: (i) ascorbate, a redox-active compound that does not redox-cycle; (ii) pyocyanin, a virulence factor well-known for its reductive redox-cycling; and (iii) acetaminophen, an analgesic that oxidatively redox-cycles but also undergoes conjugation reactions. These studies demonstrate that the redox-capacitor can enlist the capabilities of electrochemistry to generate rapid and sensitive signatures of biologically-relevant chemical activities (i.e., redox-cycling). Published by Elsevier B.V.

Effect of sodium carbonate catalyst weight on production of bio-oil via thermochemical liquefaction of corncobs in ethanol-water solution

Science.gov (United States)

Sembodo, Bregas Siswahjono Tatag; Sulistyo, Hary; Sediawan, Wahyudi Budi; Fahrurrozi, Mohammad

2018-02-01

Lignocellulosic biomass has recently received serious attention as an energy source that can replace fossil fuels. Corncob is one of lignocellulosic biomass wastes, which can be further processed into bio-oil through thermochemical liquefaction process. Bio-oil is expected to be further processed into fuel oil. In this research the effect of Na2CO3 catalyst weight on the yield of bio-oil was investigated. The composition of bio-oil produced in this process was analyzed by GC-MS. Bio-oil formation rate were analyzed through mathematical model development. First model aasumed as an isothermal process, while second model was not. It is found that both models were able to provide a good approach to experimental data. The average reaction rate constants was obtained from isothermal model, while the activation energy level and collision factors were obtained from non-isothermal model. The reaction rate will increase by addition of Na2CO3 (0 - 0.5 g) as catalyst to 250 mL system solution, then the activation energy will decrease from 1964.265 joules/mole to 1029.994 joules/mole. The GC-MS analysis results showed that the bio-oil were contained of ester compounds, phenolic compounds, cyclic compunds, heterocyclic compounds, and poly-alcohols compounds.

Thermal cracking of Enteromorpha prolifera with solvents to bio-oil

International Nuclear Information System (INIS)

Song, Linhua; Hu, Mingming; Liu, Dong; Zhang, Daoxiang; Jiang, Cuiyu

2014-01-01

Highlights: • Thermal cracking of EP gave rise to a maximum bio-oil yield of 27.4 wt.% at 340 °C and 40 min. • The maximum liquid yield of EP/ethonal is 36.7 wt.% at 300 °C and 30 min. • The maximum liquid yield of EP/VGO is 90.5 wt.% at 300 °C and 30 min. • The HHV of bio-oil from thermal cracking of EP/VGO is 44.51 MJ/kg. • This process has the potential for industrial production of bio-oil from EP. - Abstract: Enteromorpha prolifera (EP) is a renewable energy source that was evaluated as a feedstock to produce bio-oil by thermal cracking. Harvesting EP for bio-oil production will also reduce the damage of green tide on ocean ecology. Effects of reaction temperature between 220 and 380 °C and reaction time between 20 and 80 min on the bio-oil yield and gas and solid thermal cracking products were investigated. Effects of solvents (i.e., ethanol and vacuum gas oil (VGO)) on the yields of bio-oil, gas and solid were also studied. EP, VGO and products from thermal cracking were analyzed by elemental analysis, gas chromatography–mass spectra and gas chromatography. Results indicate that thermal cracking of EP with VGO (EP/VGO) gave rise to the maximum bio-oil yield of 90.5% at 300 °C with a reaction time of 30 min. Higher heating values and elemental analysis demonstrate that this process has the potential for industrial production of bio-oil from EP

Real-time nonlinear feedback control of pattern formation in (bio)chemical reaction-diffusion processes: a model study.

Science.gov (United States)

Brandt-Pollmann, U; Lebiedz, D; Diehl, M; Sager, S; Schlöder, J

2005-09-01

Theoretical and experimental studies related to manipulation of pattern formation in self-organizing reaction-diffusion processes by appropriate control stimuli become increasingly important both in chemical engineering and cellular biochemistry. In a model study, we demonstrate here exemplarily the application of an efficient nonlinear model predictive control (NMPC) algorithm to real-time optimal feedback control of pattern formation in a bacterial chemotaxis system modeled by nonlinear partial differential equations. The corresponding drift-diffusion model type is representative for many (bio)chemical systems involving nonlinear reaction dynamics and nonlinear diffusion. We show how the computed optimal feedback control strategy exploits the system inherent physical property of wave propagation to achieve desired control aims. We discuss various applications of our approach to optimal control of spatiotemporal dynamics.

Elucidation of the thermal deterioration mechanism of bio-oil pyrolyzed from rice husk using Fourier transform infrared spectroscopy.

Science.gov (United States)

Xu, Fang; Xu, Yu; Lu, Rui; Sheng, Guo-Ping; Yu, Han-Qing

2011-09-14

In this study, the rationale for exploring the thermal deterioration mechanism of the bio-oil pyrolyzed from rice husk is established. This is based on identification of the unstable intermediates in the thermal deterioration process. Fourier transform infrared (FTIR) spectroscopy was used to monitor such a thermal deterioration process of bio-oil samples in thermal treatment and/or during long-term storage at ambient temperatures of 20-30 °C. Terminal olefins, as a key intermediate, so-called "signature", were identified qualitatively by using FTIR spectroscopy. A band shift observed at 880 cm(-1), which was assigned to the C-H out-of-plane deformation vibration of terminal olefins, indicates the start-up of the bio-oil thermal deterioration. A two-step pathway was proposed to describe the thermal deterioration process of bio-oil. This study suggests that the status of bio-oil could be rapidly monitored by the FTIR method.

Bio-fuels

International Nuclear Information System (INIS)

2008-01-01

This report presents an overview of the technologies which are currently used or presently developed for the production of bio-fuels in Europe and more particularly in France. After a brief history of this production since the beginning of the 20. century, the authors describe the support to agriculture and the influence of the Common Agricultural Policy, outline the influence of the present context of struggle against the greenhouse effect, and present the European legislative context. Data on the bio-fuels consumption in the European Union in 2006 are discussed. An overview of the evolution of the activity related to bio-fuels in France, indicating the locations of ethanol and bio-diesel production facilities, and the evolution of bio-fuel consumption, is given. The German situation is briefly presented. Production of ethanol by fermentation, the manufacturing of ETBE, the bio-diesel production from vegetable oils are discussed. Second generation bio-fuels are then presented (cellulose enzymatic processing), together with studies on thermochemical processes and available biomass resources

Combinatorial Nano-Bio Interfaces.

Science.gov (United States)

Cai, Pingqiang; Zhang, Xiaoqian; Wang, Ming; Wu, Yun-Long; Chen, Xiaodong

2018-06-08

Nano-bio interfaces are emerging from the convergence of engineered nanomaterials and biological entities. Despite rapid growth, clinical translation of biomedical nanomaterials is heavily compromised by the lack of comprehensive understanding of biophysicochemical interactions at nano-bio interfaces. In the past decade, a few investigations have adopted a combinatorial approach toward decoding nano-bio interfaces. Combinatorial nano-bio interfaces comprise the design of nanocombinatorial libraries and high-throughput bioevaluation. In this Perspective, we address challenges in combinatorial nano-bio interfaces and call for multiparametric nanocombinatorics (composition, morphology, mechanics, surface chemistry), multiscale bioevaluation (biomolecules, organelles, cells, tissues/organs), and the recruitment of computational modeling and artificial intelligence. Leveraging combinatorial nano-bio interfaces will shed light on precision nanomedicine and its potential applications.

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.

Influence of enzymatic reactions on the electrochemical behavior of EN X2CrNiMo17-11-2 (AISI 316L) stainless steel in bio-corrosion: role of interfacial processes on the modification of the passive layer; Influence des reactions enzymatiques sur le comportement electrochimique de l'acier inoxydable ENX2CrNiMo17-11-2 (AISI 316L) en biocorrosion: role des processus interfaciaux sur la modification du film passif

Energy Technology Data Exchange (ETDEWEB)

Landoulsi, J

2008-01-15

The outstanding corrosion behavior of stainless steels (SS) results from the presence of thin oxide layer (some nanometers). In non sterile aqueous media, stainless steels may exhibit a non stable behavior resulting from interactions between microbial species and passive film. In fact, microorganisms can be deeply involved in the corrosion processes usually reported as Microbial Influenced Corrosion (MIC). They can induce the initiation or the acceleration of this phenomenon and they do so when organized in bio-films. From the electrochemical point of view, stainless steels showed an increase of the free corrosion potential (Ecorr) attributed to the bio-film settlement. The Eco' ennoblement was broadly reported in seawater and seems to be confirmed in fresh water according to recent findings. A considerable progress in the comprehension of MIC processes was related to the role of extracellular species, essentially enzymes. Many enzymatic reactions occurring in bio-films consist on using oxygen as electron acceptor to generate hydrogen peroxide and related species. The aim of this work is to understand the mechanisms involved in the electrochemical behavior of stainless steel according to an enzymatic approach in medium simulating fresh water. To this end, glucose oxidase was chosen to globalize aerobic activities of bio-films. Electrochemical measurements in situ and surface analysis allow the comprehension of the role and the nature of interfacial processes. Surface characterization was performed with the help of a new quantitative utilization of XPS analysis and AFM. Results show a significant evolution in term of morphology (surface organization), (ii) chemical composition (passive layer, adsorbed organic species) and (iii) chemical reaction (oxidation, dissolution, effect of enzyme). Finally, a new enzymatic system is proposed to mimic specific physicochemical conditions at the SS / bio-film interface, in particular enzymatic generation of oxidant species

Ion beam processing of bio-ceramics

International Nuclear Information System (INIS)

Ektessabi, A.M.

1995-01-01

Thin films of bio-inert (TiO 2+α , Al 2 O 3+α ) and bio-active (compounds of calcium and phosphorus oxides, hydroxy-apatite) were deposited on the most commonly used implant materials such as titanium and stainless steel, using a dual-ion-beam deposition system. Rutherford backscattering spectroscopy was carried out for quantitative measurement of the interfacial atomic mixing and the composition of the elements. The experimental results show that by controlling the ion beam energy and current, thin films with very good mechanical properties are obtained as a result of the ion beam mixing within the film and at the interface of the film and substrate. (orig.)

Ion beam processing of bio-ceramics

Science.gov (United States)

Ektessabi, A. M.

1995-05-01

Thin films of bio-inert (TiO 2+α, Al 2O 3+α) and bio-active (compounds of calcium and phosphorus oxides, hydroxyapatite) were deposited on the most commonly used implant materials such as titanium and stainless steel, using a dual-ion-beam deposition system. Rutherford backscattering spectroscopy was carried out for quantitative measurement of the interfacial atomic mixing and the composition of the elements. The experimental results show that by controlling the ion beam energy and current, thin films with very good mechanical properties are obtained as a result of the ion beam mixing within the film and at the interface of the film and substrate.

Bioelectronic platforms for optimal bio-anode of bio-electrochemical systems: From nano- to macro scopes.

Science.gov (United States)

Kim, Bongkyu; An, Junyeong; Fapyane, Deby; Chang, In Seop

2015-11-01

The current trend of bio-electrochemical systems is to improve strategies related to their applicability and potential for scaling-up. To date, literature has suggested strategies, but the proposal of correlations between each research field remains insufficient. This review paper provides a correlation based on platform techniques, referred to as bio-electronics platforms (BEPs). These BEPs consist of three platforms divided by scope scale: nano-, micro-, and macro-BEPs. In the nano-BEP, several types of electron transfer mechanisms used by electrochemically active bacteria are discussed. In the micro-BEP, factors affecting the formation of conductive biofilms and transport of electrons in the conductive biofilm are investigated. In the macro-BEP, electrodes and separators in bio-anode are debated in terms of real applications, and a scale-up strategy is discussed. Overall, the challenges of each BEP are highlighted, and potential solutions are suggested. In addition, future research directions are provided and research ideas proposed to develop research interest. Copyright © 2015 Elsevier Ltd. All rights reserved.

Reaction mechanism of reductive decomposition of FGD gypsum with anthracite

International Nuclear Information System (INIS)

Zheng, Da; Lu, Hailin; Sun, Xiuyun; Liu, Xiaodong; Han, Weiqing; Wang, Lianjun

2013-01-01

Highlights: • The reaction mechanism was different if the molar ratio of C/CaSO 4 was different. • The yield of CaO rises with an increase in temperature. • The optimal ratio of C/CaSO 4 = 1.2:1. • The decomposition process is mainly apparent solid–solid reaction with liquid-phase involved. - Abstract: The process of decomposition reaction between flue gas desulfurization (FGD) gypsum and anthracite is complex, which depends on the reaction conditions and atmosphere. In this study, thermogravimetric analysis with Fourier transform infrared spectroscopy (TGA-FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM) and the experiment in a tubular reactor were used to characterize the decomposition reaction in a nitrogen atmosphere under different conditions. The reaction mechanism analysis showed that the decomposition reaction process and mechanism were different when the molar proportion of C/CaSO 4 was changed. The experiment results showed that appropriate increase in the C/CaSO 4 proportion and higher temperatures were suitable for the formation of the main production of CaO, which can help us to understand the solid state reaction mechanism better. Via kinetic analysis of the reaction between anthracite and FGD gypsum under the optimal molar ratio of C/CaSO 4 , the mechanism model of the reaction was confirmed and the decomposition process was a two-step reaction which was in accordance with apparent solid–solid reaction

Public Perception of Bio fuels; Percepcion Publica de los Biocombustibles

Energy Technology Data Exchange (ETDEWEB)

Oltra, C.; Priolo, V.

2011-11-10

The deployment of bio fuels has generated a significant controversy in the energy, agricultural and environmental fields. Governments and promoters around the world have advocated for developing bio fuels based on their potential contribution to emissions reduction and energy security. But opposition to bio fuels has growth in the last years. Environmental NGO's and other stake holders have called for a review of the environmental and social sustainability of energy crops. This controversy has characterized the public debate around bio fuels. In this context, and given the need to improve public involvement in energy technologies, this article reports an investigation of Spanish citizens' perceptions about bio fuels. The study investigated the perceptions of informed citizens and the reasoning basis underlying beliefs and attitudes. The study finds an initial positive association of bio fuels to a clean and natural fuel that is mitigated by participants' concerns on the practical usage of bio fuels and the social and environmental impacts. Study participants' reactions show the need to differentiate among the diverse groups of publics holding differing views and a different reaction to information on the benefits and costs of bio fuels. (Author) 9 refs.

Public Perception of Bio fuels; Percepcion Publica de los Biocombustibles

Energy Technology Data Exchange (ETDEWEB)

Oltra, C; Priolo, V

2011-11-10

The deployment of bio fuels has generated a significant controversy in the energy, agricultural and environmental fields. Governments and promoters around the world have advocated for developing bio fuels based on their potential contribution to emissions reduction and energy security. But opposition to bio fuels has growth in the last years. Environmental NGO's and other stake holders have called for a review of the environmental and social sustainability of energy crops. This controversy has characterized the public debate around bio fuels. In this context, and given the need to improve public involvement in energy technologies, this article reports an investigation of Spanish citizens' perceptions about bio fuels. The study investigated the perceptions of informed citizens and the reasoning basis underlying beliefs and attitudes. The study finds an initial positive association of bio fuels to a clean and natural fuel that is mitigated by participants' concerns on the practical usage of bio fuels and the social and environmental impacts. Study participants' reactions show the need to differentiate among the diverse groups of publics holding differing views and a different reaction to information on the benefits and costs of bio fuels. (Author) 9 refs.

Construction of combustion models for rapeseed methyl ester bio-diesel fuel for internal combustion engine applications.

Science.gov (United States)

Golovitchev, Valeri I; Yang, Junfeng

2009-01-01

Bio-diesel fuels are non-petroleum-based diesel fuels consisting of long chain alkyl esters produced by the transesterification of vegetable oils, that are intended for use (neat or blended with conventional fuels) in unmodified diesel engines. There have been few reports of studies proposing theoretical models for bio-diesel combustion simulations. In this study, we developed combustion models based on ones developed previously. We compiled the liquid fuel properties, and the existing detailed mechanism of methyl butanoate ester (MB, C(5)H(10)O(2)) oxidation was supplemented by sub-mechanisms for two proposed fuel constituent components, C(7)H(16) and C(7)H(8)O (and then, by mp2d, C(4)H(6)O(2) and propyne, C(3)H(4)) to represent the combustion model for rapeseed methyl ester described by the chemical formula, C(19)H(34)O(2) (or C(19)H(36)O(2)). The main fuel vapor thermal properties were taken as those of methyl palmitate C(19)H(36)O(2) in the NASA polynomial form of the Burcat database. The special global reaction was introduced to "crack" the main fuel into its constituent components. This general reaction included 309 species and 1472 reactions, including soot and NO(x) formation processes. The detailed combustion mechanism was validated using shock-tube ignition-delay data under diesel engine conditions. For constant volume and diesel engine (Volvo D12C) combustion modeling, this mechanism could be reduced to 88 species participating in 363 reactions.

Various bio-mechanical factors affecting heat generation during osteotomy preparation: A systematic review.

Science.gov (United States)

Chauhan, Chirag J; Shah, Darshana N; Sutaria, Foram B

2018-01-01

As implant site preparation and bone are critical precursors to primary healing, thermal and mechanical damage to the bone must be minimized during the preparation of the implant site. Moreover, excessively traumatic surgery can adversely affect the maturation of bone tissue at the bone/implant interface and consequently diminish the predictability of osseointegration. So, this study was carried out to evaluate the various biological and mechanical factors responsible for heat generation during osteotomy site preparation to reduce the same for successful osseointegration of dental implants. A broad search of the dental literature in PubMed added by manual search was performed for articles published between 1992 and December 2015. Various bio-mechanical factors related to dental implant osteotomy preparation such as dental implant drill designs/material/wear, drilling methods, type of irrigation, and bone quality were reviewed. Titles and abstracts were screened and articles which fulfilled the inclusion criteria were selected for a full-text reading. The initial database search yielded 123 titles, of which 59 titles were discarded after reading the titles and abstracts, 30 articles were again excluded based on inclusion and exclusion criteria, and finally 34 articles were selected for data extraction. Many biological and mechanical factors responsible for heat generation were found. Literatures of this review study have indicated that there are various bio-mechanical reasons, which affect the temperature rise during osteotomy and suggest that the amount of heat generation is a multifactorial in nature and it should be minimized for better primary healing of the implant site.

Enhancement Mechanisms of Low Energy Nuclear Reactions

OpenAIRE

Gareev, F. A.; Zhidkova, I. E.

2005-01-01

The review of possible stimulation mechanisms of LENR (low energy nuclear reaction) is represented. We have concluded that transmutation of nuclei at low energies and excess heat are possible in the framework of the modern physical theory - the universal resonance synchronization principle [1] and based on its different enhancement mechanisms of reaction rates are responsible for these processes [2]. The excitation and ionization of atoms may play role as a trigger for LENR. Superlow energy o...

Exchange reaction between hydrogen and deuterium. II - Proposal for an heterogeneous initiation mechanism of gaseous phase reactions

Energy Technology Data Exchange (ETDEWEB)

Marteau, Chantal; Gaillard-Cusin, Francoise; James, Henri [Centre National de la Recherche Scientifique, 45 - Orleans-la-Source (France). Centre de Recherches sur la Chimie de Combustion et des Hautes Temperatures

1978-05-01

Investigation of experimental data related to evolution period exhibited by H/sub 2/-D/sub 2/ exchange process requires to take into account the variation against time of every atomic species -adsorbed or not- implied in the reaction mechanism. The formation of first chain carriers involves: - chemisorption of either gaseous reactant on the surface active centres (..sigma..), e.g.: ..sigma.. + 1/2 H/sub 2/ reversible ..sigma..H; - consecutive generation of atomic species through hetero-homogeneous transfer between chemisorbed species (..sigma..H) and gaseous molecules: ..sigma..H+H/sub 2/..--> sigma..+H/sub 2/+H/sup 0/, ..sigma..H+D/sub 2/..--> sigma..+HD+D/sup 0/. Therefore, it can be shown that the heterogeneous initiation process of a gas phase reaction identifies to a chain linear mechanism. Such an heterogeneous sequence conditions the further proceeding of the homogeneous chain reaction; both evolutions being kinematically connected. Rate constant of hydrogen adsorption on silica glass: ksub(a1) approximately 10/sup 14/ exp(-47/RT)Isup(0,5).molesup(-0,5).S/sup -1/ has been evaluated.

The Atmospherically Important Reaction of Hydroxyl Radicals with Methyl Nitrate: A Theoretical Study Involving the Calculation of Reaction Mechanisms, Enthalpies, Activation Energies, and Rate Coefficients.

Science.gov (United States)

Ng, Maggie; Mok, Daniel K W; Lee, Edmond P F; Dyke, John M

2017-09-07

A theoretical study, involving the calculation of reaction enthalpies, activation energies, mechanisms, and rate coefficients, was made of the reaction of hydroxyl radicals with methyl nitrate, an important process for methyl nitrate removal in the earth's atmosphere. Four reaction channels were considered: formation of H 2 O + CH 2 ONO 2 , CH 3 OOH + NO 2 , CH 3 OH + NO 3 , and CH 3 O + HNO 3 . For all channels, geometry optimization and frequency calculations were performed at the M06-2X/6-31+G** level, while relative energies were improved at the UCCSD(T*)-F12/CBS level. The major channel is found to be the H abstraction channel, to give the products H 2 O + CH 2 ONO 2 . The reaction enthalpy (ΔH 298 K RX ) of this channel is computed as -17.90 kcal mol -1 . Although the other reaction channels are also exothermic, their reaction barriers are high (>24 kcal mol -1 ), and therefore these reactions do not contribute to the overall rate coefficient in the temperature range considered (200-400 K). Pathways via three transition states were identified for the H abstraction channel. Rate coefficients were calculated for these pathways at various levels of variational transition state theory including tunneling. The results obtained are used to distinguish between two sets of experimental rate coefficients, measured in the temperature range of 200-400 K, one of which is approximately an order of magnitude greater than the other. This comparison, as well as the temperature dependence of the computed rate coefficients, shows that the lower experimental values are favored. The implications of the results to atmospheric chemistry are discussed.

Study on indium leaching from mechanically activated hard zinc residue

Directory of Open Access Journals (Sweden)

Yao J.H.

2011-01-01

Full Text Available In this study, changes in physicochemical properties and leachability of indium from mechanically activated hard zinc residue by planetary mill were investigated. The results showed that mechanical activation increased specific surface area, reaction activity of hard zinc residue, and decreased its particle size, which had a positive effect on indium extraction from hard zinc residue in hydrochloric acid solution. Kinetics of indium leaching from unmilled and activated hard zinc residue were also investigated, respectively. It was found that temperature had an obvious effect on indium leaching rate. Two different kinetic models corresponding to reactions which are diffusion controlled, [1-(1- x1/3]2=kt and (1-2x/3-(1-x2/3=kt were used to describe the kinetics of indium leaching from unmilled sample and activated sample, respectively. Their activation energies were determined to be 17.89 kJ/mol (umilled and 11.65 kJ/mol (activated within the temperature range of 30°C to 90°C, which is characteristic for a diffusion controlled process. The values of activation energy demonstrated that the leaching reaction of indium became less sensitive to temperature after hard zinc residue mechanically activated by planetary mill.

Hydrodeoxygenation of Pyrolysis Bio-Oil Over Ni Impregnated Mesoporous Materials.

Science.gov (United States)

Lee, In-Gu; Lee, Heejin; Kang, Bo Sung; Kim, Young-Min; Kim, Sang Chai; Jung, Sang-Chul; Ko, Chang Hyun; Park, Young-Kwon

2018-02-01

The catalytic hydrodeoxygenation (HDO) of bio-oil over Ni-supported mesoporous materials was performed using a high pressure autoclave reactor. The actual pyrolysis oil of cork oak wood was used as a sample, and Ni/Al-SBA-15 and Ni/Al-MSU-F were used as catalysts. In addition, supercritical ethanol was added as solvent. Both Ni-supported mesoporous catalysts showed efficient HDO reaction ability. A higher heating value and pH of bio-oil were achieved by the HDO reaction over both catalysts and upgraded bio-oil had a lower viscosity. Compared to Ni/Al-MSU-F, Ni/Al- SBA-15 produced more upgraded bio-oil with a lower oxygen content and higher heating value via a catalytic HDO process.

Radiation-protective drugs and their reaction mechanisms

International Nuclear Information System (INIS)

Livesey, J.C.; Reed, D.J.; Adamson, L.F.

1985-01-01

The objective of this book is to provide the reader with a concise review of radioprotective drugs and their reaction mechanisms. The first chapter reviews the effect of radiation on biological systems at the atomic, molecular, and subcellular levels. The second chapter discusses endogenous factors that influence radioresistance. Chapter 3 presents the main theme of the book, chemical radioprotection and its mechanisms, and examines the basis of natural radioprotection and how it may be affected by exogenous chemicals. Chapter 4, the Therapy of Radiation Damage, is a very brief general discussion that only touches on some of the experimental approaches to therapy. Chapter 5 contains recommendations for future research. The two appendices list research in progress in the United States and some radioprotective compounds of possible investigational interest. Also included is a brief discussion of structure-activity relationships

Bio-absorption evaluation procedure with gamma irradiated for brachytherapy strand application

International Nuclear Information System (INIS)

Leme, Ednilse; Silva, Patricia C.P.; Rostelato, Maria Elisa C.M.; Moriguchi, Patricia; Ribeiro, Suzana P.; Manzoli, Jose E.

2007-01-01

Bio-absorbable sutures are largely used to hold and wind tissues together in good apposition until completing the healing process, without needing future removal. There are some materials commonly used for these sutures, such as polyglycolide, polylactide, poly(ecaprolactone), mucosa or beef intestines. Some of these materials have marked or moderate tissue reaction, like mucosa or beef intestines, and could not be used for some delicate applications, like braiding brachytherapy seed strands. The best option for this application is Vicryl sutures, trade mark of Johnson and Johnson company. Vicryl has a bio-absorption time still a little long, for brachytherapy application, but it could be accelerated imparting a dose of ionizing radiation in the strand, before using it. In this work, it is shown the procedure where small hanks of Vicryl wires (fifteen centimeters unrolled), surgical diameter number 7-0 (∼50 mm), were inserted into rats underskin and removed for mechanical and histological evaluation after 15, 30 and 60 days. Wire samples were irradiated with gamma doses of 10, 25 and 50 kGy, besides those non-irradiated. Preliminary mechanical evaluation was carried out in a EMIC DL 2000 machine, using NBR 13904 standard normative test. Fifty grays caused great degradation on wires, preventing any traction evaluation. Small doses are promising for accelerating bio-absorption and the samples mechanical tests results will be the scope of a future work. (author)

The coupled bio-chemo-electro-mechanical behavior of glucose exposed arterial elastin

International Nuclear Information System (INIS)

Zhang, Yanhang; Li, Jiangyu; Boutis, Gregory S

2017-01-01

Elastin, the principle protein component of the elastic fiber, is a critical extracellular matrix (ECM) component of the arterial wall providing structural resilience and biological signaling essential in vascular morphogenesis and maintenance of mechanical homeostasis. Pathogenesis of many cardiovascular diseases have been associated with alterations of elastin. As a long-lived ECM protein that is deposited and organized before adulthood, elastic fibers can suffer from cumulative effects of biochemical exposure encountered during aging and/or disease, which greatly compromise their mechanical function. This review article covers findings from recent studies of the mechanical and structural contribution of elastin to vascular function, and the effects of biochemical degradation. Results from diverse experimental methods including tissue-level mechanical characterization, fiber-level nonlinear optical imaging, piezoelectric force microscopy, and nuclear magnetic resonance are reviewed. The intriguing coupled bio-chemo-electro-mechanical behavior of elastin calls for a multi-scale and multi-physical understanding of ECM mechanics and mechanobiology in vascular remodeling. (topical review)

The coupled bio-chemo-electro-mechanical behavior of glucose exposed arterial elastin

Science.gov (United States)

Zhang, Yanhang; Li, Jiangyu; Boutis, Gregory S.

2017-04-01

Elastin, the principle protein component of the elastic fiber, is a critical extracellular matrix (ECM) component of the arterial wall providing structural resilience and biological signaling essential in vascular morphogenesis and maintenance of mechanical homeostasis. Pathogenesis of many cardiovascular diseases have been associated with alterations of elastin. As a long-lived ECM protein that is deposited and organized before adulthood, elastic fibers can suffer from cumulative effects of biochemical exposure encountered during aging and/or disease, which greatly compromise their mechanical function. This review article covers findings from recent studies of the mechanical and structural contribution of elastin to vascular function, and the effects of biochemical degradation. Results from diverse experimental methods including tissue-level mechanical characterization, fiber-level nonlinear optical imaging, piezoelectric force microscopy, and nuclear magnetic resonance are reviewed. The intriguing coupled bio-chemo-electro-mechanical behavior of elastin calls for a multi-scale and multi-physical understanding of ECM mechanics and mechanobiology in vascular remodeling.

The importance of a hot-sequential mechanism in triplet-state formation by charge recombination in reaction centers of bacterial photosynthesis

International Nuclear Information System (INIS)

Saito, K.; Mukai, K.; Sumi, H.

2006-01-01

In photosynthesis, pigment-excitation energies in the antenna system produced by light harvesting are transferred among antenna pigments toward the core antenna, where they are captured by the reaction center and initially fixed in the form of a charge separation. Primary charge separation between an oxidized special pair (P + ) and a reduced bacteriopheohytin (H - ) is occasionally intervened by recombination, and a spin-triplet state ( 3 P*) is formed on P in the bacterial reaction center. The 3 P* state is harmful to bio-organisms, inducing the formation of the highly damaging singlet oxygen species. Therefore, understanding the 3 P*-formation mechanism is important. The 3 P* formation is mediated by a state |m> of intermediate charge separation between P and the accessory chlorophyll, which is located between P and H. It will be shown theoretically in the present work that at room temperature, not only the mechanism of superexchange by quantum-mechanical virtual mediation at |m>, but also a hot-sequential mechanism contributes to the mediation. In the latter, although |m> is produced as a real state, the final state 3 P* is quickly formed during thermalization of phonons in the protein matrix in |m>. In the former, the final state is formed more quickly before dephasing-thermalization of phonons in |m>. 3 P* is unistep formed from the charge-separated state in the both mechanisms

Reaction mechanisms in heavy ion fusion

Directory of Open Access Journals (Sweden)

Lubian J.

2011-10-01

Full Text Available We discuss the reaction mechanisms involved in heavy ion fusion. We begin with collisions of tightly bound systems, considering three energy regimes: energies above the Coulomb barrier, energies just below the barrier and deep sub-barrier energies. We show that channel coupling effects may influence the fusion process at above-barrier energies, increasing or reducing the cross section predicted by single barrier penetration model. Below the Coulomb barrier, it enhances the cross section, and this effect increases with the system’s size. It is argued that this behavior can be traced back to the increasing importance of Coulomb coupling with the charge of the collision partners. The sharp drop of the fusion cross section observed at deep sub-barrier energies is addressed and the theoretical approaches to this phenomenon are discussed. We then consider the reaction mechanisms involved in fusion reactions of weakly bound systems, paying particular attention to the calculations of complete and incomplete fusion available in the literature.

Sugarcane bagasse gasification: Global reaction mechanism of syngas evolution

International Nuclear Information System (INIS)

Ahmed, I.I.; Gupta, A.K.

2012-01-01

Highlights: ► Gasification of sugarcane bagasse has been investigated using a semi batch reactor. ► Global reaction mechanism combining pyrolysis and gasification reactions is presented. ► High flow rates of syngas supported fragmentation and secondary reactions. ► CO flow rate increased at higher heating rates at the expense of CO 2 production. ► At high temperatures merger between pyrolysis and char gasification occurs. -- Abstract: Steam gasification of sugarcane bagasse has been investigated. A semi batch reactor with a fixed amount of sugarcane bagasse sample placed in steady flow of high temperature steam at atmospheric pressure has been used. The gasification of bagasse was examined at reactor and steam temperatures of 800, 900 and 1000 °C. The evolution of syngas flow rate and chemical composition has been monitored. The evolution of chemical composition and total flow rate of the syngas has been used to formulate a global reaction mechanism. The mechanism combines pyrolysis reaction mechanisms from the literature and steam gasification/reforming reactions. Steam gasification steps include steam–hydrocarbons reforming, char gasification and water gas shift reactions. Evidence of fragmentation, secondary ring opening reactions and tertiary reactions resulting in formation of gaseous hydrocarbons is supported by higher flow rates of syngas and hydrogen at high heating rates and high reactor temperatures. Increase in carbon monoxide flow rate at the expense of carbon dioxide flow rate with the increase in reactor temperature has been observed. This increase in the ratio of CO/CO 2 flow rate confirms the production of CO and CO 2 from the competing reaction routes. At 1000 °C gasification a total merging between the pyrolysis step and the char gasification step has been observed. This is attributed to acceleration of char gasification reactions and acceleration of steam–hydrocarbons reforming reactions. These hydrocarbons are the precursors to

Modeling the mechanism of glycosylation reactions between ethanol, 1,2-ethanediol and methoxymethanol.

Science.gov (United States)

Azofra, Luis Miguel; Alkorta, Ibon; Toro-Labbé, Alejandro; Elguero, José

2013-09-07

The mechanism of the S(N)2 model glycosylation reaction between ethanol, 1,2-ethanediol and methoxymethanol has been studied theoretically at the B3LYP/6-311+G(d,p) computational level. Three different types of reactions have been explored: (i) the exchange of hydroxyl groups between these model systems; (ii) the basic catalysis reactions by combination of the substrates as glycosyl donors (neutral species) and acceptors (enolate species); and (iii) the effect on the reaction profile of an explicit H2O molecule in the reactions considered in (ii). The reaction force, the electronic chemical potential and the reaction electronic flux have been characterized for the reaction path in each case. Energy calculations show that methoxymethanol is the worst glycosyl donor model among the ones studied here, while 1,2-ethanediol is the best, having the lowest activation barrier of 74.7 kJ mol(-1) for the reaction between this one and the ethanolate as the glycosyl acceptor model. In general, the presence of direct interactions between the atoms involved in the penta-coordinated TS increases the activation energies of the processes.

A Cognitively Oriented Psychologist Looks at Bio-feedback

Science.gov (United States)

Lazarus, Richard S.

1975-01-01

It is advocated that bio-feedback research be approached within the larger context of emotion and adaption and oriented to the wide variety of mediators that affect the reaction pattern, rather than be treated as a special or unique kind of process limited to the bio-feedback laboratory. (EH)

Elimination Reactions of (E)-2,4,6-Trinitrobenzaldehyde O-benzoyloximes Promoted by R2NH in MeCN. Change of Reaction Mechanism

International Nuclear Information System (INIS)

Cho, Bong Rae; Pyun, Sang Yong

2010-01-01

We have studied the nitrile-forming elimination reactions from 1 promoted by R 2 NH in MeCN. The reaction proceeded by (E1cb) irr mechanism. Change of the β-aryl group from 2,4-dinitrophenyl to a more strongly electron-withdrawing 2,4,6-trinitrophenyl increased the reaction rate by 470-fold, shifted the transition state toward more reactant-like, and changed the reaction mechanism from E2 to (E1cb) irr . To the best of our knowledge, this is the first example of nitrile-forming elimination reaction that proceeds by the (E1cb) irr mechanism in MeCN. Noteworthy is the carbanion stabilizing ability of the 2,4,6-trinitrophenyl group in aprotic solvent. Nitrile-forming elimination reactions of (E)-benzaldoxime derivatives have been extensively investigated under various conditions. The reactions proceeded by the E2 mechanism in MeCN despite the fact that the reactants have syn stereochemistry, poor leaving, and sp 2 hybridized β-carbon atom, all of which favor E1cb- or E1cb-like transition state. Moreover, the transition state structures were relatively insensitive to the variation of the reactant structures. The results have been attributed to the poor anion solvating ability of MeCN, which favors E2 transition state with maximum charge dispersal. For eliminations from strongly activated (E)-2,4-(NO 2 ) 2 C 6 H 3 CH=NOC(O)C 6 H 4 X, a change in the reaction mechanism from E2 to (E1cb) irr was observed as the base-solvent was changed from R 2 NH in MeCN to R 2 NH/R 2 NH 2 + in 70 mol % MeCN(aq). A combination of a strong electron-withdrawing β-aryl group and anion-solvating protic solvent was required for the mechanistic change

Microneedle, bio-microneedle and bio-inspired microneedle: A review.

Science.gov (United States)

Ma, Guojun; Wu, Chengwei

2017-04-10

Microneedles (MNs) are micro-scale needles used for drug delivery and other targets. Micro-scale size endows them with many advantages over hypodermic needles, including painlessness, minimal invasiveness and convenient operation, but it may also lead to risk of mechanical failures, which should be prevented in the clinical applications of MNs. The objective of this review is mainly to introduce studies on the mechanics problems with respect to MNs. Firstly, the basic knowledge of MNs is introduced in brief, so that readers can understand the basic characteristics of MNs. Secondly, researches on inserting behavior and mechanical performances of MNs are discussed. Thirdly, literatures on the drug delivery and the pain resulted from the insertion of MNs are overviewed. Finally, some bio-microneedles and bio-inspired MNs are introduced. Copyright © 2017 Elsevier B.V. All rights reserved.

Examining porous bio-active glass as a potential osteo-odonto-keratoprosthetic skirt material.

Science.gov (United States)

Huhtinen, Reeta; Sandeman, Susan; Rose, Susanna; Fok, Elsie; Howell, Carol; Fröberg, Linda; Moritz, Niko; Hupa, Leena; Lloyd, Andrew

2013-05-01

Bio-active glass has been developed for use as a bone substitute with strong osteo-inductive capacity and the ability to form strong bonds with soft and hard tissue. The ability of this material to enhance tissue in-growth suggests its potential use as a substitute for the dental laminate of an osteo-odonto-keratoprosthesis. A preliminary in vitro investigation of porous bio-active glass as an OOKP skirt material was carried out. Porous glass structures were manufactured from bio-active glasses 1-98 and 28-04 containing varying oxide formulation (1-98, 28-04) and particle size range (250-315 μm for 1-98 and 28-04a, 315-500 μm for 28-04b). Dissolution of the porous glass structure and its effect on pH was measured. Structural 2D and 3D analysis of porous structures were performed. Cell culture experiments were carried out to study keratocyte adhesion and the inflammatory response induced by the porous glass materials. The dissolution results suggested that the porous structure made out of 1-98 dissolves faster than the structures made from glass 28-04. pH experiments showed that the dissolution of the porous glass increased the pH of the surrounding solution. The cell culture results showed that keratocytes adhered onto the surface of each of the porous glass structures, but cell adhesion and spreading was greatest for the 98a bio-glass. Cytokine production by all porous glass samples was similar to that of the negative control indicating that the glasses do not induce a cytokine driven inflammatory response. Cell culture results support the potential use of synthetic porous bio-glass as an OOKP skirt material in terms of limited inflammatory potential and capacity to induce and support tissue ingrowth.

A Practical Quantum Mechanics Molecular Mechanics Method for the Dynamical Study of Reactions in Biomolecules.

Science.gov (United States)

Mendieta-Moreno, Jesús I; Marcos-Alcalde, Iñigo; Trabada, Daniel G; Gómez-Puertas, Paulino; Ortega, José; Mendieta, Jesús

2015-01-01

Quantum mechanics/molecular mechanics (QM/MM) methods are excellent tools for the modeling of biomolecular reactions. Recently, we have implemented a new QM/MM method (Fireball/Amber), which combines an efficient density functional theory method (Fireball) and a well-recognized molecular dynamics package (Amber), offering an excellent balance between accuracy and sampling capabilities. Here, we present a detailed explanation of the Fireball method and Fireball/Amber implementation. We also discuss how this tool can be used to analyze reactions in biomolecules using steered molecular dynamics simulations. The potential of this approach is shown by the analysis of a reaction catalyzed by the enzyme triose-phosphate isomerase (TIM). The conformational space and energetic landscape for this reaction are analyzed without a priori assumptions about the protonation states of the different residues during the reaction. The results offer a detailed description of the reaction and reveal some new features of the catalytic mechanism. In particular, we find a new reaction mechanism that is characterized by the intramolecular proton transfer from O1 to O2 and the simultaneous proton transfer from Glu 165 to C2. Copyright © 2015 Elsevier Inc. All rights reserved.

Characterization and Catalytic Upgrading of Crude Bio-oil Produced by Hydrothermal Liquefaction of Swine Manure and Pyrolysis of Biomass

Science.gov (United States)

Cheng, Dan

The distillation curve of crude bio-oil from glycerol-assisted hydrothermal liquefaction of swine manure was measured using an advanced distillation apparatus. The crude bio-oil had much higher distillation temperatures than diesel and gasoline and was more distillable than the bio-oil produced by the traditional liquefaction of swine manure and the pyrolysis of corn stover. Each 10% volumetric fraction was analyzed from aspects of its chemical compositions, chemical and physical properties. The appearance of hydrocarbons in the distillates collected at the temperature of 410.9°C and above indicated that the thermal cracking at a temperature from 410°C to 500°C may be a proper approach to upgrade the crude bio-oil produced from the glycerol-assisted liquefaction of swine manure. The effects of thermal cracking conditions including reaction temperature (350-425°C), retention time (15-60 min) and catalyst loadings (0-10 wt%) on the yield and quality of the upgraded oil were analyzed. Under the optimum thermal cracking conditions at 400°C, a catalyst loading of 5% by mass and the reaction time of 30 min, the yield of bio-oil was 46.14% of the mass of the crude bio-oil and 62.5% of the energy stored in the crude bio-oil was recovered in the upgraded bio-oil. The upgraded bio-oil with a heating value of 41.4 MJ/kg and viscosity of 3.6 cP was comparable to commercial diesel. In upgrading crude bio-oil from fast pyrolysis, converting organic acids into neutral esters is significant and can be achieved by sulfonated activated carbon/bio-char developed from fermentation residues. Acitivated carbon and bio-char were sulfonated by concentrated sulfuric acid at 150°C for 18 h. Sulfonation helped activated carbon/bio-char develop acid functional groups. Sulfonated activated carbon with BET surface area of 349.8 m2/g, was effective in converting acetic acid. Acetic acid can be effectively esterified by sulfonated activated carbon (5 wt%) at 78°C for 60 min with the

Catecholase activity of dicopper(II)-bispidine complexes: stabilities and structures of intermediates, kinetics and reaction mechanism.

Science.gov (United States)

Born, Karin; Comba, Peter; Daubinet, André; Fuchs, Alexander; Wadepohl, Hubert

2007-01-01

A mechanism for the oxidation of 3,5-di-tert-butylcatechol (dtbc) with dioxygen to the corresponding quinone (dtbq), catalyzed by bispidine-dicopper complexes (bispidines are various mono- and dinucleating derivatives of 3,7-diazabicyclo[3.3.1]nonane with bis-tertiary-amine-bispyridyl or bis-tertiary-amine-trispyridyl donor sets), is proposed on the basis of (1) the stoichiometry of the reaction as well as the stabilities and structures [X-ray, density functional theory (B3LYP, TZV)] of the bispidine-dicopper(II)-3,4,5,6-tetrachlorcatechol intermediates, (2) formation kinetics and structures (molecular mechanics, MOMEC) of the end-on peroxo-dicopper(II) complexes and (3) kinetics of the stoichiometric (anaerobic) and catalytic (aerobic) copper-complex-assisted oxidation of dtbc. This involves (1) the oxidation of the dicopper(I) complexes with dioxygen to the corresponding end-on peroxo-dicopper(II) complexes, (2) coordination of dtbc as a bridging ligand upon liberation of H(2)O(2) and (3) intramolecular electron transfer to produce dtbq, which is liberated, and the dicopper(I) catalyst. Although the bispidine complexes have reactivities comparable to those of recently published catalysts with macrocyclic ligands, which seem to reproduce the enzyme-catalyzed process in various reaction sequences, a strikingly different oxidation mechanism is derived from the bispidine-dicopper-catalyzed reaction.

Interrogating the catalytic mechanism of nanoparticle mediated Stille coupling reactions employing bio-inspired Pd nanocatalysts

Science.gov (United States)

Pacardo, Dennis B.; Slocik, Joseph M.; Kirk, Kyle C.; Naik, Rajesh R.; Knecht, Marc R.

2011-05-01

To address issues concerning the global environmental and energy state, new catalytic technologies must be developed that translate ambient and efficient conditions to heavily used reactions. To achieve this, the structure/function relationship between model catalysts and individual reactions must be critically discerned to identify structural motifs responsible for the reactivity. This is especially true for nanoparticle-based systems where this level of information remains limited. Here we present evidence indicating that peptide-capped Pd nanoparticles drive Stille C-C coupling reactions via Pd atom leaching. Through a series of reaction studies, the materials are shown to be optimized for reactivity under ambient conditions where increases in temperature or catalyst concentration deactivate reactivity due to the leaching process. A quartz crystal microbalance analysis demonstrates that Pd leaching occurs during the initial oxidative addition step at the nanoparticle surface by aryl halides. Together, this suggests that peptide-based materials may be optimally suited for use as model systems to isolate structural motifs responsible for the generation of catalytically reactive materials under ambient synthetic conditions.

Interrogating the catalytic mechanism of nanoparticle mediated Stille coupling reactions employing bio-inspired Pd nanocatalysts.

Science.gov (United States)

Pacardo, Dennis B; Slocik, Joseph M; Kirk, Kyle C; Naik, Rajesh R; Knecht, Marc R

2011-05-01

To address issues concerning the global environmental and energy state, new catalytic technologies must be developed that translate ambient and efficient conditions to heavily used reactions. To achieve this, the structure/function relationship between model catalysts and individual reactions must be critically discerned to identify structural motifs responsible for the reactivity. This is especially true for nanoparticle-based systems where this level of information remains limited. Here we present evidence indicating that peptide-capped Pd nanoparticles drive Stille C-C coupling reactions via Pd atom leaching. Through a series of reaction studies, the materials are shown to be optimized for reactivity under ambient conditions where increases in temperature or catalyst concentration deactivate reactivity due to the leaching process. A quartz crystal microbalance analysis demonstrates that Pd leaching occurs during the initial oxidative addition step at the nanoparticle surface by aryl halides. Together, this suggests that peptide-based materials may be optimally suited for use as model systems to isolate structural motifs responsible for the generation of catalytically reactive materials under ambient synthetic conditions. © The Royal Society of Chemistry 2011

Bio-active nanoemulsions enriched with gold nanoparticle, marigold extracts and lipoic acid: In vitro investigations.

Science.gov (United States)

Guler, Emine; Barlas, F Baris; Yavuz, Murat; Demir, Bilal; Gumus, Z Pinar; Baspinar, Yucel; Coskunol, Hakan; Timur, Suna

2014-09-01

A novel and efficient approach for the preparation of enriched herbal formulations was described and their potential applications including wound healing and antioxidant activity (cell based and cell free) were investigated via in vitro cell culture studies. Nigella sativa oil was enriched with Calendula officinalis extract and lipoic acid capped gold nanoparticles (AuNP-LA) using nanoemulsion systems. The combination of these bio-active compounds was used to design oil in water (O/W) and water in oil (W/O) emulsions. The resulted emulsions were characterized by particle size measurements. The phenolic content of each nanoemulsion was examined by using both colorimetric assay and chromatographic analyses. Two different methods containing cell free chemical assay (1-diphenyl-2-picrylhydrazyl method) and cell based antioxidant activity test were used to evaluate the antioxidant capacities. In order to investigate the bio-activities of the herbal formulations, in vitro cell culture experiments, including cytotoxicity, scratch assay, antioxidant activity and cell proliferation were carried out using Vero cell line as a model cell line. Furthermore, to monitor localization of the nanoemulsions after application of the cell culture, the cell images were monitored via fluorescence microscope after FITC labeling. All data confirmed that the enriched N. sativa formulations exhibited better antioxidant and wound healing activity than N. sativa emulsion without any enrichment. In conclusion, the incorporation of AuNP-LA and C. officinalis extract into the N. sativa emulsions significantly increased the bio-activities. The present work may support further studies about using the other bio-active agents for the enrichment of herbal preparations to strengthen their activities. Copyright © 2014 Elsevier B.V. All rights reserved.

Co-Processing of Jatropha-Derived Bio-Oil with Petroleum Distillates over Mesoporous CoMo and NiMo Sulfide Catalysts

Directory of Open Access Journals (Sweden)

Shih-Yuan Chen

2018-02-01

Full Text Available The co-processing of an unconventional type of Jatropha bio-oil with petroleum distillates over mesoporous alumina-supported CoMo and NiMo sulfide catalysts (denoted CoMo/γ-Al2O3 and NiMo/γ-Al2O3 was studied. Either a stainless-steel high-pressure batch-type reactor or an up-flow fixed-bed reaction system was used under severe reaction conditions (330–350 °C and 5–7 MPa, similar to the conditions of the conventional diesel hydrodesulfurization (HDS process. To understand the catalytic performance of the mesoporous sulfide catalysts for co-processing, we prepared two series of oil feedstocks. First, model diesel oils, consisting of hydrocarbons and model molecules with various heteroatoms (sulfur, oxygen, and nitrogen were used for the study of the reaction mechanisms. Secondly, low-grade oil feedstocks, which were prepared by dissolving of an unconventional type of Jatropha bio-oil (ca. 10 wt % in the petroleum distillates, were used to study the practical application of the catalysts. Surface characterization by gas sorption, spectroscopy, and electron microscopy indicated that the CoMo/γ-Al2O3 sulfide catalyst, which has a larger number of acidic sites and coordinatively unsaturated sites (CUS on the mesoporous alumina framework, was associated with small Co-incorporated MoS2-like slabs with high stacking numbers and many active sites at the edges and corners. In contrast, the NiMo/γ-Al2O3 sulfide catalyst, which had a lower number of acidic sites and CUS on mesoporous alumina framework, was associated with large Ni-incorporated MoS2-like slabs with smaller stacking numbers, yielding more active sites at the brims and corresponding to high hydrogenation (HYD activity. Concerning the catalytic performance, the mesoporous CoMo/γ-Al2O3 sulfide catalyst with large CUS number was highly active for the conventional diesel HDS process; unfortunately, it was deactivated when oxygen- and nitrogen-containing model molecules or Jatropha bio

A full understanding of oxygen reduction reaction mechanism on Au(1 1 1) surface

Science.gov (United States)

Yang, Yang; Dai, Changqing; Fisher, Adrian; Shen, Yanchun; Cheng, Daojian

2017-09-01

Oxygen reduction and hydrogen peroxide reduction are technologically important reactions in energy-conversion devices. In this work, a full understanding of oxygen reduction reaction (ORR) mechanism on Au(1 1 1) surface is investigated by density functional theory (DFT) calculations, including the reaction mechanisms of O2 dissociation, OOH dissociation, and H2O2 dissociation. Among these ORR mechanisms on Au(1 1 1), the activation energy of \\text{O}2* hydrogenation reaction is much lower than that of \\text{O}2* dissociation, indicating that \\text{O}2* hydrogenation reaction is more appropriate at the first step than \\text{O}2* dissociation. In the following, H2O2 can be formed with the lower activation energy compared with the OOH dissociation reaction, and finally H2O2 could be generated as a detectable product due to the high activation energy of H2O2 dissociation reaction. Furthermore, the potential dependent free energy study suggests that the H2O2 formation is thermodynamically favorable up to 0.4 V on Au(1 1 1), reducing the overpotential for 2e - ORR process. And the elementary step of first H2O formation becomes non-spontaneous at 0.4 V, indicating the difficulty of 4e - reduction pathway. Our DFT calculations show that H2O2 can be generated on Au(1 1 1) and the first electron transfer is the rate determining step. Our results show that gold surface could be used as a good catalyst for small-scale manufacture and on-site production of H2O2.

Measuring the activity of BioBrick promoters using an in vivo reference standard

Directory of Open Access Journals (Sweden)

Kelly Jason R

2009-03-01

Full Text Available Abstract Background The engineering of many-component, synthetic biological systems is being made easier by the development of collections of reusable, standard biological parts. However, the complexity of biology makes it difficult to predict the extent to which such efforts will succeed. As a first practical example, the Registry of Standard Biological Parts started at MIT now maintains and distributes thousands of BioBrick™ standard biological parts. However, BioBrick parts are only standardized in terms of how individual parts are physically assembled into multi-component systems, and most parts remain uncharacterized. Standardized tools, techniques, and units of measurement are needed to facilitate the characterization and reuse of parts by independent researchers across many laboratories. Results We found that the absolute activity of BioBrick promoters varies across experimental conditions and measurement instruments. We choose one promoter (BBa_J23101 to serve as an in vivo reference standard for promoter activity. We demonstrated that, by measuring the activity of promoters relative to BBa_J23101, we could reduce variation in reported promoter activity due to differences in test conditions and measurement instruments by ~50%. We defined a Relative Promoter Unit (RPU in order to report promoter characterization data in compatible units and developed a measurement kit so that researchers might more easily adopt RPU as a standard unit for reporting promoter activity. We distributed a set of test promoters to multiple labs and found good agreement in the reported relative activities of promoters so measured. We also characterized the relative activities of a reference collection of BioBrick promoters in order to further support adoption of RPU-based measurement standards. Conclusion Relative activity measurements based on an in vivoreference standard enables improved measurement of promoter activity given variation in measurement

The basis for a Platform Bio-Energy. Combining forces for the Dutch bio-energy business

International Nuclear Information System (INIS)

Van Halen, C.J.G.

1998-02-01

It appears that there is a need for a community of interests in the field of bio-energy to solve numerous problems and to answer many questions with respect to the development of businesses that are active in the field of bio-energy. The title study was carried out in the third and fourth quarter of 1997 by means of surveys and depth interviews among representatives of bio-energy businesses, interest groups and research institutes. The majority of the respondents supports the foundation of the Platform Bio-Energy and suggests many different activities

Review of heavy ion reaction mechanisms

International Nuclear Information System (INIS)

Ngo, C.

1986-04-01

We review some of the many aspects of heavy-ion reaction mechanisms observed at bombarding energies smaller than approximately 50 MeV/u that is to say in what is called the low bombarding energy domain and the intermediate bombarding energy domain. We emphasize the results concerning the use of very heavy projectiles which has led to the observation of new mechanisms

Mechanism of the Suzuki–Miyaura Cross-Coupling Reaction Mediated by [Pd(NHC)(allyl)Cl] Precatalysts

KAUST Repository

Meconi, Giulia Magi

2017-05-24

Density functional theory calculations have been used to investigate the activation mechanism for the precatalyst series [Pd]-X-1–4 derived from [Pd(IPr)(R-allyl)X] species by substitutions at the terminal position of the allyl moiety ([Pd] = Pd(IPr); R = H (1), Me (2), gem-Me2 (3), Ph (4), X = Cl, Br). Next, we have investigated the Suzuki–Miyaura cross-coupling reaction for the active catalyst species IPr-Pd(0) using 4-chlorotoluene and phenylboronic acid as substrates and isopropyl alcohol as a solvent. Our theoretical findings predict an upper barrier trend, corresponding to the activation mechanism for the [Pd]-Cl-1–4 series, in good agreement with the experiments. They indeed provide a quantitative explanation of the low yield (12%) displayed by [Pd]-Cl-1 species (ΔG⧧ ≈ 30.0 kcal/mol) and of the high yields (≈90%) observed in the case of [Pd]-Cl-2–4 complexes (ΔG⧧ ≈ 20.0 kcal/mol). Additionally, the studied Suzuki–Miyaura reaction involving the IPr-Pd(0) species is calculated to be thermodynamically favorable and kinetically facile. Similar investigations for the [Pd]-Br-1–4 series, derived from [Pd(IPr)(R-allyl)Br], indicate that the oxidative addition step for IPr-Pd(0)-mediated catalysis with 4-bromotoluene is kinetically more favored than that with 4-chlorotoluene. Finally, we have explored the potential of Ni-based complexes [Ni((IPr)(R-allyl)X] (X = Cl, Br) as Suzuki–Miyaura reaction catalysts. Apart from a less endergonic reaction energy profile for both precatalyst activation and catalytic cycle, a steep increase in the predicted upper energy barriers (by 2.0–15.0 kcal/mol) is calculated in the activation mechanism for the [Ni]-X-1–4 series compared to the [Pd]-X-1–4 series. Overall, these results suggest that Ni-based precatalysts are expected to be less active than the Pd-based precatalysts for the studied Suzuki–Miyaura reaction.

Role of hydrogen bonds in the reaction mechanism of chalcone isomerase.

Science.gov (United States)

Jez, Joseph M; Bowman, Marianne E; Noel, Joseph P

2002-04-23

In flavonoid, isoflavonoid, and anthocyanin biosynthesis, chalcone isomerase (CHI) catalyzes the intramolecular cyclization of chalcones into (S)-flavanones with a second-order rate constant that approaches the diffusion-controlled limit. The three-dimensional structures of alfalfa CHI complexed with different flavanones indicate that two sets of hydrogen bonds may possess critical roles in catalysis. The first set of interactions includes two conserved amino acids (Thr48 and Tyr106) that mediate a hydrogen bond network with two active site water molecules. The second set of hydrogen bonds occurs between the flavanone 7-hydroxyl group and two active site residues (Asn113 and Thr190). Comparison of the steady-state kinetic parameters of wild-type and mutant CHIs demonstrates that efficient cyclization of various chalcones into their respective flavanones requires both sets of contacts. For example, the T48A, T48S, Y106F, N113A, and T190A mutants exhibit 1550-, 3-, 30-, 7-, and 6-fold reductions in k(cat) and 2-3-fold changes in K(m) with 4,2',4'-trihydroxychalcone as a substrate. Kinetic comparisons of the pH-dependence of the reactions catalyzed by wild-type and mutant enzymes indicate that the active site hydrogen bonds contributed by these four residues do not significantly alter the pK(a) of the intramolecular cyclization reaction. Determinations of solvent kinetic isotope and solvent viscosity effects for wild-type and mutant enzymes reveal a change from a diffusion-controlled reaction to one limited by chemistry in the T48A and Y106F mutants. The X-ray crystal structures of the T48A and Y106F mutants support the assertion that the observed kinetic effects result from the loss of key hydrogen bonds at the CHI active site. Our results are consistent with a reaction mechanism for CHI in which Thr48 polarizes the ketone of the substrate and Tyr106 stabilizes a key catalytic water molecule. Hydrogen bonds contributed by Asn113 and Thr190 provide additional

Catalytic hydrothermal liquefaction (HTL of biomass for bio-crude production using Ni/HZSM-5 catalysts

Directory of Open Access Journals (Sweden)

Shouyun Cheng

2017-04-01

Full Text Available Hydrothermal liquefaction (HTL is an effective method that can convert biomass into bio-crude, but direct use of bio-crude derived from biomass HTL remains a challenge due to the lower quality. In this study, bifunctional Ni/HZSM-5 catalysts and zinc hydrolysis were combined to produce upgraded bio-crude in an in-situ HTL process. The K2CO3 and HZSM-5 catalysts with different Ni loading ratios were tested. The effects of different catalysts on the yield and quality of bio-crude and gas were investigated. The results indicated that the catalysts improved bio-crude and gas yields, compared to pine sawdust liquefaction without catalyst. The catalysts reduced the contents of undesirable oxygenated compounds such as acids, ketones, phenols, alcohols and esters in bio-crude products while increased desirable hydrocarbons content. K2CO3 produced highest bio-crude yield and lowest solid residue yield among all catalysts. Compared to parent HZSM-5 catalyst, bifunctional Ni/HZSM-5 catalysts exhibited higher catalyst activity to improve quality of upgraded bio-crude due to its integration of cracking and hydrodeoxygenation reactions. 6%Ni/HZSM-5 catalyst produced the bio-crude with the highest hydrocarbons content at 11.02%. This catalyst can be a candidate for bio-crude production from biomass HTL.

Bimolecular reactions of carbenes: Proton transfer mechanism

Science.gov (United States)

Abu-Saleh, Abd Al-Aziz A.; Almatarneh, Mansour H.; Poirier, Raymond A.

2018-04-01

Here we report the bimolecular reaction of trifluoromethylhydroxycarbene conformers and the water-mediated mechanism of the 1,2-proton shift for the unimolecular trans-conformer by using quantum chemical calculations. The CCSD(T)/cc-pVTZ//MP2/cc-pVDZ potential-energy profile of the bimolecular reaction of cis- and trans-trifluoromethylhydroxycarbene, shows the lowest gas-phase barrier height of 13 kJ mol-1 compared to the recently reported value of 128 kJ mol-1 for the unimolecular reaction. We expect bimolecular reactions of carbene's stereoisomers will open a valuable field for new and useful synthetic strategies.

Heterogeneous catalysis in complex, condensed reaction media

Energy Technology Data Exchange (ETDEWEB)

Cantu, David C.; Wang, Yang-Gang; Yoon, Yeohoon; Glezakou, Vassiliki-Alexandra; Rousseau, Roger; Weber, Robert S.

2017-07-01

Many reactions required for the upgrading of biomass into fuels and chemicals—hydrogenation, hydrodeoxygenation, hydrocracking—are ostensibly similar to those practiced in the upgrading of petroleum into fuels. But, repurposing hydroprocessing catalysts from refinery operations to treat bio-oil has proved to be unsatisfactory. New catalysts are needed because the composition of the biogenic reactants differs from that of petroleum-derived feedstocks (e.g. the low concentration of sulfur in cellulose-derived biomass precludes use of metal sulfide catalysts unless sulfur is added to the reaction stream). New processes are needed because bio-oils oligomerize rapidly, forming intractable coke and “gunk”, at temperatures so low that the desired upgrading reactions are impractically slow, and so low that the bio-oil upgrading must be handled as a condensed fluid. Ideally, the new catalysts and processes would exploit the properties of the multiple phases present in condensed bio-oil, notably the polarizability and structure of the fluid near a catalyst’s surface in the cybotactic region. The results of preliminary modeling of the cybotactic region of different catalyst surfaces in the hydrogenation of phenol suggest that Pd catalysts supported on hydrophilic surfaces are more active than catalysts based on lipophilic supports because the former serve to enhance the concentration of the phenol in the vicinity of the Pd. The effect stems from thermodynamics, not the rate of mass transport. This work was supported by the US Department of Energy, Office of Energy Efficiency and Renewable Energy, Bioenergy Technologies Office. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle.

Experimental Monitoring of Cr(VI) Bio-reduction Using Electrochemical Geophysics

International Nuclear Information System (INIS)

Birsen Canan; Gary R. Olhoeft; William A. Smith

2007-01-01

Many Department of Energy (DOE) sites are contaminated with highly carcinogenic hexavalent chromium (Cr(VI)). In this research, we explore the feasibility of applying complex resistivity to the detection and monitoring of microbially-induced reduction of hexavalent chromium (Cr(VI)) to a less toxic form (Cr(III)). We hope to measure the change in ionic concentration that occurs during this reduction reaction. This form of reduction promises to be an attractive alternative to more expensive remedial treatment methods. The specific goal of this research is to define the minimum and maximum concentration of the chemical and biological compounds in contaminated samples for which the Cr(VI) - Cr(III) reduction processes could be detected via complex resistivity. There are three sets of experiments, each comprised of three sample columns. The first experiment compares three concentrations of Cr(VI) at the same bacterial cell concentration. The second experiment establishes background samples with, and without, Cr(VI) and bacterial cells. The third experiment examines the influence of three different bacterial cell counts on the same concentration of Cr(VI). A polarization relaxation mechanism was observed between 10 and 50 Hz. The polarization mechanism, unfortunately, was not unique to bio-chemically active samples. Spectral analysis of complex resistivity data, however, showed that the frequency where the phase minimum occurred was not constant for bio-chemically active samples throughout the experiment. A significant shifts in phase minima occurred between 10 to 20 Hz from the initiation to completion of Cr(VI) reduction. This phenomena was quantified using the Cole-Cole model and the Marquardt-Levenberg nonlinear least square minimization method. The data suggests that the relaxation time and the time constant of this relaxation are the Cole-Cole parameters most sensitive to changes in biologically-induced reduction of Cr(VI)

Bio-based liquid crystalline polyesters

Science.gov (United States)

Wilsens, Carolus; Rastogi, Sanjay; Dutch Collaboration

2013-03-01

The reported thin-film polymerization has been used as a screening method in order to find bio-based liquid crystalline polyesters with convenient melting temperatures for melt-processing purposes. An in depth study of the structural, morphological and chemical changes occurring during the ongoing polycondensation reactions of these polymers have been performed. Structural and conformational changes during polymerization for different compositions have been followed by time resolved X-ray and Infrared spectroscopy. In this study, bio-based monomers such as vanillic acid and 2,5-furandicarboxylic acid are successfully incorporated in liquid crystalline polyesters and it is shown that bio-based liquid crystalline polymers with high aromatic content and convenient processing temperatures can be synthesized. Special thanks to the Dutch Polymer Institute for financial support

Mechanisms of inorganic and organometallic reactions

CERN Document Server

The purpose of this series is to provide a continuing critical review of the literature concerned with mechanistic aspects of inorganic and organo­ metallic reactions in solution, with coverage being complete in each volume. The papers discussed are selected on the basis of relevance to the elucidation of reaction mechanisms and many include results of a nonkinetic nature when useful mechanistic information can be deduced. The period of literature covered by this volume is July 1982 through December 1983, and in some instances papers not available for inclusion in the previous volume are also included. Numerical results are usually reported in the units used by the original authors, except where data from different papers are com­ pared and conversion to common units is necessary. As in previous volumes material included covers the major areas of redox processes, reactions of the nonmetallic elements, reaction of inert and labile metal complexes and the reactions of organometallic compounds. While m...

Positive aspects issued from bio corrosion studies: from hydrogen production to biofuel cells

International Nuclear Information System (INIS)

Silva Munoz, L. de

2007-12-01

Microbially influenced corrosion or bio corrosion is a problem that generates heavy global economic losses (several billion euros per year). In spite of the progress made on the understanding of the underlying mechanisms, the complexity of the phenomenon has prevented finding definitive solutions to the problem and continues to inspire many research works. The participation in bio corrosion of catalytic mechanisms induced by weak acids was studied in this work. Another objective of the thesis has been to take advantage from catalytic phenomena found in bio corrosion research to apply them in other areas: energy production with biofuel cells or electrochemical hydrogen production in mild conditions. This work has shown that the presence of weak acids and amino acids inside bio-films could play a major role in steel bio corrosion accelerating the phenomenon through the catalysis of the water reduction reaction. The reversibility of this mechanism, discerned and proved here, could explain the corrosion increase when hydrogen is removed (bacterial consumption, agitation...). In addition, phosphates allow the production of hydrogen by electrolysis in mild pH conditions (pH 4.0 - 8.0) with an equal or better performance than those found in alkaline electrolysis. Finally, industrial materials like stainless steel and titanium could be used in the fabrication of enzymatic electrodes for biosensors or microsystems. The use of the glucose oxidase/glucose system in an aqueous fuel cell with a stainless steel cathode, allows the improvement of the cell performance thanks to the production of hydrogen peroxide that is easily reduced. Moreover, the use of materials with micro-structured surfaces like sandblasted steels deserve to be studied in detail to exploit the remarkable reactivity they present compared to smooth electrodes. (author)

Positive aspects issued from bio-corrosion studies: from hydrogen production to biofuel cells

International Nuclear Information System (INIS)

De Silva Munoz, Leonardo

2007-01-01

Microbially influenced corrosion or bio-corrosion is a problem that generates heavy global economic losses (several billion euros per year). In spite of the progress made on the understanding of the underlying mechanisms, the complexity of the phenomenon has prevented finding definitive solutions to the problem and continues to inspire many research works. The participation in bio-corrosion of catalytic mechanisms induced by weak acids was studied in this work. Another objective of the thesis has been to take advantage from catalytic phenomena found in bio corrosion research to apply them in other areas: energy production with biofuel cells or electrochemical hydrogen production in mild conditions. This work has shown that the presence of weak acids and amino acids inside bio films could play a major role in steel bio-corrosion accelerating the phenomenon through the catalysis of the water reduction reaction. The reversibility of this mechanism, discerned and proved here, could explain the corrosion increase when hydrogen is removed (bacterial consumption, agitation...). In addition, phosphates allow the production of hydrogen by electrolysis in mild ph conditions (pH 4.0 - 8.0) with an equal or better performance than those found in alkaline electrolysis. Finally, industrial materials like stainless steel and titanium could be used in the fabrication of enzymatic electrodes for biosensors or microsystems. The use of the glucose oxidase / glucose system in an aqueous fuel cell with a stainless steel cathode, allows the improvement of the cell performance thanks to the production of hydrogen peroxide that is easily reduced. Moreover, the use of materials with micro-structured surfaces like sandblasted steels deserve to be studied in detail to exploit the remarkable reactivity they present compared to smooth electrodes. (author) [fr

Agrice 2005. bio-resources to industry. Activity report

International Nuclear Information System (INIS)

2005-01-01

going beyond classical chemical practices, will involve bio-technologies dedicated to sustainable development. France has an important role to play in this domain. To do so, however, we must durably mobilise our research and industrial capacities. AGRICE has effectively pursued this mission for years. It is essential for our agriculture and our industry that France continue on this path in the future, by endowing AGRICE with means and resources proportionate to the stakes, so that France can perform as a major research platform for industrial bio-technology. The AGRICE 2005 activity report presents: - the AGRICE's Profile, statement, Scope of activity, Structure and operations and Project management, the Treatment of results; - AGRICE's sectors of activity: in energy (Liquid biofuels for vehicles, Non-vehicle biofuels), and in chemicals (Biomolecules, Biomaterials); - the year 2005: Financial statement and applications, Noteworthy achievements, Events, Working groups, Europe-wide activities and joint-undertakings. In appendix: the Financial statement 2005, the Projects initiated in 2005, the Projects completed in 2005, the Financial statement 1994-2005, the Breakdown of aid by sector (1994-2005), the Partners and members of the Group Council and The AGRICE team

Bio-mechanical assessment toward throwing and lifting process of i-LOCA (Innovative Lobster Catcher)

Science.gov (United States)

Sudiarno, A.; Dewi, D. S.; Putri, M. A.

2018-04-01

Indonesia is the country rich in marine resource, one of which is lobster. East java, one of Indonesian province, especially in Region of Gresik and Lamogan, has very huge potential of lobster. Current condition shown that lobster catch by the fisherman mostly depend on lucky factor, which the lobster unintentionally trapped in fisherman’s fish net. By using this mechanism, the number of lobster catch cannot be optimum. Previous researches have produced two versions of i-LOCA, Innovative Lobster Catcher, a special tool for catching the lobster. Although produce more lobster catch, second version of i-LOCA still needs to be scrutinized, one of that is bio-mechanical assessment. The second version of i-LOCA still has no tool to ease throwing and lifting it into the sea. This condition cause Musculoskeletal Disorder (MSD) toward the fisherman. This research perform bio-mechanical assessment toward throwing and lifting process in order to suggest improvement for i-LOCA as the third version. Based on body moment calculation, we found that throwing and lifting process of third version of i-LOCA, each was 3 times and 2 times better than second version of i-LOCA. Meanwhile, Rapid Entire Body Assessment (REBA) score of throwing and lifting process for third version of i-LOCA can be reduced by 5 points compared to second version of i-LOCA.

The dynamics of the Hg + Br2 reaction: elucidation of the reaction mechanism for the Br exchange reaction.

Science.gov (United States)

Jambrina, P G; Menéndez, M; Aoiz, F J

2017-06-28

In spite of its importance in the Hg atmospheric chemistry, the dynamics of the Hg + Br 2 → HgBr + Br reaction is poorly understood. In this article, we have carried out a comprehensive study of the reaction mechanism of this reaction by means of quasiclassical trajectories (QCTs) on an existing ab initio potential energy surface (PES). The reaction has a non trivial dynamics, as a consequence of its large endothermicity, the presence of a deep potential well, and the competition between the Br exchange and the collision induced dissociation processes. Our calculations demonstrate that insertion is only relevant at energies just above the reaction threshold and that, at energies above 2.3 eV, HgBr formation typically takes place via a sort of frustrated dissociation. In order to compare directly with the results obtained in extensive cross molecular beam experiments for the homologous reaction with I 2 , angular distributions in the laboratory frame for Hg + Br 2 have been simulated under similar experimental conditions. The lack of agreement at the highest energies considered suggests that either the two reactions have substantially different mechanisms or that calculations on a single PES cannot account for the dynamics at those energies.

Eugenol-loaded chitosan nanoparticles: II. Application in bio-based plastics for active packaging.

Science.gov (United States)

Woranuch, Sarekha; Yoksan, Rangrong

2013-07-25

The aim of the present research was to study the possibility of using eugenol-loaded chitosan nanoparticles as antioxidants for active bio-based packaging material. Eugenol-loaded chitosan nanoparticles were incorporated into thermoplastic flour (TPF) - a model bio-based plastic - through an extrusion process at temperatures above 150°C. The influences of eugenol-loaded chitosan nanoparticles on crystallinity, morphology, thermal properties, radical scavenging activity, reducing power, tensile properties and barrier properties of TPF were investigated. Although the incorporation of 3% (w/w) of eugenol-loaded chitosan nanoparticles significantly reduced the extensibility and the oxygen barrier property of TPF, it provided antioxidant activity and improved the water vapor barrier property. In addition, TPF containing eugenol-loaded chitosan nanoparticles exhibited superior radical scavenging activity and stronger reducing power compared with TPF containing naked eugenol. The results suggest the applicability of TPF containing eugenol-loaded chitosan nanoparticles as an antioxidant active packaging material. Copyright © 2012 Elsevier Ltd. All rights reserved.

Pyrolysis of marine biomass to produce bio-oil and its upgrading using a novel multi-metal catalyst prepared from the spent car catalytic converter.

Science.gov (United States)

Sabegh, Mahzad Yaghmaei; Norouzi, Omid; Jafarian, Sajedeh; Khosh, Akram Ghanbari; Tavasoli, Ahmad

2018-02-01

In order to reduce the economic and environmental consequences caused by spent car catalyst, we herein report for the first time a novel promising multi-metal catalyst prepared from spent car catalytic converters to upgrade the pyrolysis bio-oils. The physico-chemical properties of prepared catalyst were characterized by XRD, EDS, FESEM, and FT-IR analyses. The thermal stability of the multi-metal catalyst was studied with TGA. To investigate the activity of the catalyst, Conversion of Cladophora glomerata (C. glomerata) into bio-products was carried out via a fixed bed reactor with and without catalyst at the temperature of 500°C. Although the catalyst didn't catalyze the gasification reaction, bio-oil was upgraded over the catalyst. The main effect of the catalyst on the bio-oil components is deoxygenating of nitrogen compounds and promotion the ketonization reaction, which converts acid to ketone and declines the corrosive nature of bio-oil. Copyright © 2017. Published by Elsevier Ltd.

The Deep-Sea Natural Products, Biogenic Polyphosphate (Bio-PolyP and Biogenic Silica (Bio-Silica, as Biomimetic Scaffolds for Bone Tissue Engineering: Fabrication of a Morphogenetically-Active Polymer

Directory of Open Access Journals (Sweden)

Florian Draenert

2013-03-01

Full Text Available Bone defects in human, caused by fractures/nonunions or trauma, gain increasing impact and have become a medical challenge in the present-day aging population. Frequently, those fractures require surgical intervention which ideally relies on autografts or suboptimally on allografts. Therefore, it is pressing and likewise challenging to develop bone substitution materials to heal bone defects. During the differentiation of osteoblasts from their mesenchymal progenitor/stem cells and of osteoclasts from their hemopoietic precursor cells, a lineage-specific release of growth factors and a trans-lineage homeostatic cross-talk via signaling molecules take place. Hence, the major hurdle is to fabricate a template that is functioning in a way mimicking the morphogenetic, inductive role(s of the native extracellular matrix. In the last few years, two naturally occurring polymers that are produced by deep-sea sponges, the biogenic polyphosphate (bio-polyP and biogenic silica (bio-silica have also been identified as promoting morphogenetic on both osteoblasts and osteoclasts. These polymers elicit cytokines that affect bone mineralization (hydroxyapatite formation. In this manner, bio-silica and bio-polyP cause an increased release of BMP-2, the key mediator activating the anabolic arm of the hydroxyapatite forming cells, and of RANKL. In addition, bio-polyP inhibits the progression of the pre-osteoclasts to functionally active osteoclasts. Based on these findings, new bioinspired strategies for the fabrication of bone biomimetic templates have been developed applying 3D-printing techniques. Finally, a strategy is outlined by which these two morphogenetically active polymers might be used to develop a novel functionally active polymer.

The Deep-Sea Natural Products, Biogenic Polyphosphate (Bio-PolyP) and Biogenic Silica (Bio-Silica), as Biomimetic Scaffolds for Bone Tissue Engineering: Fabrication of a Morphogenetically-Active Polymer

Science.gov (United States)

Wang, Xiaohong; Schröder, Heinz C.; Feng, Qingling; Draenert, Florian; Müller, Werner E. G.

2013-01-01

Bone defects in human, caused by fractures/nonunions or trauma, gain increasing impact and have become a medical challenge in the present-day aging population. Frequently, those fractures require surgical intervention which ideally relies on autografts or suboptimally on allografts. Therefore, it is pressing and likewise challenging to develop bone substitution materials to heal bone defects. During the differentiation of osteoblasts from their mesenchymal progenitor/stem cells and of osteoclasts from their hemopoietic precursor cells, a lineage-specific release of growth factors and a trans-lineage homeostatic cross-talk via signaling molecules take place. Hence, the major hurdle is to fabricate a template that is functioning in a way mimicking the morphogenetic, inductive role(s) of the native extracellular matrix. In the last few years, two naturally occurring polymers that are produced by deep-sea sponges, the biogenic polyphosphate (bio-polyP) and biogenic silica (bio-silica) have also been identified as promoting morphogenetic on both osteoblasts and osteoclasts. These polymers elicit cytokines that affect bone mineralization (hydroxyapatite formation). In this manner, bio-silica and bio-polyP cause an increased release of BMP-2, the key mediator activating the anabolic arm of the hydroxyapatite forming cells, and of RANKL. In addition, bio-polyP inhibits the progression of the pre-osteoclasts to functionally active osteoclasts. Based on these findings, new bioinspired strategies for the fabrication of bone biomimetic templates have been developed applying 3D-printing techniques. Finally, a strategy is outlined by which these two morphogenetically active polymers might be used to develop a novel functionally active polymer. PMID:23528950

High performance bio-integrated devices

Science.gov (United States)

Kim, Dae-Hyeong; Lee, Jongha; Park, Minjoon

2014-06-01

In recent years, personalized electronics for medical applications, particularly, have attracted much attention with the rise of smartphones because the coupling of such devices and smartphones enables the continuous health-monitoring in patients' daily life. Especially, it is expected that the high performance biomedical electronics integrated with the human body can open new opportunities in the ubiquitous healthcare. However, the mechanical and geometrical constraints inherent in all standard forms of high performance rigid wafer-based electronics raise unique integration challenges with biotic entities. Here, we describe materials and design constructs for high performance skin-mountable bio-integrated electronic devices, which incorporate arrays of single crystalline inorganic nanomembranes. The resulting electronic devices include flexible and stretchable electrophysiology electrodes and sensors coupled with active electronic components. These advances in bio-integrated systems create new directions in the personalized health monitoring and/or human-machine interfaces.

Generalization of the Activated Complex Theory of Reaction Rates. II. Classical Mechanical Treatment

Science.gov (United States)

Marcus, R. A.

1964-01-01

In its usual classical form activated complex theory assumes a particular expression for the kinetic energy of the reacting system -- one associated with a rectilinear motion along the reaction coordinate. The derivation of the rate expression given in the present paper is based on the general kinetic energy expression.

Post and core build-ups in crown and bridge abutments: Bio-mechanical advantages and disadvantages.

Science.gov (United States)

Mamoun, John

2017-06-01

Dentists often place post and core buildups on endodontically treated abutments for crown and bridge restorations. This article analyzes the bio-mechanical purposes, advantages and disadvantages of placing a core or a post and core in an endodontically treated tooth and reviews literature on post and core biomechanics. The author assesses the scientific rationale of the claim that the main purpose of a post is to retain a core, or the claim that posts weaken teeth. More likely, the main function of a post is to help prevent the abutment, on which a crown is cemented, from fracturing such that the abutment separates from the tooth root, at a fracture plane that is located approximately and theoretically at the level of the crown (or ferrule) margin. A post essentially improves the ferrule effect that is provided by the partial fixed denture prosthesis. This paper also explores the difference between bio-mechanical failures of crowns caused by lack of retention or excess taper, versus failures due to a sub-optimal ferrule effect in crown and bridge prostheses.

Bio-Based Adhesives and Evaluation for Wood Composites Application

Directory of Open Access Journals (Sweden)

Fatemeh Ferdosian

2017-02-01

Full Text Available There has been a rapid growth in research and innovation of bio-based adhesives in the engineered wood product industry. This article reviews the recent research published over the last few decades on the synthesis of bio-adhesives derived from such renewable resources as lignin, starch, and plant proteins. The chemical structure of these biopolymers is described and discussed to highlight the active functional groups that are used in the synthesis of bio-adhesives. The potentials and drawbacks of each biomass are then discussed in detail; some methods have been suggested to modify their chemical structures and to improve their properties including water resistance and bonding strength for their ultimate application as wood adhesives. Moreover, this article includes discussion of techniques commonly used for evaluating the petroleum-based wood adhesives in terms of mechanical properties and penetration behavior, which are expected to be more widely applied to bio-based wood adhesives to better evaluate their prospect for wood composites application.

Elucidating reaction mechanisms on quantum computers

Science.gov (United States)

Reiher, Markus; Wiebe, Nathan; Svore, Krysta M.; Wecker, Dave; Troyer, Matthias

2017-01-01

With rapid recent advances in quantum technology, we are close to the threshold of quantum devices whose computational powers can exceed those of classical supercomputers. Here, we show that a quantum computer can be used to elucidate reaction mechanisms in complex chemical systems, using the open problem of biological nitrogen fixation in nitrogenase as an example. We discuss how quantum computers can augment classical computer simulations used to probe these reaction mechanisms, to significantly increase their accuracy and enable hitherto intractable simulations. Our resource estimates show that, even when taking into account the substantial overhead of quantum error correction, and the need to compile into discrete gate sets, the necessary computations can be performed in reasonable time on small quantum computers. Our results demonstrate that quantum computers will be able to tackle important problems in chemistry without requiring exorbitant resources. PMID:28674011

Elucidating reaction mechanisms on quantum computers

Science.gov (United States)

Reiher, Markus; Wiebe, Nathan; Svore, Krysta M.; Wecker, Dave; Troyer, Matthias

2017-07-01

With rapid recent advances in quantum technology, we are close to the threshold of quantum devices whose computational powers can exceed those of classical supercomputers. Here, we show that a quantum computer can be used to elucidate reaction mechanisms in complex chemical systems, using the open problem of biological nitrogen fixation in nitrogenase as an example. We discuss how quantum computers can augment classical computer simulations used to probe these reaction mechanisms, to significantly increase their accuracy and enable hitherto intractable simulations. Our resource estimates show that, even when taking into account the substantial overhead of quantum error correction, and the need to compile into discrete gate sets, the necessary computations can be performed in reasonable time on small quantum computers. Our results demonstrate that quantum computers will be able to tackle important problems in chemistry without requiring exorbitant resources.

Elucidating reaction mechanisms on quantum computers.

Science.gov (United States)

Reiher, Markus; Wiebe, Nathan; Svore, Krysta M; Wecker, Dave; Troyer, Matthias

2017-07-18

With rapid recent advances in quantum technology, we are close to the threshold of quantum devices whose computational powers can exceed those of classical supercomputers. Here, we show that a quantum computer can be used to elucidate reaction mechanisms in complex chemical systems, using the open problem of biological nitrogen fixation in nitrogenase as an example. We discuss how quantum computers can augment classical computer simulations used to probe these reaction mechanisms, to significantly increase their accuracy and enable hitherto intractable simulations. Our resource estimates show that, even when taking into account the substantial overhead of quantum error correction, and the need to compile into discrete gate sets, the necessary computations can be performed in reasonable time on small quantum computers. Our results demonstrate that quantum computers will be able to tackle important problems in chemistry without requiring exorbitant resources.

Gas-phase thermolysis reaction of formaldehyde diperoxide. Kinetic study and theoretical mechanisms

International Nuclear Information System (INIS)

Jorge, Nelly Lidia; Romero, Jorge Marcelo; Grand, André; Hernández-Laguna, Alfonso

2012-01-01

Highlights: ► Kinetic and mechanism of the gas-phase thermolysis of tetroxane were determined. ► Gas chromatography and computational potential energy surfaces were performed. ► A mechanism in steps looked like the most probable mechanism. ► A spin–orbit coupling appeared at the singlet and triple diradical open structures. ► A non-adiabatic crossing from the singlet to the triplet state occurred. - Abstract: Gas-phase thermolysis reaction of formaldehyde diperoxide (1,2,4,5-tetroxane) was performed in an injection chamber of a gas chromatograph at a range of 463–503 K. The average Arrhenius activation energy and pre-exponential factor were 29.3 ± 0.8 kcal/mol and 5.2 × 10 13 s −1 , respectively. Critical points and reaction paths of the ground singlet and first triplet potential energy surfaces (PES) were calculated, using DFT method at BHANDHLYP/6-311+G ∗∗ level of the theory. Also, G3 calculations were performed on the reactant and products. Reaction by the ground-singlet and first-triplet states turned out to be endothermic and exothermic, respectively. The mechanism in three steps seemed to be the most probable one. An electronically non-adiabatic process appeared, in which a crossing, at an open diradical structure, from the singlet to the triplet state PES occurred, due to a spin–orbit coupling, yielding an exothermic reaction. Theoretical kinetic constant coming from the non- adiabatic transition from the singlet to the triplet state agrees with the experimental values.

Interactions between bio-tribocorrosion phenomena and cellular response of titanium-based femoral stems

OpenAIRE

Runa, Maria João Carvalho

2016-01-01

PhD thesis in Biomedical Engineering In orthopedics, the loosening/failure of the femoral stem of hip implants is a major concern. In uncemented Ti-based implants, the tribochemical reactions occurring at the implant/bone interface due to micromotion are known to contribute to these failures. However, the bio-tribocorrosion behavior of metallic materials and related mechanisms, induced by relative movements in a biological environment, is a complex process, largely unknown at p...

Non-ionic iodinated contrast media related immediate reactions: A mechanism study of 27 patients.

Science.gov (United States)

Zhai, Liqin; Guo, Xiangjie; Zhang, Haoyue; Jin, Qianqian; Zeng, Qiang; Tang, Xiaoxian; Gao, Cairong

2017-01-01

The underlying mechanism of non-ionic iodinated contrast media-related immediate reactions was evaluated in this study. Patients presenting at least grade II immediate reactions after non-ionic iodinated contrast media injection were enrolled. Basophil activation was evaluated by flow cytometry. The plasma concentration of human terminal complement complex SC5b-9, as well as concentrations of serum chymase, tryptase, human mast cell carboxypeptidase A3, human prostaglandin D2, and total IgE were measured by enzyme-linked immunosorbent assay. The basophil activation percentage was significantly higher in the study group than in the control group (17.94±21.06% vs 3.45±1.49%). The plasma concentration of human terminal complement complex SC5b-9 and concentrations of serum chymase, human mast cell carboxypeptidase A3, prostaglandin D2, tryptase, and total IgE were also significantly increased (236.99±318.21 vs 49.70±30.41ng/mL, 0.41±0.49 vs 0.09±0.06ng/mL, 1.17±0.67 vs 0.30±0.17ng/mL, 203.52±137.27 vs 102.28±48.72pg/mL, 3.81±0.22 vs 2.70±0.16ng/mL, 102.00±51.84 vs 19.97±2.75ng/mL, respectively). Both mast cells and basophils were activated in non-ionic iodinated contrast media to mediate immediate hypersensitivity, and mast cells may be involved. Different mechanisms, including IgE-dependent, complement-dependent, and direct membrane effects, contributed to mast cell and basophil activation. Individual patients may use a single or combined mechanism involving single or combined mast cells and basophils. Immediate reactions following non-ionic iodinated contrast media injection may be a mechanically heterogenous disease. Copyright © 2016. Published by Elsevier B.V.

Biochemical gas sensor (bio-sniffer) for ultrahigh-sensitive gaseous formaldehyde monitoring.

Science.gov (United States)

Kudo, Hiroyuki; Suzuki, Yuki; Gessei, Tomoko; Takahashi, Daishi; Arakawa, Takahiro; Mitsubayashi, Kohji

2010-10-15

An ultrahigh-sensitive fiber-optic biochemical gas sensor (bio-sniffer) for continuous monitoring of indoor formaldehyde was constructed and tested. The bio-sniffer measures gaseous formaldehyde as fluorescence of nicotinamide adenine dinucleotide (NADH), which is the product of formaldehyde dehydrogenase (FALDH) reaction. The bio-sniffer device was constructed by attaching a flow cell with a FALDH immobilized membrane onto a fiber-optic NADH measurement system. The NADH measurement system utilizes an ultraviolet-light emitting diode (UV-LED) with peak emission of 335 nm as an excitation light source. The excitation light was introduced to an optical fiber probe, and fluorescence emission of neighboring NADH, which was produced by applying formaldehyde vapor to the FALDH membrane, was concentrically measured with a photomultiplier tube. Assessment of the bio-sniffer was carried out using a standard gas generator. Response, calibration range and selectivity to other chemical substances were investigated. Circulating phosphate buffer, which contained NAD+, available for continuous monitoring of formaldehyde vapor. The calibration range of the bio-sniffer was 2.5 ppb to 10 ppm, which covers the guideline value of the World Health Organization (80 ppb). High selectivity to other gaseous substances due to specific activity of FALDH was also confirmed. Considering its high sensitivity, a possible application of the bio-sniffer is continuous indoor formaldehyde monitoring to provide healthy residential atmosphere. Copyright © 2010 Elsevier B.V. All rights reserved.

The use of instrumental neutron activation analysis method in bio-sorption determination

International Nuclear Information System (INIS)

Khamidova, Kh.M.; Mutavalieva, Z.S.; Muchamedshina, N.M.; Mirzagatova, A.A.

2005-01-01

Full text: Recently, much attention is paid to the research and development of effective metal remediation methods. In industry, for the removal of metals from the industrial solutions and wastes, the expensive ion-exchange resin method of metal sorption is used today. The microbiological methods are much less expensive, are available and provide its application in natural conditions. The search for molybdenum bio sorbent was performed amongst Actinomyces strains. The 18 of Streptomyces strains were used. The data showed that all investigated strains uptake the molybdenum from the solution in various degrees. The molybdenum determination was performed using neutron activation analysis technique. In a nuclear reactor, the samples were treated with a steady flow of neutrons (5.1·10 13 ) n·cm -2 sec -1 in 20 hours. The samples were stored for 6-7 days before analysis. The Actinomyces biomass uptake capacity was up to 94.5 %. The 8 cultures have the most high uptake capacity that varied from 87.4 to 94.5 %. Streptomyces sp. 39 and Streptomyces sp.32 have the lowest bio-sorption capacity amongst studied strains, which was 46.6% and 40 % respectively, whereas the bio sorption capacity of other cultures varied from 55.8 to 64.1%. The influence of some physical and chemical parameters (culture age, pH, temperature) on molybdenum bio-sorption was studied. Data showed that the change in pH, temperature and cultivation period lead to the increase of bio-sorption capacity

Investigating dissolution of mechanically activated olivine for carbonation purposes

International Nuclear Information System (INIS)

Haug, Tove Anette; Kleiv, Rolf Arne; Munz, Ingrid Anne

2010-01-01

Research highlights: → Dissolution of mechanically activated olivine increased with 3 orders of magnitude. → Crystallinity changes of olivine is important for the observed dissolution rates. → Activation probably decreases with the degree of dissolution of each particle. - Abstract: Mineral carbonation is one of several alternatives for CO 2 sequestration and storage. The reaction rates of appropriate minerals with CO 2 , for instance olivine and serpentine with vast resources, are relatively slow in a CO 2 sequestration context and the rates have to be increased to make mineral carbonation a good storage alternative. Increasing the dissolution rate of olivine has been the focus of this paper. Olivine was milled with very high energy intensity using a laboratory planetary mill to investigate the effect of mechanical activation on the Mg extraction potential of olivine in 0.01 M HCl solution at room temperature and pressure. Approximately 30-40% of each sample was dissolved and water samples were taken at the end of each experiment. The pH change was used to calculate time series of the Mg concentrations, which also were compared to the final Mg concentrations in the water samples. Percentage dissolved and the specific reaction rates were estimated from the Mg concentration time series. The measured particle size distributions could not explain the rate constants found, but the specific surface area gave a good trend versus dissolution for samples milled wet and the samples milled with a small addition of water. The samples milled dry had the lowest measured specific surface areas ( 2 /g), but had the highest rate constants. The crystallinity calculated from X-ray diffractograms, was the material parameter with the best fit for the observed differences in the rate constants. Geochemical modelling of mechanically activated materials indicated that factors describing the changes in the material properties related to the activation must be included. The

Steam reforming of bio-oil from coconut shell pyrolysis over Fe/olivine catalyst

International Nuclear Information System (INIS)

Quan, Cui; Xu, Shaoping; Zhou, Congcong

2017-01-01

Highlights: • Steam reforming of the actual bio-oil was investigated with Fe/olivine catalyst. • Most of phenols in bio-oil were converted into gas products. • A carbon conversion of 97.2% was obtained under optimized conditions. - Abstract: Catalytic steam reforming of coconut shell pyrolysis bio-oil over Fe/olivine catalyst was conducted in a fixed-bed quartz reactor. The effects of calcination temperature, iron loading, reaction temperature, steam to carbon ratio (S/C), bio-oil weight hourly space velocity (W b HSV) on gas composition and carbon conversion were investigated. The results indicate that Fe/olivine has good activity for steam reforming of bio-oil, the couple Fe 2+/3+ /Fe 2+ may be sufficiently efficient for C–C, C–O and C–H breaking. After steam reforming, most of the phenolics in pyrolysis oil are converted into light molecular compounds such as H 2 , CO, CO 2 , and CH 4 . The H 2 concentration and carbon conversion were enhanced by increasing reaction temperature from 750 to 800 °C and the S/C from 1.5 to 2, but decreased with increasing calcination temperature. In the W b HSV range of 0.5–0.6, the hydrogen concentration decreased obviously, whereas it decreased slightly by further increasing W b HSV. The highest hydrogen concentration of 47.6 vol% was obtained among the catalysts tested, and the best carbon conversion was 97.2% over 10% Fe/olivine catalyst under the reforming conditions of temperature = 800 °C, W b HSV = 0.5, S/C = 2.

Reactions of a stable dialkylsilylene and their mechanisms

Indian Academy of Sciences (India)

Stable silylene; mechanisms; photoreaction; addition; insertion; DFT. 1. ... Some of these reactions provide useful ... Although much attention has been ... sis, structure, and spectroscopic properties of 1 that .... Because silylenes are usually in the singlet ground state ..... selective 1,2-/1,4-addition reactions of dialkylsilylenes.

Pneumatic tool torque reaction: reaction forces, displacement, muscle activity and discomfort in the hand-arm system.

Science.gov (United States)

Kihlberg, S; Kjellberg, A; Lindbeck, L

1993-06-01

Reaction forces, hand-arm displacement, muscle activity and discomfort ratings were studied during the securing of threaded fasteners with three angle nutrunners with different shut-off mechanisms, but with the same spindle torque (72-74 Nm). The three tools were tested according to the method specified in ISO 6544. One of the tools had an almost instantaneous shut-off. Another had a more slowly declining torque curve. For the third tool the maximum torque was maintained for a while before shut-off. Twelve male subjects participated in the study. A force platform measured the reaction force between the subject and the floor. The option of the hand-arm system and the shoulder was measured with an optoelectronic measuring system. The muscle activity (EMG) in six muscles in the arm and shoulder was measured with surface electrodes. Significant differences in the arm movements and ground reaction forces were found between the three tools. The smallest values were found with the fast shut-off tool while the delayed shut-off tool caused the largest values. The EMG measures gave inconsistent response patterns. Discomfort ratings were highly correlated with the time for which the tool torque exceeded 90% of peak preset torque, but the time for which the tool torque exceeded 90% of peak calculated by the method specified in ISO 6544. Nutrunners with a shut-off mechanism that causes a slowly decreasing torque or a torque that is maintained for a while before shut-off should be avoided. If no substitutes are available, then a torque reaction bar should be mounted on the tool.

Production and characterization of Lemna minor bio-char and its catalytic application for biogas reforming

International Nuclear Information System (INIS)

Muradov, Nazim; Fidalgo, Beatriz; Gujar, Amit C.; Garceau, Nathaniel; T-Raissi, Ali

2012-01-01

Pyrolysis of fast-growing aquatic biomass - Lemna minor (commonly known as duckweed) with the emphasis on production, characterization and catalytic application of bio-char is reported in this paper. The yield of bio-char was determined as a function of L. minor pyrolysis temperature and sweep gas flow rate. It was found that the pore development during L. minor pyrolysis was not significant and the changes in the reaction conditions (temperature and sweep gas flow rate) did not alter markedly the textural characteristics and BET surface area of the bio-char produced. Thermogravimetric/differential thermogravimetric (TG/DTG) analyses of L. minor and different bio-char samples in inert (helium) and oxidative (air) media showed substantial differences in their TG/DTG patterns. A comparison of scanning electron micrographs (SEM) of L. minor, bio-char and ash indicated that the basic structural features of L. minor remained intact and were not affected by thermolysis. The inorganic ash content of L. minor derived bio-char is significantly higher than that of typical terrestrial (plant) biomass. The energy dispersive spectroscopic (EDS) analysis of L. minor ash showed that it mostly consisted of silica, and small quantities of Na, K and Ca compounds. The treatment of bio-char with CO 2 at 800 °C increased its BET surface area. It was found that CO 2 -treated bio-char exhibited appreciable initial catalytic activity in biogas reforming. -- Highlights: ► New data on characterization of bio-chars derived from Lemna minor are presented. ► Effect of pyrolysis operational parameters on bio-char properties is determined. ► Basic skeletal structure of Lemna minor leaflets does not change during pyrolysis. ► Bio-chars show an appreciable initial catalytic activity for biogas reforming.

Bio-solubilization of Chinese lignite II: extra-cellular protein analysis

Energy Technology Data Exchange (ETDEWEB)

Tao, Xiu-xiang; Pan, Lan-ying; Shi, Kai-yi; Chen-hui; Yin, Su-dong; Luo, Zhen-fu [China University of Mining & Technology, Xuzhou (China). School of Chemical Engineering and Technology

2009-05-15

A white rot fungus strain, Trichoderma sp. AH, was isolated from rotten wood in Fushun and used to study the mechanism of lignite bio-solubilization. The results showed that nitric acid pretreated Fushun lignite was solubilized by T. sp. AH and that extracellular proteins from T. sp. AH were correlated with the lignite bio-solubilization results. In the presence of Fushun lignite the extracellular protein concentration from T. sp. AH was 4.5 g/L while the concentration was 3 g/L in the absence of Fushun lignite. Sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS-PAGE) of the extracelular proteins detected at least four new protein bands after the T. sp. AH had solubilized the lignite. Enzyme color reactions showed that extracelular proteins from T. sp. AH mainly consisted of phenol-oxidases, but that lignin decomposition enzymes such as laccase, peroxidase and manganese peroxidases were not present. 9 refs., 8 figs.

[Reaction mechanism studies of heavy ion induced nuclear reactions]: Annual progress report, October 1987

International Nuclear Information System (INIS)

Mignerey, A.C.

1987-10-01

The experiments which this group has been working on seek to define the reaction mechanisms responsible for complex fragment emission in heavy ion reactions. The reactions studied are La + La, La + Al, and La + Cu at 46.8 MeV/u; and Ne + Ag and Ne + Au reactions at 250 MeV/u. Another experimental program at the Oak Ridge Hollifield Heavy Ion Research Facility (HHIRF) is designed to measure the excitation energy division between reaction products in asymmetric deep inelastic reactions. A brief description is given of progress to date, the scientific goals of this experiment and the plastic phoswich detectors developed for this experiment

Evaluation of apricot (Prunus armeniaca L.) seed kernel as a potential feedstock for the production of liquid bio-fuels and activated carbons

International Nuclear Information System (INIS)

Fadhil, Abdelrahman B.

2017-01-01

Highlights: • Apricot (Prunus armeniaca L.) is presented as a source for biodiesel, bio-oil and activated carbon. • Methylic and ethylic esters of apricot seed kernel oil conformed to ASTM (D6751) standards. • High yield (43.66% w/w) of bio-oil was produced by pyrolysis of de-oiled seed kernel. • High quality of activated carbon was obtained from the biochar. - Abstract: Production of liquid bio-fuels (biodiesel and bio-oil) as well as activated carbon from one non-edible feedstock, apricot (Prunus armeniaca L.) seed kernel was the main objective of the present research work. The oil was extracted from apricot seed kernel with a yield of 49.44% w/w of kernels. Potassium hydroxide-catalyzed transesterification of apricot (Prunus armeniaca L.) seed kernel oil with methanol and ethanol was then applied to produce methylic and ethylic, respectively. Properties of the obtained biodiesels were evaluated and found conformed to ASTM D 6751 limits. The apricot de-oiled seed kernel was pyrolyzed in a semi-batch reactor for bio-oil production. The effect of the pyrolysis temperatures (350, 400, 450, 500, 550 and 600 °C), pyrolysis time (30, 60, 90, 120 and 150 min) and feed particles size (0.25, 0.40, 0.59 and 0.84 mm) on the bio-oil yield was investigated. The maximum production of bio-oil (43.66% w/w) was achieved at a pyrolysis temperature of 450 °C, 60 min pyrolysis time and a feed particles size of 0.25 mm. The bio-oil obtained under the optimal conditions was characterized by the elemental analysis, FTIR spectroscopy and column chromatography. The FTIR analysis of the produced bio-fuel indicated that it composes mainly of alkanes, alkenes, ketones, carboxylic acids and amines. Properties of the resulting bio-oil were analyzed in terms of calorific value, density, flash point, pH, acid value, pour point and refractive index. The properties were close to those of petroleum fractions and comparable to those of other bio-oils published in literature. Referring to

Field-controlled electron transfer and reaction kinetics of the biological catalytic system of microperoxidase-11 and hydrogen peroxide

Directory of Open Access Journals (Sweden)

Yongki Choi

2011-12-01

Full Text Available Controlled reaction kinetics of the bio-catalytic system of microperoxidase-11 and hydrogen peroxide has been achieved using an electrostatic technique. The technique allowed independent control of 1 the thermodynamics of the system using electrochemical setup and 2 the quantum mechanical tunneling at the interface between microperoxidase-11 and the working electrode by applying a gating voltage to the electrode. The cathodic currents of electrodes immobilized with microperoxidase-11 showed a dependence on the gating voltage in the presence of hydrogen peroxide, indicating a controllable reduction reaction. The measured kinetic parameters of the bio-catalytic reduction showed nonlinear dependences on the gating voltage as the result of modified interfacial electron tunnel due to the field induced at the microperoxidase-11-electrode interface. Our results indicate that the kinetics of the reduction of hydrogen peroxide can be controlled by a gating voltage and illustrate the operation of a field-effect bio-catalytic transistor, whose current-generating mechanism is the conversion of hydrogen peroxide to water with the current being controlled by the gating voltage.

In Vivo Assessment of the Potential for Renal Bio-Effects from the Vaporization of Perfluorocarbon Phase-Change Contrast Agents.

Science.gov (United States)

Nyankima, A Gloria; Rojas, Juan D; Cianciolo, Rachel; Johnson, Kennita A; Dayton, Paul A

2018-02-01

Low-boiling-point perfluorocarbon phase-change contrast agents (PCCAs) provide an alternative to microbubble contrast agents. Although parameter ranges related to in vivo bio-effects of microbubbles are fairly well characterized, few studies have been done to evaluate the potential of bio-effects related to PCCAs. To bridge this gap, we present an assessment of biological effects (e.g., hemorrhage) related to acoustically excited PCCAs in the rodent kidney. The presence or absence of bio-effects was observed after sonication with various perfluorocarbon core PCCAs (decafluorobutane, octafluoropropane or a 1:1 mixture) and as a function of activation pulse mechanical index (MI; minimum activation threshold, which was a moderate MI of 0.81-1.35 vs. a clinical maximum of 1.9). Bio-effects on renal tissue were assessed through hematology and histology including measurement of blood creatinine levels and the quantity of red blood cell (RBC) casts present in hematoxylin and eosin-stained kidney tissue sections after sonication. Short-term (24 h) and long-term (2 and 4 wk) analyses were performed after treatment. Results indicated that bio-effects from PCCA vaporization were not observed at lower mechanical indices. At higher mechanical indices, bio-effects were observed at 24 h, although these were not observable 2 wk after treatment. Copyright © 2018. Published by Elsevier Inc.

Mechanism of the CO2-Ca(OH)2 reaction

International Nuclear Information System (INIS)

Chew, V.S.; Cheh, C.H.; Glass, R.W.

1983-01-01

Recent studies clearly showed the importance of moisture in achieving high Ca(OH) 2 absorbent utilization for removing CO 2 from gas streams at ambient temperatures. However, the role of moisture and the mechanism of the reaction was not well understood. This paper summarizes the results of a study of the mechanism of the CO 2 -Ca(OH) 2 reaction with emphasis on the role of moisture. The reaction between Ca(OH) 2 and CO 2 in moist N 2 was found to be first order with respect to the reactants with a rate constant of about 100 min -1 . At high humidities, the rate of reaction was chemically controlled, but at low humidities, the reaction rate was limited by the diffusion through the carbonate layer formed by the reaction. Calculations showed that capillary condensation could have occurred only in about 2% of the pore volume and was unlikely to have affected the reaction rate significantly by allowing the reaction to occur in the liquid phase. It was, therefore, concluded that the main role of moisture was to improve the Ca(OH) 2 utilization by lowering the resistance to diffusion through the carbonate layer

Determination of Carbonyl Functional Groups in Bio-oils by Potentiometric Titration: The Faix Method.

Science.gov (United States)

Black, Stuart; Ferrell, Jack R

2017-02-07

Carbonyl compounds present in bio-oils are known to be responsible for bio-oil property changes upon storage and during upgrading. Specifically, carbonyls cause an increase in viscosity (often referred to as 'aging') during storage of bio-oils. As such, carbonyl content has previously been used as a method of tracking bio-oil aging and condensation reactions with less variability than viscosity measurements. Additionally, carbonyls are also responsible for coke formation in bio-oil upgrading processes. Given the importance of carbonyls in bio-oils, accurate analytical methods for their quantification are very important for the bio-oil community. Potentiometric titration methods based on carbonyl oximation have long been used for the determination of carbonyl content in pyrolysis bio-oils. Here, we present a modification of the traditional carbonyl oximation procedures that results in less reaction time, smaller sample size, higher precision, and more accurate carbonyl determinations. While traditional carbonyl oximation methods occur at room temperature, the Faix method presented here occurs at an elevated temperature of 80 °C.

Alcali-silica reactions: Mechanisms for crack formations

DEFF Research Database (Denmark)

Goltermann, Per

2006-01-01

Alkali-silica reactions (ASR) are found all over the world and cause a large number of damage, which have lead to different sets of requirements in the different countries for the aggregates, the cements and the admixtures. One of the reasons for the damage and the different requirements is that ......Alkali-silica reactions (ASR) are found all over the world and cause a large number of damage, which have lead to different sets of requirements in the different countries for the aggregates, the cements and the admixtures. One of the reasons for the damage and the different requirements...... is that the mechanical behavior of the ASR has not been fully investigated, although the chemical aspects of ASR have been dealt with in depth. This paper presents a unified, mechanical explanation of the ASR damage mechanism, covering the relevant aspects of the diffusion model; the stress-variations in the aggregate...

Nano-catalysts for upgrading bio-oil: Catalytic decarboxylation and hydrodeoxygenation

Science.gov (United States)

Uemura, Yoshimitsu; Tran, Nga T. T.; Naqvi, Salman Raza; Nishiyama, Norikazu

2017-09-01

Bio-oil is a mixture of oxygenated chemicals produced by fast pyrolysis of lignocellulose, and has attracted much attention recently because the raw material is renewable. Primarily, bio-oil can be used as a replacement of heavy oil. But it is not highly recommended due to bio-oil's inferior properties: high acidity and short shelf life. Upgrading of bio-oil is therefore one of the important technologies nowadays, and is categorized into the two: (A) decrarboxylation/decarbonylation by solid acid catalysts and (B) hydrodeoxygenation (HDO) by metallic catalysts. In our research group, decarboxylation of bio-oil by zeolites and HDO of guaiacol (a model compound of bio-oil) have been investigated. In this paper, recent developments of these upgrading reactions in our research group will be introduced.

Novel error propagation approach for reducing H2S/O2 reaction mechanism

International Nuclear Information System (INIS)

Selim, H.; Gupta, A.K.; Sassi, M.

2012-01-01

A reduction strategy of hydrogen sulfide/oxygen reaction mechanism is conducted to simplify the detailed mechanism. Direct relation graph and error propagation methodology (DRGEP) has been used. A novel approach of direct elementary reaction error (DERE) has been developed in this study. The developed approach allowed for further reduction of the reaction mechanism. The reduced mechanism has been compared with the detailed mechanism under different conditions to emphasize its validity. The results obtained from the resulting reduced mechanism showed good agreement with that from the detailed mechanism. However, some discrepancies have been found for some species. Hydrogen and oxygen mole fractions showed the largest discrepancy of all combustion products. The reduced mechanism was also found to be capable of tracking the changes that occur in chemical kinetics through the change in reaction conditions. A comparison on the ignition delay time obtained from the reduced mechanism and previous experimental data showed good agreement. The reduced mechanism was used to track changes in mechanistic pathways of Claus reactions with the reaction progress.

Mechanical and optical characterization of bio-nanocomposite from pineapple leaf fiber material for food packaging

Science.gov (United States)

Nikmatin, Siti; Rudwiyanti, Jerry R.; Prasetyo, Kurnia W.; Yedi, Dwi A.

2015-01-01

The utilization of Bio-nanocomposite material that was derived from pineapple leaf fiber as filler and tapioca starch with plasticizer glycerol as a matrix for food packaging can reduce the use of plastic that usually was made from petroleum materials. It is important to develop and producethis environmental friendly plastic because of limited availability of petroleum nowadays. The process of synthesize and characterization tapioca starch with the plasticizer glycerol bionanocomposites using print method had been conducted. There were 3 samples with different filler concentration variation; 3%, 4% and 5%.The results of mechanical test from each sample showed that bio-nanocomposite with 5% filler concentration was the optimum sample with 4.6320 MPa for tensile strength test and 24.87% for the elongation test. Based on the result of optical test for each sample was gained that along with the increasing of concentration filler would make the absorbance value of the sample became decreased, bio-nanocomposite with 5% filler concentration had several peaks with low absorbance values. The first peak was in 253 nm of wavelength regionwith absorbance of 0.131%, and the second peak was in 343 nmwavelength region and absorbance was 0.087%.

Viewing loved faces inhibits defense reactions: a health-promotion mechanism?

Directory of Open Access Journals (Sweden)

Pedro Guerra

Full Text Available We have known for decades that social support is associated with positive health outcomes. And yet, the neurophysiological mechanisms underlying this association remain poorly understood. The link between social support and positive health outcomes is likely to depend on the neurophysiological regulatory mechanisms underlying reward and defensive reactions. The present study examines the hypothesis that emotional social support (love provides safety cues that activate the appetitive reward system and simultaneously inhibit defense reactions. Using the startle probe paradigm, 54 undergraduate students (24 men viewed black and white photographs of loved (romantic partner, father, mother, and best friend, neutral (unknown, and unpleasant (mutilated faces. Eye-blink startle, zygomatic major activity, heart rate, and skin conductance responses to the faces, together with subjective ratings of valence, arousal, and dominance, were obtained. Viewing loved faces induced a marked inhibition of the eye-blink startle response accompanied by a pattern of zygomatic, heart rate, skin conductance, and subjective changes indicative of an intense positive emotional response. Effects were similar for men and women, but the startle inhibition and the zygomatic response were larger in female participants. A comparison between the faces of the romantic partner and the parent who shares the partner's gender further suggests that this effect is not attributable to familiarity or arousal. We conclude that this inhibitory capacity may contribute to the health benefits associated with social support.

Viewing loved faces inhibits defense reactions: a health-promotion mechanism?

Science.gov (United States)

Guerra, Pedro; Sánchez-Adam, Alicia; Anllo-Vento, Lourdes; Ramírez, Isabel; Vila, Jaime

2012-01-01

We have known for decades that social support is associated with positive health outcomes. And yet, the neurophysiological mechanisms underlying this association remain poorly understood. The link between social support and positive health outcomes is likely to depend on the neurophysiological regulatory mechanisms underlying reward and defensive reactions. The present study examines the hypothesis that emotional social support (love) provides safety cues that activate the appetitive reward system and simultaneously inhibit defense reactions. Using the startle probe paradigm, 54 undergraduate students (24 men) viewed black and white photographs of loved (romantic partner, father, mother, and best friend), neutral (unknown), and unpleasant (mutilated) faces. Eye-blink startle, zygomatic major activity, heart rate, and skin conductance responses to the faces, together with subjective ratings of valence, arousal, and dominance, were obtained. Viewing loved faces induced a marked inhibition of the eye-blink startle response accompanied by a pattern of zygomatic, heart rate, skin conductance, and subjective changes indicative of an intense positive emotional response. Effects were similar for men and women, but the startle inhibition and the zygomatic response were larger in female participants. A comparison between the faces of the romantic partner and the parent who shares the partner's gender further suggests that this effect is not attributable to familiarity or arousal. We conclude that this inhibitory capacity may contribute to the health benefits associated with social support.

A scoping review on bio-aerosols in healthcare and the dental environment.

Directory of Open Access Journals (Sweden)

Charifa Zemouri

Full Text Available Bio-aerosols originate from different sources and their potentially pathogenic nature may form a hazard to healthcare workers and patients. So far no extensive review on existing evidence regarding bio-aerosols is available.This study aimed to review evidence on bio-aerosols in healthcare and the dental setting. The objectives were 1 What are the sources that generate bio-aerosols?; 2 What is the microbial load and composition of bio-aerosols and how were they measured?; and 3 What is the hazard posed by pathogenic micro-organisms transported via the aerosol route of transmission?Systematic scoping review design. Searched in PubMed and EMBASE from inception to 09-03-2016. References were screened and selected based on abstract and full text according to eligibility criteria. Full text articles were assessed for inclusion and summarized. The results are presented in three separate objectives and summarized for an overview of evidence.The search yielded 5,823 studies, of which 62 were included. Dental hand pieces were found to generate aerosols in the dental settings. Another 30 sources from human activities, interventions and daily cleaning performances in the hospital also generate aerosols. Fifty-five bacterial species, 45 fungi genera and ten viruses were identified in a hospital setting and 16 bacterial and 23 fungal species in the dental environment. Patients with certain risk factors had a higher chance to acquire Legionella in hospitals. Such infections can lead to irreversible septic shock and death. Only a few studies found that bio-aerosol generating procedures resulted in transmission of infectious diseases or allergic reactions.Bio-aerosols are generated via multiple sources such as different interventions, instruments and human activity. Bio-aerosols compositions reported are heterogeneous in their microbiological composition dependent on the setting and methodology. Legionella species were found to be a bio-aerosol dependent hazard

Control of Maillard Reactions in Foods: Strategies and Chemical Mechanisms.

Science.gov (United States)

Lund, Marianne N; Ray, Colin A

2017-06-14

Maillard reactions lead to changes in food color, organoleptic properties, protein functionality, and protein digestibility. Numerous different strategies for controlling Maillard reactions in foods have been attempted during the past decades. In this paper, recent advances in strategies for controlling the Maillard reaction and subsequent downstream reaction products in food systems are critically reviewed. The underlying mechanisms at play are presented, strengths and weaknesses of each strategy are discussed, and reasonable reaction mechanisms are proposed to reinforce the evaluations. The review includes strategies involving addition of functional ingredients, such as plant polyphenols and vitamins, as well as enzymes. The resulting trapping or modification of Maillard targets, reactive intermediates, and advanced glycation endproducts (AGEs) are presented with their potential unwanted side effects. Finally, recent advances in processing for control of Maillard reactions are discussed.

Kinetics and mechanism of oxygen reduction reaction at CoPd system synthesized on XC72

International Nuclear Information System (INIS)

Tarasevich, M.R.; Chalykh, A.E.; Bogdanovskaya, V.A.; Kuznetsova, L.N.; Kapustina, N.A.; Efremov, B.N.; Ehrenburg, M.R.; Reznikova, L.A.

2006-01-01

Studies are presented of the kinetics and mechanism of oxygen electroreduction reaction on CoPd catalysts synthesized on carbon black XC72. As shown both in model conditions and in the tests within the cathodes of hydrogen-oxygen fuel cells with proton conducting electrolyte, CoPd/C system features a higher activity, as compared to Co/C. The highest activity in the oxygen reduction reaction is demonstrated by the catalysts with the Pd:Co atomic ratio being 7:3 and 4:1. The structural studies (XPS and XRD, and also the data of CO desorption measurements) evidence the CoPd alloy formation, which is reflected in the negative shift of the bonding energy maximum as compared to Pd/C and in the appearance of the additional CO desorption maximums on the voltammograms. It is found by means of structural research that CoPd alloy is formed in the course of the catalyst synthesis which features a higher catalytic activity of the binary systems. Besides, CoPd/C catalyst is more stable in respect to corrosion than Pd supported on carbon black. The measurements on the rotating disc electrode and rotating ring-disc electrode evidence that CoPd/C system provides the predominant oxygen reduction to water in the practically important range of potentials (E > 0.7 V). The proximity of kinetic parameters of the oxygen reduction reaction on CoPd/C and Pt/C catalysts points to the similar reaction mechanism. The slow step of the reaction is the addition of the first electron to the adsorbed and previously protonated O 2 molecule. The assumptions are offered about the reasons causing the higher activity and selectivity of the binary catalyst towards oxygen reduction to water, as compared to Co/C. The studies of the most active catalysts within the fuel cell cathodes are performed

Hydrothermal Liquefaction of Dried Distillers Grains with solubles: A reaction temperature study

DEFF Research Database (Denmark)

Mørup, Anders; Christensen, Per Runge; Aarup, David Friis

2012-01-01

provides rapid heating of biomass feeds and the option of performing multiple sequential repetitions. This bypasses long, uncontrollable temperature gradients and unintended changes in the reaction chemistry. The product, a crude bio-oil, was characterized in terms of yield, elemental composition......The effect of the reaction temperature on hydrothermal liquefaction of dried distillers grains with solubles (DDGS) was investigated using a novel stop-flow reactor system at varying temperatures (300–400 °C), fixed pressure (250 bar), and fixed reaction time (15 min). The stop-flow reactor......, and chemical composition. Higher reaction temperatures resulted in improved bio-oil yields, less char formation, and higher heating values of the bio-oil. A supercritical reaction temperature of 400 °C was found to produce bio-oil in the highest yields and of the best quality....

Reaction kinetics, reaction products and compressive strength of ternary activators activated slag designed by Taguchi method

NARCIS (Netherlands)

Yuan, B.; Yu, Q.L.; Brouwers, H.J.H.

2015-01-01

This study investigates the reaction kinetics, the reaction products and the compressive strength of slag activated by ternary activators, namely waterglass, sodium hydroxide and sodium carbonate. Nine mixtures are designed by the Taguchi method considering the factors of sodium carbonate content

[Mechanism of catalytic ozonation for the degradation of paracetamol by activated carbon].

Science.gov (United States)

Wang, Jia-Yu; Dai, Qi-Zhou; Yu, Jie; Yan, Yi-Zhou; Chen, Jian-Meng

2013-04-01

The degradation of paracetamol (APAP) in aqueous solution was studied with ozonation integrated with activated carbon (AC). The synergistic effect of ozonation/AC process was explored by comparing the degradation efficiency of APAP in three processes (ozonation alone, activated carbon alone and ozonation integrated with activated carbon). The operational parameters that affected the reaction rate were carefully optimized. Based on the intermediates detected, the possible pathway for catalytic degradation was discussed and the reaction mechanism was also investigated. The results showed that the TOC removal reached 55.11% at 60 min in the AC/O3 system, and was significantly better than the sum of ozonation alone (20.22%) and activated carbon alone (27.39%), showing the great synergistic effect. And the BOD5/COD ratio increased from 0.086 (before reaction) to 0.543 (after reaction), indicating that the biodegradability was also greatly improved. The effects of the initial concentration of APAP, pH value, ozone dosage and AC dosage on the variation of reaction rate were carefully discussed. The catalytic reaction mechanism was different at different pH values: the organic pollutions were removed by adsorption and direct ozone oxidation at acidic pH, and mainly by catalytic ozonation at alkaline pH.

A Next Generation BioPhotonics Workstation

DEFF Research Database (Denmark)

Glückstad, Jesper; Palima, Darwin; Tauro, Sandeep

2011-01-01

We are developing a Next Generation BioPhotonics Workstation to be applied in research on regulated microbial cell growth including their underlying physiological mechanisms, in vivo characterization of cell constituents and manufacturing of nanostructures and meta-materials.......We are developing a Next Generation BioPhotonics Workstation to be applied in research on regulated microbial cell growth including their underlying physiological mechanisms, in vivo characterization of cell constituents and manufacturing of nanostructures and meta-materials....

New mechanism of spiral wave initiation in a reaction-diffusion-mechanics system.

Science.gov (United States)

Weise, Louis D; Panfilov, Alexander V

2011-01-01

Spiral wave initiation in the heart muscle is a mechanism for the onset of dangerous cardiac arrhythmias. A standard protocol for spiral wave initiation is the application of a stimulus in the refractory tail of a propagating excitation wave, a region that we call the "classical vulnerable zone." Previous studies of vulnerability to spiral wave initiation did not take the influence of deformation into account, which has been shown to have a substantial effect on the excitation process of cardiomyocytes via the mechano-electrical feedback phenomenon. In this work we study the effect of deformation on the vulnerability of excitable media in a discrete reaction-diffusion-mechanics (dRDM) model. The dRDM model combines FitzHugh-Nagumo type equations for cardiac excitation with a discrete mechanical description of a finite-elastic isotropic material (Seth material) to model cardiac excitation-contraction coupling and stretch activated depolarizing current. We show that deformation alters the "classical," and forms a new vulnerable zone at longer coupling intervals. This mechanically caused vulnerable zone results in a new mechanism of spiral wave initiation, where unidirectional conduction block and rotation directions of the consequently initiated spiral waves are opposite compared to the mechanism of spiral wave initiation due to the "classical vulnerable zone." We show that this new mechanism of spiral wave initiation can naturally occur in situations that involve wave fronts with curvature, and discuss its relation to supernormal excitability of cardiac tissue. The concept of mechanically induced vulnerability may lead to a better understanding about the onset of dangerous heart arrhythmias via mechano-electrical feedback.

Determining Role of the Chain Mechanism in the Temperature Dependence of the Gas-Phase Rate of Combustion Reactions

Science.gov (United States)

Azatyan, V. V.; Bolod'yan, I. A.; Kopylov, N. P.; Kopylov, S. N.; Prokopenko, V. M.; Shebeko, Yu. N.

2018-05-01

It is shown that the strong dependence of the rate of gas-phase combustion reactions on temperature is determined by the high values of the reaction rate constants of free atoms and radicals. It is established that with a branched chain mechanism, a special role in the reaction rate temperature dependence is played by positive feedback between the concentrations of active intermediate species and the rate of their change. The role of the chemical mechanism in the temperature dependence of the process rate with and without inhibitors is considered.

Gas-phase thermolysis reaction of formaldehyde diperoxide. Kinetic study and theoretical mechanisms

Energy Technology Data Exchange (ETDEWEB)

Jorge, Nelly Lidia [Instituto Andaluz de Ciencias de la Tierra, CSIC-Universidad de Granada, Av. Las Palmeras 4, 18100 Armilla, Granada (Spain); Area de Quimica Fisica Facultad de Ciencias Exactas y Naturales y Agrimensura, UNNE, Avda. Libertad 5460, 3400 Corrientes (Argentina); Romero, Jorge Marcelo [Area de Quimica Fisica Facultad de Ciencias Exactas y Naturales y Agrimensura, UNNE, Avda. Libertad 5460, 3400 Corrientes (Argentina); Grand, Andre [INAC, SCIB, Laboratoire ' Lesions des Acides Nucleiques' , UMR CEA-UJF E3, CEA-Grenoble, 17 Rue des Martyrs, 38054 Grenoble cedex 9 (France); Hernandez-Laguna, Alfonso, E-mail: ahlaguna@ugr.es [Instituto Andaluz de Ciencias de la Tierra, CSIC-Universidad de Granada, Av. Las Palmeras 4, 18100 Armilla, Granada (Spain)

2012-01-17

Highlights: Black-Right-Pointing-Pointer Kinetic and mechanism of the gas-phase thermolysis of tetroxane were determined. Black-Right-Pointing-Pointer Gas chromatography and computational potential energy surfaces were performed. Black-Right-Pointing-Pointer A mechanism in steps looked like the most probable mechanism. Black-Right-Pointing-Pointer A spin-orbit coupling appeared at the singlet and triple diradical open structures. Black-Right-Pointing-Pointer A non-adiabatic crossing from the singlet to the triplet state occurred. - Abstract: Gas-phase thermolysis reaction of formaldehyde diperoxide (1,2,4,5-tetroxane) was performed in an injection chamber of a gas chromatograph at a range of 463-503 K. The average Arrhenius activation energy and pre-exponential factor were 29.3 {+-} 0.8 kcal/mol and 5.2 Multiplication-Sign 10{sup 13} s{sup -1}, respectively. Critical points and reaction paths of the ground singlet and first triplet potential energy surfaces (PES) were calculated, using DFT method at BHANDHLYP/6-311+G{sup Asterisk-Operator Asterisk-Operator} level of the theory. Also, G3 calculations were performed on the reactant and products. Reaction by the ground-singlet and first-triplet states turned out to be endothermic and exothermic, respectively. The mechanism in three steps seemed to be the most probable one. An electronically non-adiabatic process appeared, in which a crossing, at an open diradical structure, from the singlet to the triplet state PES occurred, due to a spin-orbit coupling, yielding an exothermic reaction. Theoretical kinetic constant coming from the non- adiabatic transition from the singlet to the triplet state agrees with the experimental values.

Optical bio-sniffer for methyl mercaptan in halitosis.

Science.gov (United States)

Mitsubayashi, Kohji; Minamide, Takeshi; Otsuka, Kimio; Kudo, Hiroyuki; Saito, Hirokazu

2006-07-28

An optical bio-sniffer for methyl mercaptan (MM) one of major odorous chemicals in halitosis (bad breath) was constructed by immobilizing monoamine oxidase type A (MAO-A) onto a tip of a fiber optic oxygen sensor (od: 1.59 mm) with an oxygen sensitive ruthenium organic complex (excitation: 470 nm, fluorescent: 600 nm). A flow cell for circulating buffer solution was applied to rinse and clean the tip of the device like nasal mucosa. In order to amplify the bio-sniffer output, a substrate regeneration cycle caused by coupling MAO-A with l-ascorbic acid (AsA) as reducing reaction with reagent system was applied to the sensor system. After evaluating the sensor characteristics using a gas flow measurement system with a gas generator, the optical bio-sniffer was applied to expired gases from healthy male volunteers for halitosis analysis as a physiological application. The optical bio-sniffer was applied to detect the oxygen consumption induced by MAO-A enzymatic reaction (and AsA chemical reduction) with gaseous MM application. The bio-sniffer was calibrated against MM vapor from 8.7 to 11500 ppb with correlation coefficient of 0.977, including a MM threshold (200 ppb) of pathologic halitosis and the human sense of smell level 3.5 (10.0 ppb), with good gas-selectivity based on the MAO-A substrate specificity. As the result of the physiological application, the optical bio-sniffer could successfully monitor the MM level change in breath samples during daytime, which is consistent with the previously reported results.

Biophysical response of living cells to boron nitride nanoparticles: uptake mechanism and bio-mechanical characterization

Energy Technology Data Exchange (ETDEWEB)

Rasel, Md. Alim Iftekhar; Li, Tong; Nguyen, Trung Dung; Singh, Sanjleena [Queensland University of Technology (QUT), School of Chemistry, Physics and Mechanical Engineering (Australia); Zhou, Yinghong; Xiao, Yin [Queensland University of Technology (QUT), Institute of Health and Biomedical Innovation (Australia); Gu, YuanTong, E-mail: yuantong.gu@qut.edu.au [Queensland University of Technology (QUT), School of Chemistry, Physics and Mechanical Engineering (Australia)

2015-11-15

Boron nitride nanomaterials have attracted significant interest due to their superior chemical and physical properties. Despite these novel properties, investigation on the interaction between boron nitride nanoparticle (BN NP) and living systems has been limited. In this study, BN NP (100–250 nm) is assessed as a promising biomaterial for medical applications. The toxicity of BN NP is evaluated by assessing the cells behaviours both biologically (MTT assay, ROS detection etc.) and physically (atomic force microscopy). The uptake mechanism of BN NP is studied by analysing the alternations in cellular morphology based on cell imaging techniques. The results demonstrate in vitro cytocompatibility of BN NP with immense potential for use as an effective nanoparticle for various bio-medical applications.

Pre-equilibrium nuclear reactions: An introduction to classical and quantum-mechanical models

International Nuclear Information System (INIS)

Koning, A.J.; Akkermans, J.M.

1999-01-01

In studies of light-ion induced nuclear reactions one distinguishes three different mechanisms: direct, compound and pre-equilibrium nuclear reactions. These reaction processes can be subdivided according to time scales or, equivalently, the number of intranuclear collisions taking place before emission. Furthermore, each mechanism preferably excites certain parts of the nuclear level spectrum and is characterized by different types of angular distributions. This presentation includes description of the classical, exciton model, semi-classical models, with some selected results, and quantum mechanical models. A survey of classical versus quantum-mechanical pre-equilibrium reaction theory is presented including practical applications

Characteristics, kinetics and thermodynamics of Congo Red bio sorption by activated sulfidogenic sludge from an aqueous solution

International Nuclear Information System (INIS)

Rasool, K.; Lee, D. S.

2015-01-01

The kinetics and thermodynamics of the bio sorption of textile dye Congo Red on anaerobic activated sulfidogenic sludge were examined. The influence of different adsorption parameters such as p H, temperature, contact time and initial dye concentrations on the bio sorption capacity was also investigated. The sulfidogenic sludge showed a maximum bio sorption density of 238.90 mg dye/g cell for Congo Red at an initial dye concentration of 1,000 mg/L, p H 3.5 and 22 C, which is higher than that of many other adsorbents reported in the literature. The bio sorption processes obeyed the Langmuir isotherm and exhibited pseudo-second-order rate kinetics. The thermodynamic parameters indicated the spontaneous and exothermic nature of Congo Red bio sorption. The Fourier transform infrared spectra revealed the dye interaction with the biomass. Scanning electron microscopy showed significant changes in the surface morphology of the sludge after dye bio sorption. These results showed that sulfidogenic sludge biomass is an attractive alternative low-cost bio sorbent for the removal of the dye from aqueous media.

Circulating Biologically Active Adrenomedullin (bio-ADM) Predicts Hemodynamic Support Requirement and Mortality During Sepsis.

Science.gov (United States)

Caironi, Pietro; Latini, Roberto; Struck, Joachim; Hartmann, Oliver; Bergmann, Andreas; Maggio, Giuseppe; Cavana, Marco; Tognoni, Gianni; Pesenti, Antonio; Gattinoni, Luciano; Masson, Serge

2017-08-01

The biological role of adrenomedullin (ADM), a hormone involved in hemodynamic homeostasis, is controversial in sepsis because administration of either the peptide or an antibody against it may be beneficial. Plasma biologically active ADM (bio-ADM) was assessed on days 1, 2, and 7 after randomization of 956 patients with sepsis or septic shock to albumin or crystalloids for fluid resuscitation in the multicenter Albumin Italian Outcome Sepsis trial. We tested the association of bio-ADM and its time-dependent variation with fluid therapy, vasopressor administration, organ failures, and mortality. Plasma bio-ADM on day 1 (median [Q1-Q3], 110 [59-198] pg/mL) was higher in patients with septic shock, associated with 90-day mortality, multiple organ failures and the average extent of hemodynamic support therapy (fluids and vasopressors), and serum lactate time course over the first week. Moreover, it predicted incident cardiovascular dysfunction in patients without shock at enrollment (OR [95% CI], 1.9 [1.4-2.5]; P sepsis, the circulating, biologically active form of ADM may help individualizing hemodynamic support therapy, while avoiding harmful effects. Its possible pathophysiologic role makes bio-ADM a potential candidate for future targeted therapies. ClinicalTrials.gov; No.: NCT00707122. Copyright © 2017 American College of Chest Physicians. Published by Elsevier Inc. All rights reserved.

Bio-Orthogonally Crosslinked, Engineered Protein Hydrogels with Tunable Mechanics and Biochemistry for Cell Encapsulation.

Science.gov (United States)

Madl, Christopher M; Katz, Lily M; Heilshorn, Sarah C

2016-06-07

Covalently-crosslinked hydrogels are commonly used as 3D matrices for cell culture and transplantation. However, the crosslinking chemistries used to prepare these gels generally cross-react with functional groups present on the cell surface, potentially leading to cytotoxicity and other undesired effects. Bio-orthogonal chemistries have been developed that do not react with biologically relevant functional groups, thereby preventing these undesirable side reactions. However, previously developed biomaterials using these chemistries still possess less than ideal properties for cell encapsulation, such as slow gelation kinetics and limited tuning of matrix mechanics and biochemistry. Here, engineered elastin-like proteins (ELPs) are developed that cross-link via strain-promoted azide-alkyne cycloaddition (SPAAC) or Staudinger ligation. The SPAAC-crosslinked materials form gels within seconds and complete gelation within minutes. These hydrogels support the encapsulation and phenotypic maintenance of human mesenchymal stem cells, human umbilical vein endothelial cells, and murine neural progenitor cells. SPAAC-ELP gels exhibit independent tuning of stiffness and cell adhesion, with significantly improved cell viability and spreading observed in materials containing a fibronectin-derived arginine-glycine-aspartic acid (RGD) domain. The crosslinking chemistry used permits further material functionalization, even in the presence of cells and serum. These hydrogels are anticipated to be useful in a wide range of applications, including therapeutic cell delivery and bioprinting.

Microstructure, mechanical properties and bio-corrosion properties of Mg-Si(-Ca, Zn) alloy for biomedical application.

Science.gov (United States)

Zhang, Erlin; Yang, Lei; Xu, Jianwei; Chen, Haiyan

2010-05-01

Mg-Si alloy was investigated for biomedical application due to the biological function of Si in the human body. However, Mg-Si alloy showed a low ductility due to the presence of coarse Mg(2)Si. Ca and Zn elements were used to refine and modify the morphology of Mg(2)Si in order to improve the corrosion resistance and the mechanical properties. The cell toxicity of Mg, Zn and Ca metals was assessed by an MTT test. The test results indicated that increasing the concentrations of Mg, Zn and Ca ions did not cause cell toxicity, which showed that the release of these three elements would not lead to cell toxicity. Then, microstructure, mechanical properties and bio-corrosion properties of as-cast Mg-Si(-Ca, Zn) alloys were investigated by optical microscopy, scanning electronic microscopy, mechanical properties testing and electrochemical measurement. Ca element can slightly refine the grain size and the morphology Mg(2)Si phase in Mg-Si alloy. The bio-corrosion resistance of Mg-Si alloys was improved by the addition of Ca due to the reduction and refinement of Mg(2)Si phase; however, no improvement was observed in the strength and elongation. The addition of 1.6% Zn to Mg-0.6Si can modify obviously the morphology of Mg(2)Si phase from course eutectic structure to a small dot or short bar shape. As a result, tensile strength, elongation and bio-corrosion resistance were all improved significantly; especially, the elongation improved by 115.7%. It was concluded that Zn element was one of the best alloying elements of Mg-Si alloy for biomedical application. Copyright (c) 2009 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Expanding the Enzyme Universe: Accessing Non-Natural Reactions by Mechanism-Guided Directed Evolution

Science.gov (United States)

Renata, Hans; Wang, Z. Jane

2015-01-01

High selectivities and exquisite control over reaction outcomes entice chemists to use biocatalysts in organic synthesis. However, many useful reactions are not accessible because they are not in nature’s known repertoire. We will use this review to outline an evolutionary approach to engineering enzymes to catalyze reactions not found in nature. We begin with examples of how nature has discovered new catalytic functions and how such evolutionary progressions have been recapitulated in the laboratory starting from extant enzymes. We then examine non-native enzyme activities that have been discovered and exploited for chemical synthesis, emphasizing reactions that do not have natural counterparts. The new functions have mechanistic parallels to the native reaction mechanisms that often manifest as catalytic promiscuity and the ability to convert from one function to the other with minimal mutation. We present examples of how non-natural activities have been improved by directed evolution, mimicking the process used by nature to create new catalysts. Examples of new enzyme functions include epoxide opening reactions with non-natural nucleophiles catalyzed by a laboratory-evolved halohydrin dehalogenase, cyclopropanation and other carbene transfer reactions catalyzed by cytochrome P450 variants, and non-natural modes of cyclization by a modified terpene synthase. Lastly, we describe discoveries of non-native catalytic functions that may provide future opportunities for expanding the enzyme universe. PMID:25649694

Reaction mechanism of dicofol removal by cellulase.

Science.gov (United States)

Wang, Ziyuan; Yang, Ting; Zhai, Zihan; Zhang, Boya; Zhang, Jianbo

2015-10-01

It remains unclear whether dicofol should be defined as a persistent organic pollutant. Its environmental persistence has gained attention. This study focused on its degradation by cellulase. Cellulase was separated using a gel chromatogram, and its degradation activity towards dicofol involved its endoglucanase activity. By analyzing the kinetic parameters of cellulase reacting with mixed substrates, it was shown that cellulase reacted on dicofol and carboxyl methyl cellulose through two different active centers. Thus, the degradation of dicofol was shown to be an oxidative process by cellulase. Next, by comparing the impacts of tert-butyl alcohol (a typical OH free-radical inhibitor) on the removal efficiencies of dicofol under both cellulase and Fenton reagent systems, it was shown that the removal of dicofol was initiated by OH free radicals produced by cellulase. Finally, 4,4'-dichloro-dibenzophenone and chloride were detected using gas chromatography mass spectrometry and ion chromatography analysis, which supported our hypothesis. The reaction mechanism was analyzed and involved an attack by OH free radicals at the orthocarbon of dicofol, resulting in the degradation product 4,4'-dichloro-dibenzophenone. Copyright © 2015. Published by Elsevier B.V.

The Electronic Flux in Chemical Reactions. Insights on the Mechanism of the Maillard Reaction

Science.gov (United States)

Flores, Patricio; Gutiérrez-Oliva, Soledad; Herrera, Bárbara; Silva, Eduardo; Toro-Labbé, Alejandro

2007-11-01

The electronic transfer that occurs during a chemical process is analysed in term of a new concept, the electronic flux, that allows characterizing the regions along the reaction coordinate where electron transfer is actually taking place. The electron flux is quantified through the variation of the electronic chemical potential with respect to the reaction coordinate and is used, together with the reaction force, to shed light on reaction mechanism of the Schiff base formation in the Maillard reaction. By partitioning the reaction coordinate in regions in which different process might be taking place, electronic reordering associated to polarization and transfer has been identified and found to be localized at specific transition state regions where most bond forming and breaking occur.

Bio-mechanical Analysis of Human Joints and Extension of the Study to Robot

OpenAIRE

S. Parasuraman; Ler Shiaw Pei

2008-01-01

In this paper, the bio-mechanical analysis of human joints is carried out and the study is extended to the robot manipulator. This study will first focus on the kinematics of human arm which include the movement of each joint in shoulder, wrist, elbow and finger complexes. Those analyses are then extended to the design of a human robot manipulator. A simulator is built for Direct Kinematics and Inverse Kinematics of human arm. In the simulation of Direct Kinematics, the human joint angles can...

Activation cross section of 63Cu(n,α)60Co reaction

International Nuclear Information System (INIS)

Lu Hanlin; Zhao Wenrong; Yu Weixiang; Yuan Xialin

1990-01-01

The mechanical properties of copper during the irradiation with intensive neutron fluence rate are significant for the safe operation of D-T fusion power reactors. The cross sections measured by activation method show a large discrepancy from 36 to 54 mb in 14 MeV region. The cross sections of 69 Cu(n, α) 60 Co reaction were measured by activation method. Two irradiations were carried out at the Cockcroft-wallon and Van de Graaff accelerators of CIAE using T(d, n) 4 He reaction to produce neutrons. The activities of 24 Na and 60 Co γ-rays for monitor and sample foils were determined absolutely by a calibrated Ge(Li) detector system with an accuracy better than 1%. The present results are compared with the others

Modeling of the Reaction Mechanism of Enzymatic Radical C–C Coupling by Benzylsuccinate Synthase

Directory of Open Access Journals (Sweden)

Maciej Szaleniec

2016-04-01

Full Text Available Molecular modeling techniques and density functional theory calculations were performed to study the mechanism of enzymatic radical C–C coupling catalyzed by benzylsuccinate synthase (BSS. BSS has been identified as a glycyl radical enzyme that catalyzes the enantiospecific fumarate addition to toluene initiating its anaerobic metabolism in the denitrifying bacterium Thauera aromatica, and this reaction represents the general mechanism of toluene degradation in all known anaerobic degraders. In this work docking calculations, classical molecular dynamics (MD simulations, and DFT+D2 cluster modeling was employed to address the following questions: (i What mechanistic details of the BSS reaction yield the most probable molecular model? (ii What is the molecular basis of enantiospecificity of BSS? (iii Is the proposed mechanism consistent with experimental observations, such as an inversion of the stereochemistry of the benzylic protons, syn addition of toluene to fumarate, exclusive production of (R-benzylsuccinate as a product and a kinetic isotope effect (KIE ranging between 2 and 4? The quantum mechanics (QM modeling confirms that the previously proposed hypothetical mechanism is the most probable among several variants considered, although C–H activation and not C–C coupling turns out to be the rate limiting step. The enantiospecificity of the enzyme seems to be enforced by a thermodynamic preference for binding of fumarate in the pro(R orientation and reverse preference of benzyl radical attack on fumarate in pro(S pathway which results with prohibitively high energy barrier of the radical quenching. Finally, the proposed mechanism agrees with most of the experimental observations, although the calculated intrinsic KIE from the model (6.5 is still higher than the experimentally observed values (4.0 which suggests that both C–H activation and radical quenching may jointly be involved in the kinetic control of the reaction.

Spontaneous water filtration of bio-inspired membrane

Science.gov (United States)

Kim, Kiwoong; Kim, Hyejeong; Lee, Sang Joon

2016-11-01

Water is one of the most important elements for plants, because it is essential for various metabolic activities. Thus, water management systems of vascular plants, such as water collection and water filtration have been optimized through a long history. In this view point, bio-inspired technologies can be developed by mimicking the nature's strategies for the survival of the fittest. However, most of the underlying biophysical features of the optimized water management systems remain unsolved In this study, the biophysical characteristics of water filtration phenomena in the roots of mangrove are experimentally investigated. To understand water-filtration features of the mangrove, the morphological structures of its roots are analyzed. The electrokinetic properties of the root surface are also examined. Based on the quantitatively analyzed information, filtration of sodium ions in the roots are visualized. Motivated by this mechanism, spontaneous desalination mechanism in the root of mangrove is proposed by combining the electrokinetics and hydrodynamic transportation of ions. This study would be helpful for understanding the water-filtration mechanism of the roots of mangrove and developing a new bio-inspired desalination technology. This research was financially supported by the National Research Foundation (NRF) of Korea (Contract Grant Number: 2008-0061991).

Kinetics and Mechanisms of Calcite Reactions with Saline Waters

Energy Technology Data Exchange (ETDEWEB)

Gorman, Brian P [Colorado School of Mines, Golden, CO (United States)

2015-09-02

Project Description: The general objective of the proposed research is to determine the kinetics and mechanisms of calcite reactions with saline waters over a wide range of saline water composition, pCO₂, and modest ranges in T and P. This will be accomplished by studying both reaction rates and solubility from changes in solution chemistry, and making nanoscale observations of calcite precipitate surface morphology and composition at the micro-to-nano-scale to provide an understanding of controlling reaction mechanisms and pathways. The specific objectives necessary to reach the general objective are: a) determination of how pCO₂, Ca²⁺, ionic strength and “foreign” ions influence reaction rates; and b) investigate the influence of these parameters on apparent kinetic solubility from dissolution and precipitation reactions. This information will clearly be central to the construction of reliable reaction-transport models to predict reservoir and formation response to increased CO₂ in saline waters. This program was initially collaborative with John Morse at Texas A&M, however his passing shortly after the beginning of this program resulted in abbreviated research time and effort. Summary of Results: Early studies using electron microscopy and spectroscopy indicated that carbonate precipitation from natural seawater (NSW) conditions onto aragonite substrates was mediated by a surface amorphous calcium carbonate layer. It was hypothesized that this ACC layer (observed after < 5days reaction time) was responsible for the abnormal reaction kinetics and also served as a metastable seed layer for growth of epitaxial aragonite. Further studies of the ACC formation mechanism indicated a strong dependence on the Mg concentration in solution. Subsequent studies at shorter times (10 hrs) on calcite substrates and in a wide range of supersaturation conditions did not indicate any ACC layer. Instead, an epitaxial layer by layer

Mechanical properties of bio self-healing concrete containing immobilized bacteria with iron oxide nanoparticles.

Science.gov (United States)

Seifan, Mostafa; Sarmah, Ajit K; Samani, Ali Khajeh; Ebrahiminezhad, Alireza; Ghasemi, Younes; Berenjian, Aydin

2018-05-01

Concrete is arguably one of the most important and widely used materials in the world, responsible for the majority of the industrial revolution due to its unique properties. However, it is susceptible to cracking under internal and external stresses. The generated cracks result in a significant reduction in the concrete lifespan and an increase in maintenance and repair costs. In recent years, the implementation of bacterial-based healing agent in the concrete matrix has emerged as one of the most promising approaches to address the concrete cracking issue. However, the bacterial cells need to be protected from the high pH content of concrete as well as the exerted shear forces during preparation and hardening stages. To address these issues, we propose the magnetic immobilization of bacteria with iron oxide nanoparticles (IONs). In the present study, the effect of the designed bio-agent on mechanical properties of concrete (compressive strength and drying shrinkage) is investigated. The results indicate that the addition of immobilized Bacillus species with IONs in concrete matrix contributes to increasing the compressive strength. Moreover, the precipitates in the bio-concrete specimen were characterized using scanning electron microscope (SEM), X-ray diffraction (XRD), and energy-dispersive X-ray spectroscopy (EDS). The characterization studies confirm that the precipitated crystals in bio-concrete specimen were CaCO 3 , while no precipitation was observed in the control sample.

Mechanical damage of a cement-based matrix subjected to a bio leaching test

International Nuclear Information System (INIS)

Lajili, H.; Grambin-Lapeyre, C.; Lajili, H.; Devillers, Ph.; Lajili, H.; Degorce-Dumas, J.R.; Roussy, J.; Bournazel, J.P.

2007-01-01

Waste packages are often embedded in concrete containers and placed in storage sites. Cement-based materials due to their favourable physical properties, are commonly used for the solidification and stabilisation of these wastes. Waste repositories can be situated in geological formations where microorganisms capable of degrading cement matrices are present. In such situations, the stability of concrete used in underground repositories for immobilization of nuclear waste may be impaired by Inter alia filamentous fungi. Fungal growth on cement matrices leads to physicochemical and mechanical degradations which considerably affects their durability, thus bio-leaching scenario must be seriously considered. This paper outlines the detrimental impact of Aspergillus niger fungus on the integrity of cement paste and describes the associated mechanisms of biodegradation. (authors)

Linear free energy relationships between aqueous phase hydroxyl radical reaction rate constants and free energy of activation.

Science.gov (United States)

Minakata, Daisuke; Crittenden, John

2011-04-15

The hydroxyl radical (HO(•)) is a strong oxidant that reacts with electron-rich sites on organic compounds and initiates complex radical chain reactions in aqueous phase advanced oxidation processes (AOPs). Computer based kinetic modeling requires a reaction pathway generator and predictions of associated reaction rate constants. Previously, we reported a reaction pathway generator that can enumerate the most important elementary reactions for aliphatic compounds. For the reaction rate constant predictor, we develop linear free energy relationships (LFERs) between aqueous phase literature-reported HO(•) reaction rate constants and theoretically calculated free energies of activation for H-atom abstraction from a C-H bond and HO(•) addition to alkenes. The theoretical method uses ab initio quantum mechanical calculations, Gaussian 1-3, for gas phase reactions and a solvation method, COSMO-RS theory, to estimate the impact of water. Theoretically calculated free energies of activation are found to be within approximately ±3 kcal/mol of experimental values. Considering errors that arise from quantum mechanical calculations and experiments, this should be within the acceptable errors. The established LFERs are used to predict the HO(•) reaction rate constants within a factor of 5 from the experimental values. This approach may be applied to other reaction mechanisms to establish a library of rate constant predictions for kinetic modeling of AOPs.

Advances in quantum and molecular mechanical (QM/MM) simulations for organic and enzymatic reactions.

Science.gov (United States)

Acevedo, Orlando; Jorgensen, William L

2010-01-19

Application of combined quantum and molecular mechanical (QM/MM) methods focuses on predicting activation barriers and the structures of stationary points for organic and enzymatic reactions. Characterization of the factors that stabilize transition structures in solution and in enzyme active sites provides a basis for design and optimization of catalysts. Continued technological advances allowed for expansion from prototypical cases to mechanistic studies featuring detailed enzyme and condensed-phase environments with full integration of the QM calculations and configurational sampling. This required improved algorithms featuring fast QM methods, advances in computing changes in free energies including free-energy perturbation (FEP) calculations, and enhanced configurational sampling. In particular, the present Account highlights development of the PDDG/PM3 semi-empirical QM method, computation of multi-dimensional potentials of mean force (PMF), incorporation of on-the-fly QM in Monte Carlo (MC) simulations, and a polynomial quadrature method for efficient modeling of proton-transfer reactions. The utility of this QM/MM/MC/FEP methodology is illustrated for a variety of organic reactions including substitution, decarboxylation, elimination, and pericyclic reactions. A comparison to experimental kinetic results on medium effects has verified the accuracy of the QM/MM approach in the full range of solvents from hydrocarbons to water to ionic liquids. Corresponding results from ab initio and density functional theory (DFT) methods with continuum-based treatments of solvation reveal deficiencies, particularly for protic solvents. Also summarized in this Account are three specific QM/MM applications to biomolecular systems: (1) a recent study that clarified the mechanism for the reaction of 2-pyrone derivatives catalyzed by macrophomate synthase as a tandem Michael-aldol sequence rather than a Diels-Alder reaction, (2) elucidation of the mechanism of action of fatty

Oxygen plasma etching of graphene: A first-principles dynamical inspection of the reaction mechanisms and related activation barriers

Science.gov (United States)

Koizumi, Kenichi; Boero, Mauro; Shigeta, Yasuteru; Oshiyama, Atsushi; Dept. of Applied Physics Team; Institute of Physics and Chemistry of Strasbourg (IPCMS) Collaboration; Department Of Materials Engineering Science Collaboration

2013-03-01

Oxygen plasma etching is a crucial step in the fabrication of electronic circuits and has recently received a renovated interest in view of the realization of carbon-based nanodevices. In an attempt at unraveling the atomic-scale details and to provide guidelines for the control of the etching processes mechanisms, we inspected the possible reaction pathways via reactive first principles simulations. These processes involve breaking and formation of several chemical bonds and are characterized by different free-energy barriers. Free-energy sampling techniques (metadynamics and blue moon), used to enhance the standard Car-Parrinello molecular dynamics, provide us a detailed microscopic picture of the etching of graphene surfaces and a comprehensive scenario of the activation barriers involved in the various steps. MEXT, Japan - contract N. 22104005

Generic Model-Based Tailor-Made Design and Analysis of Biphasic Reaction Systems

DEFF Research Database (Denmark)

Anantpinijwatna, Amata

systems have a broad range of application, such as the manufacture of petroleum based chemicals, pharmaceuticals, and agro-bio products. Major considerations in the design and analysis of biphasic reaction systems are physical and chemical equilibria, kinetic mechanisms, and reaction rates. The primary...... contribution of this thesis is the development of a systematic modelling framework for the biphasic reaction system. The developed framework consists of three modules describing phase equilibria, reactions and mass transfer, and material balances of such processes. Correlative and predictive thermodynamic......Biphasic reaction systems are composed of immiscible aqueous and organic liquid phases where reactants, products, and catalysts are partitioned. These biphasic conditions point to novel synthesis paths, higher yields, and faster reactions, as well as facilitate product separation. The biphasic...

Production of Hydrogen from Bio-ethanol

International Nuclear Information System (INIS)

Fabrice Giroudiere; Christophe Boyer; Stephane His; Robert Sanger; Kishore Doshi; Jijun Xu

2006-01-01

IFP and HyRadix are collaborating in the development of a new hydrogen production system from liquid feedstock such as bio-ethanol. Reducing greenhouse gas (GHG) emissions along with high hydrogen yield are the key objectives. Market application of the system will be hydrogen refueling stations as well as medium scale hydrogen consumers including the electronics, metals processing, and oils hydrogenation industries. The conversion of bio-ethanol to hydrogen will be performed within a co-developed process including an auto-thermal reformer working under pressure. The technology will produce high-purity hydrogen with ultralow CO content. The catalytic auto-thermal reforming technology combines the exothermic and endothermic reaction and leads to a highly efficient heat integration. The development strategy to reach a high hydrogen yield target with the bio-ethanol hydrogen generator is presented. (authors)

New mechanism of spiral wave initiation in a reaction-diffusion-mechanics system.

Directory of Open Access Journals (Sweden)

Louis D Weise

Full Text Available Spiral wave initiation in the heart muscle is a mechanism for the onset of dangerous cardiac arrhythmias. A standard protocol for spiral wave initiation is the application of a stimulus in the refractory tail of a propagating excitation wave, a region that we call the "classical vulnerable zone." Previous studies of vulnerability to spiral wave initiation did not take the influence of deformation into account, which has been shown to have a substantial effect on the excitation process of cardiomyocytes via the mechano-electrical feedback phenomenon. In this work we study the effect of deformation on the vulnerability of excitable media in a discrete reaction-diffusion-mechanics (dRDM model. The dRDM model combines FitzHugh-Nagumo type equations for cardiac excitation with a discrete mechanical description of a finite-elastic isotropic material (Seth material to model cardiac excitation-contraction coupling and stretch activated depolarizing current. We show that deformation alters the "classical," and forms a new vulnerable zone at longer coupling intervals. This mechanically caused vulnerable zone results in a new mechanism of spiral wave initiation, where unidirectional conduction block and rotation directions of the consequently initiated spiral waves are opposite compared to the mechanism of spiral wave initiation due to the "classical vulnerable zone." We show that this new mechanism of spiral wave initiation can naturally occur in situations that involve wave fronts with curvature, and discuss its relation to supernormal excitability of cardiac tissue. The concept of mechanically induced vulnerability may lead to a better understanding about the onset of dangerous heart arrhythmias via mechano-electrical feedback.

Catalytic cracking of crude bio-oil from glycerol-assisted liquefaction of swine manure

International Nuclear Information System (INIS)

Cheng, Dan; Wang, Lijun; Shahbazi, Abolghasem; Xiu, Shuangning; Zhang, Bo

2014-01-01

Highlights: • Bio-oil from glycerol-assisted liquefaction of swine manure was cracked over zeolite. • 30-Min cracking on 5% catalyst at 400 °C yielded 46.1% bio-oil with 62.5% recovered energy. • 30-Min cracking on 5% catalyst at 400 °C removed 55.74% oxygen in the crude bio-oil. • The heating value and viscosity of the upgraded bio-oil were 41.4 MJ/kg and 3.6 cP. • Long chain acid methyl esters were cracked into alkanes, alkenes and short chain esters. - Abstract: The crude bio-oil produced from the glycerol-assisted liquefaction of swine manure which had large amount of long chain esters, was upgraded by thermal cracking over a modified zeolite catalyst. The effects of thermal cracking temperature (350–425 °C), reaction time (15–60 min) and catalyst loading (0–10 wt%) on the yield and quality of the upgraded oil were analyzed. The yield of upgraded bio-oil decreased with the increase of reaction temperature, reaction time and catalyst loading, but the viscosity, heating value and composition of the upgraded bio-oil became more desirable. Taking into the consideration both the yield and quality of the upgraded bio-oil, the optimal thermal cracking could be achieved over 5 wt% catalyst at 400 °C for 30 min. Under this condition, the yield of upgraded bio-oil was 46.14 wt% of the crude bio-oil, and 62.5% of the energy stored in the crude bio-oil was recovered. The oxygen content of the upgraded bio-oil was 15.04%, which was less than half of the original value of 33.98%. The viscosity of the upgraded bio-oil was 3.6 cP, compared with 188.9 cP for the crude bio-oil. The heating value of the upgraded bio-oil was 41.4 MJ/kg, compared with 30.54 MJ/kg for the crude bio-oil. Both the viscosity and heating value of the upgraded bio-oil were comparable to those of commercial diesel. The GC–MS analysis showed that the catalytic upgrading resulted in the increased cracking of long-chain acid methyl esters (such as hexadecanoic acid methyl ester

Mechanism of catalytic action of oxide systems in reactions of aldehyde oxidation to carboxylic acids

International Nuclear Information System (INIS)

Andrushkevich, T.V.

1997-01-01

Mechanism of selective action of oxide catalysts (on the base of V 2 O 4 , MoO 3 ) of aldehyde oxidation to acids is considered, reaction acrolein oxidation to acrylic acid is taken as an example. Multistage mechanism of the process is established; it involves consequent transformation of coordination-bonded aldehyde into carbonyl-bonded aldehyde and symmetric carboxylate. Principles of active surface construction are formulated, they take into account the activity of stabilization center of concrete intermediate compound and bond energy of oxygen with surface. (author)

Chitosan: An undisputed bio-fabrication material for tissue engineering and bio-sensing applications.

Science.gov (United States)

Baranwal, Anupriya; Kumar, Ashutosh; Priyadharshini, A; Oggu, Gopi Suresh; Bhatnagar, Ira; Srivastava, Ananya; Chandra, Pranjal

2018-04-15

Biopolymers have been serving the mankind in various ways since long. Over the last few years, these polymers have found great demand in various domains which includes bio medicine, tissue engineering, bio sensor fabrications etc. because of their excellent bio compatibility. In this context, chitosan has found global attention due to its environmentally benign nature, biocompatibility, biodegradability, and ease of availability. In last one decade or so, extensive research in active biomaterials, like chitosan has led to the development of novel delivery systems for drugs, genes, and biomolecules; and regenerative medicine. Additionally, chitosan has also witnessed its usage in functionalization of biocompatible materials, nanoparticle (NP) synthesis, and immobilization of various bio-recognition elements (BREs) to form active bio-surfaces with great ease. Keeping these aspects in mind, we have written a comprehensive review which aims to acquaint its readers with the exceptional properties of chitosan and its usage in the domain of biomedicine, tissue engineering, and biosensor fabrication. Herein, we have briefly explained various aspects of direct utilization of chitosan and then presented vivid strategies towards formulation of chitosan based nanocomposites for biomedicine, tissue engineering, and biosensing applications. Copyright © 2018 Elsevier B.V. All rights reserved.

[Effects and mechanisms of the inflammatory reaction related to NASH and induced by activation of the cholinergic anti-inflammatory pathway].

Science.gov (United States)

Zhou, Zhou; Chen, Xiaomei; Li, Fuqiang; Tang, Cuilan

2015-01-01

To investigate the effects and mechanisms of the inflammatory reaction related to nonalcoholic steatohepatitis (NASH) and induced by activation of the cholinergic anti-inflammatory pathway. A mouse model of NASH was established by feeding a high-fat and high-sugar diet.Activation of the cholinergic anti-inflammatory pathway was achieved by nicotine administration to the NASH modeled mice and normal controls. Liver biopsies were taken and the concentrations of cytokines were measured. Isolated liver primary Kupffer cells and RAw264.7 cells were cultured, pre-treated or not with lipopolysaccharide (LPS) and exposed to nicotine, after which the supernatant concentrations of IL-6 and TNFa were determined by ELISA. The protein expression levels of phosphorylated (p)-NF-kB and I k B were detected in primary cultured Kupffer cells by western blotting. The mouse model of NASH was successfully established, as evidenced by findings from liver biopsy and serum liver function tests. The degree of liver inflammation in the NASH mice decreased after nicotine administration, and the level of serum TNFa also significantly decreased. The levels of serum TNFa were 21.95+/-0.8 pg/mL in nicotine-treated mice and 38.07+/-1.7 pg/mL in the non-nicotine-treated NASH mice (P less than 0.05). The nicotine treatment also significantly reduced the concentration of TNFa in the culture supernatants of Kupffer cells after LPS stimulation; moreover, the supernatant level of TNFa decreased significantly after the nicotine treatment (Pless than 0.05). LPS stimulation of the RAw264.7 cells led to an increased level ofp-NF-kB and a reduced level ofI-kB, suggesting that the NF-kB pathway had been activated; different doses of nicotine pre-treatment led to down-regulation of the p-NF-kB level and up-regulation of the I-kB level, both in dose-dependent manners. Activating the cholinergic anti-inflammatory pathway inhibits the NASH-related inflammatory reaction, and the mechanism for this inhibition

Removal Mechanisms of Para-nitrophenol in Reclaimed Water using SAT and its Bio-enhancement

Science.gov (United States)

Wen, Y. L.; Yang, Y.; Zhang, H.; Lou, B.

2017-12-01

Nowadays, we were facing with water resource shortage along with water pollution. It was important to undertake the cost effective technology to treat polluted water whilst encourage water reuse. Soil aquifer treatment (SAT) was an efficient technology, using the infiltration process of mediation, adsorption and biodegradation on the pollutants in the environment to achieve the goal of recycling water. For a better understanding of the transport and attenuation of para-nitrophenol (P-NP) and the change of microbial community at the stress of p-nitrophenol in soil aquifer treatment system, two column experiments were operated to investigate the physical, chemical, and microbial dynamics. At the same time, the bio-augment method was used to enhance the SAT biodegradation system. The SAT column experiment was operated about 38 days, which demonstrated that two reduction zones were revealed at the middle of the column and the biodiversity of the microbial community could be destroyed under the P-NP stress. Absorption was the main removal mechanism according to the obtained experimental data. By using the displacement method, the BIO-SAT system was operated about 36 days, which showed perfect outcome for the P-NP removal at a higher concentration. From the PCR-DGGE and high throughput sequencing study, enhanced bacteria could form a stable biological community with indigenous communities. Through the Canonical Correspondence Analysis (CCA) microbial degradation and environmental factors, the results showed that the pH was a very important parameter affects the degradation of nitrophenol degradation bacteria. The metal ions under the condition of low concentration can promote the growth of microbial degradation. This study provide valuable result on the attenuation potential of for the bio-enhanced SAT system (BIO-SAT). (No Image Selected)

The mechanism of the photoluminescence changes in bio-conjugated CdSe/ZnS quantum dots

Science.gov (United States)

Borkovska, L.; Korsunska, N.; Stara, T.; Kolomys, O.; Strelchuk, V.; Rachkov, O.; Kryshtab, T.

2013-09-01

The change of the photoluminescence (PL) and optical characteristics in non-conjugated and conjugated with S6K2 antibody CdSe/ZnS core/shell quantum dots (QDs) during storage in air has been studied by the conventional PL, micro-PL and micro-Raman techniques. The QDs dried on a crystalline Si substrate were kept in the darkness and under illumination. In the PL spectra, the storage resulted in a blue shift of PL peak position, in the increasing of the full width at a half maximum (FWHM) of the PL band and in the decreasing of the PL intensity. In the Raman spectra, the shift of the CdSe LO peak position to the low frequency region and the increasing of its FWHM were observed. The transformations in the PL and optical characteristics correlate with each other and are found to be the largest in bio-conjugated QDs stored under illumination. The increase of the light intensity accelerated the changes occurred during storage. An oxidation of the QD core, which decreases the QD size, is supposed to be responsible for observed transformations. The bio-conjugation is assumed to promote QD oxidation that results in different PL peak position in stored non-conjugated and bio-conjugated QDs. The mechanism of the effect is discussed.

Theoretical Research on the Mechanism of the Dimerization Reactions of Alkyl Ketene

Directory of Open Access Journals (Sweden)

Zhiguo Zhang

2013-01-01

Full Text Available A quantum chemical method was employed to investigate the mechanism of dimerization reactions of alkyl ketene. All the geometric configurations of the stationary points on the reactions path were optimized with Gaussian03 employing density functional theory at the B3LYP/6-311G++(d, p level by energy gradient technique. The transition states were also investigated through synchronous transit method, and its reasonability was confirmed by using frequency analysis and intrinsic reaction coordinate analysis. The results can be summed up as follows: according to the frontier orbital theory, the dimerization reaction (3 to generate four-membered carbon cyclic product P3 is forbidden. Two different dimerization processes of alkyl ketene are all concerted but nonsynchronous, taking place through twisted four-membered cyclic transition states. The activation energies were calculated to be 34.54 and 61.73 kJ/mol, respectively for the two ketene dimerization processes. Calculation results satisfactorily explained the experimental facts.

Antiradical and antioxidant activities of new bio-antioxidants.

Science.gov (United States)

Kancheva, V D; Saso, L; Angelova, S E; Foti, M C; Slavova-Kasakova, A; Daquino, C; Enchev, V; Firuzi, O; Nechev, J

2012-02-01

Antioxidants could be promising agents for management of oxidative stress-related diseases. New biologically active compounds, belonging to a rare class of natural lignans with antiangiogenic, antitumoral and DNA intercalating properties, have been recently synthesized. These compounds are benzo[kl]xanthene lignans (1,2) and dihydrobenzofuran neolignans (3,4). The radical scavenging and chain-breaking antioxidant activities of compounds 1-4 were studied by applying different methods: radical scavenging activity by DPPH rapid test, chain-breaking antioxidant activity and quantum chemical calculations. All studied compounds were found to be active as DPPH scavengers but reaction time with DPPH and compounds' concentrations influenced deeply the evaluation. The highest values of radical scavenging activity (%RSAmax) and largest rate constants for reaction with DPPH were obtained for compounds 2 and 3. Comparison of %RSAmax with that of standard antioxidants DL-α-tocopherol (TOH), caffeic acid (CA) and butylated hydroxyl toluene (BHT) give the following new order of %RSA max: TOH (61.1%) > CA (58.6%) > 3 (36.3%) > 2 (28.1%) > 4 (6.7%) > 1 (3.6%) = BHT (3.6%). Chain-breaking antioxidant activities of individual compounds (0.1-1.0 mM) and of their equimolar binary mixtures (0.1 mM) with TOH were determined from the kinetic curves of lipid autoxidation at 80 °C. On the basis of a comparable kinetic analysis with standard antioxidants a new order of the antioxidant efficiency (i.e., protection factor, PF) of compounds 1-4 were obtained: 2 (7.2) ≥ TOH (7.0) ≥ CA (6.7) > 1 (3.1) > 3 (2.2) > ferulic acid FA (1.5) > 4 (0.6); and of the antioxidant reactivity (i.e. inhibition degree, ID): 2 (44.0) > TOH (18.7) > CA (9.3) > 1 (8.4) > 3 (2.8) > FA (1.0) > 4 (0.9). The important role of the catecholic structure in these compounds, which is responsible for the high chain-breaking antioxidant activity, is discussed and a reaction

Bambusa vulgaris : determination of mechanical strength as bio ...

African Journals Online (AJOL)

composite material. The manufactured bio-composite was made from combinations of two materials, which are bamboo scientifically named as Bambusa Vulgaris and a polymer named HDPE. The main objective of this paper is to expose the ...

Unified mechanism of alkali and alkaline earth catalyzed gasification reactions of carbon by CO2 and H2O

Science.gov (United States)

Chen, S.G.; Yang, R.T.

1997-01-01

From molecular orbital calculations, a unified mechanism is proposed for the gasification reactions of graphite by CO2 and H2O, both uncatalyzed and catalyzed by alkali and alkaline earth catalysts. In this mechanism, there are two types of oxygen intermediates that are bonded to the active edge carbon atoms: an in-plane semiquinone type, Cf(O), and an off-plane oxygen bonded to two saturated carbon atoms that are adjacent to the semiquinone species, C(O)Cf(O). The rate-limiting step is the decomposition of these intermediates by breaking the C-C bonds that are connected to Cf(O). A new rate equation is derived for the uncatalyzed reactions, and that for the catalyzed reactions is readily available from the proposed mechanism. The proposed mechanism can account for several unresolved experimental observations: TPD and TK (transient kinetics) desorption results of the catalyzed systems, the similar activation energies for the uncatalyzed and catalyzed reactions, and the relative activities of the alkali and alkaline earth elements. The net charge of the edge carbon active site is substantially changed by gaining electron density from the alkali or alkaline earth element (by forming C-O-M, where M stands for metal). The relative catalytic activities of these elements can be correlated with their abilities of donating electrons and changing the net charge of the edge carbon atom. As shown previously (Chen, S. G.; Yang, R. T. J. Catal. 1993, 141, 102), only clusters of the alkali compounds are active. This derives from the ability of the clusters to dissociate CO2 and H2O to form O atoms and the mobility of the dissociated O atoms facilitated by the clusters.

EcAMSat and BioSentinel: Autonomous Bio Nanosatellites Addressing Strategic Knowledge Gaps for Manned Spaceflight Beyond LEO

Science.gov (United States)

Padgen, Mike

2017-01-01

Manned missions beyond low Earth orbit (LEO) require that several strategic knowledge gaps about the effects of space travel on the human body be addressed. NASA Ames Research Center has been the leader in developing autonomous bio nanosatellites, including past successful missions for GeneSat, PharmaSat, and OOREOS, that tackled some of these issues. These nanosatellites provide in situ measurements, which deliver insight into the dynamic changes in cell behavior in microgravity. In this talk, two upcoming bio nanosatellites developed at Ames, the E. coli Antimicrobial Satellite (EcAMSat) and BioSentinel, will be discussed. Both satellites contain microfluidic systems that precisely deliver nutrients to the microorganisms stored within wells of fluidic cards. Each well, in turn, has its own 3-color LED and detector system which is used to monitor changes in metabolic activity with alamarBlue, a redox indicator, and the optical density of the cells. EcAMSat investigates the effects of microgravity on bacterial resistance to antimicrobial drugs, vital knowledge for understanding how to maintain the health of astronauts in long-term and beyond LEO spaceflight. The behavior of wild type and mutant uropathic E. coli will be compared in microgravity and with ground data to help understand the molecular mechanisms behind antibiotic resistance and how these phenotypes might change in space. BioSentinel seeks to directly measure the effects of space radiation on budding yeast S. cerevisiae, particularly double strand breaks (DSB). While hitching a ride on the SLS EM-1 mission (Orions first unmanned mission to the moon) in 2018, BioSentinel will be kicked off and enter into a heliocentric orbit, becoming the first study of the effects of radiation on living organisms outside LEO since the Apollo program. The yeast are stored in eighteen independent 16-well microfluidic cards, which will be individually activated over the 12 month mission duration. In addition to the wild

Introduction to chemical reaction engineering

International Nuclear Information System (INIS)

Kim, Yeong Geol

1990-10-01

This deals with chemical reaction engineering with thirteen chapters. The contents of this book are introduction on reaction engineering, chemical kinetics, thermodynamics and chemical reaction, abnormal reactor, non-isothermal reactor, nonideal reactor, catalysis in nonuniform system, diffusion and reaction in porosity catalyst, design catalyst heterogeneous reactor in solid bed, a high molecule polymerization, bio reaction engineering, reaction engineering in material process, control multi-variable reactor process using digital computer.

Hydrodeoxygenation of prairie cordgrass bio-oil over Ni based activated carbon synergistic catalysts combined with different metals.

Science.gov (United States)

Cheng, Shouyun; Wei, Lin; Zhao, Xianhui; Kadis, Ethan; Cao, Yuhe; Julson, James; Gu, Zhengrong

2016-06-25

Bio-oil can be upgraded through hydrodeoxygenation (HDO). Low-cost and effective catalysts are crucial for the HDO process. In this study, four inexpensive combinations of Ni based activated carbon synergistic catalysts including Ni/AC, Ni-Fe/AC, Ni-Mo/AC and Ni-Cu/AC were evaluated for HDO of prairie cordgrass (PCG) bio-oil. The tests were carried out in the autoclave under mild operating conditions with 500psig of H2 pressure and 350°C temperature. The catalysts were characterized by X-ray diffraction (XRD), Brunauer-Emmett-Teller (BET) and transmission electron microscope (TEM). The results show that all synergistic catalysts had significant improvements on the physicochemical properties (water content, pH, oxygen content, higher heating value and chemical compositions) of the upgraded PCG bio-oil. The higher heating value of the upgraded bio-oil (ranging from 29.65MJ/kg to 31.61MJ/kg) improved significantly in comparison with the raw bio-oil (11.33MJ/kg), while the oxygen content reduced to only 21.70-25.88% from 68.81% of the raw bio-oil. Compared to raw bio-oil (8.78% hydrocarbons and no alkyl-phenols), the Ni/AC catalysts produced the highest content of gasoline range hydrocarbons (C6-C12) at 32.63% in the upgraded bio-oil, while Ni-Mo/AC generated the upgraded bio-oil with the highest content of gasoline blending alkyl-phenols at 38.41%. Copyright © 2016 Elsevier B.V. All rights reserved.

Mechanism of degradation and discoloration reaction of L-ascorbic acid

International Nuclear Information System (INIS)

Kurata, Tadao

1976-01-01

The mechanisms of decomposition and coloration reaction of L-ascorbic acid are reviewed. At the initial stage of the decomposition, it can be classified roughly into oxidative and non-oxidative processes of decomposition. ASA forms furfural by being heated and decomposed in strong acid. The mechanism of the production of furfural at varying pH in acidic region was discussed. Furfural was produced through the enol form of 3-deoxy-L-pentosulose(3DP). 3DP seemed to be produced by two different routes: the one route consists of successive reactions from ASA through lactone ring-opening, dehydration, decarboxylation, to 3DP, and the other consists of reactions from the 3-keto form of ASA, through lactone ring-opening, decarboxylation, and dehydration, to the enol form of 3DP. ASA is easily reduced and decomposed through dehydro-ASA(DHA) by the presence of an oxidizing agent. The decomposition of DHA is discussed in cases of the systems of DHA alone, DHA and α-aminoacid, and DHA and amine. DHA was decomposed by the same reaction scheme as the decomposition of ASA and yielded 2-furoic acid. In the presence of an amino acid, DHA was decomposed by the Strecker decomposition, and yielded a red compound and a radical. In the presence of an amine, the discoloration reaction seemed to take place through radical reaction mechanism. The coloration reaction of ASA occurs in an acidic medium, and is accelerated by the oxidative process of decomposition. (Nishino, S.)

Organocatalytic Michael and Friedel–Crafts reactions in enantioselective synthesis of biologically active compounds

International Nuclear Information System (INIS)

Maltsev, O V; Beletskaya, Irina P; Zlotin, Sergei G

2011-01-01

Recent applications of organocatalytic Michael and Friedel–Crafts reactions in enantioselective synthesis of biologically active compounds: natural products, pharmaceutical agents and plant protection agents are reviewed. The key mechanisms of stereoinduction, types of organocatalysts and reagents used in these reactions are considered. The material is classified according to the type of newly formed bonds incorporating the asymmetric carbon atom, and the information for the most numerous C–C coupling reactions is systematized according to the natures of the electrophile and the nucleophile. The bibliography includes 433 references.

Fabrication, modification and application of (BiO)_2CO_3-based photocatalysts: A review

International Nuclear Information System (INIS)

Ni, Zilin; Sun, Yanjuan; Zhang, Yuxin; Dong, Fan

2016-01-01

Graphical abstract: - Highlights: • The (BiO)_2CO_3 with Aurivillius structure y is an emergent material. • Synthesis of (BiO)_2CO_3 micro/nano structures was reviewed. • The mechanisms of (BiO)_2CO_3 based nanocomposites were discussed. • Doping (BiO)_2CO_3 with nonmetals for enhanced activity was highlighted. • Multi-functional applications of (BiO)_2CO_3 based derivatives was demonstrated. - Abstract: (BiO)_2CO_3 (BOC), a fascinating material, belongs to the Aurivillius-related oxide family with an intergrowth texture in which Bi_2O_2"2"+ layers and CO_3"2"− layers are orthogonal to each other. BOC is a suitable candidate for various fields, such as healthcare, photocatalysis, humidity sensor, nonlinear optical application and supercapacitors. Recently, the photocatalysis properties of (BiO)_2CO_3 have been gained increased attention. BOC has a wide band gap (3.1–3.5 eV), which constrains its visible light absorption and utilization. In order to enhance the visible light driven photocatalytic performance of BOC, many modification strategies have been developed. According to the discrepancies of different coupling mechanisms, six primary systems of BOC-based nanocomposites can be classified and summarized: namely, metal/BOC heterojunction, single metal oxides (metal sulfides)/BOC heterostructure, bismuth-based metallic acid salts (Bi_xMO_y)/BOC, bismuth oxyhalides (BiOX)/BOC, metal-free semiconductor/BOC and the BOC-based complex heterojunction. Doping BOC with nonmetals (C, N and oxygen vacancy) is unique strategy and warrants a separate categorization. In this review, we first give a detailed description of the strategies to fabricate various BOC micro/nano structures. Next, the mechanisms of photocatalytic activity enhancement are elaborated in three parts, including BOC-based nanocomposites, nonmetal doping and formation of oxygen vacancy. The enhanced photocatalytic activity of BOC-based systems can be attributed to the unique interaction of

Bio F1B hamster: a unique animal model with reduced lipoprotein lipase activity to investigate nutrient mediated regulation of lipoprotein metabolism

Directory of Open Access Journals (Sweden)

Cornish Marion L

2007-12-01

Full Text Available Abstract Background Bio F1B hamster is an inbred hybrid strain that is highly susceptible to diet-induced atherosclerosis. We previously reported that feeding a high fat fish oil diet to Bio F1B hamster caused severe hyperlipidaemia. In this study we compared the effects of various diets in the Bio F1B hamster and the Golden Syrian hamster, which is an outbred hamster strain to investigate whether genetic background plays an important role in dietary fat mediated regulation of lipoprotein metabolism. We further investigated the mechanisms behind diet-induced hyperlipidaemia in F1B hamster. Methods The Bio F1B and Golden Syrian hamsters, 8 weeks old, were fed high fat diets rich in either monounsaturated fatty acids, an n-6: n-3 ratio of 5 or a fish oil diet for 4 weeks. Animals were fasted overnight and blood and tissue samples were collected. Plasma was fractionated into various lipoprotein fractions and assayed for triacylglycerol and cholesterol concentrations. Plasma lipoprotein lipase activity was measured using radioisotope method. Microsomal triglyceride transfer protein activity was measured in the liver and intestine. Plasma apolipoproteinB48, -B100 and apolipoprotein E was measured using Western blots. Two-way ANOVA was used to determine the effect of diet type and animal strain. Results The fish oil fed F1B hamsters showed milky plasma after a 14-hour fast. Fish oil feeding caused accumulation of apolipoproteinB48 containing lipoprotein particles suggesting hindrance of triglyceride-rich lipoprotein clearance. There was no significant effect of diet or strain on hepatic or intestinal microsomal triglyceride transfer protein activity indicating that hyperlipidaemia is not due to an increase in the assembly or secretion of lipoprotein particles. F1B hamsters showed significantly reduced levels of lipoprotein lipase activity, which was inhibited by fish oil feeding. Conclusion Evidence is presented for the first time that alterations in

A Systems Approach to Bio-Oil Stabilization - Final Technical Report

Energy Technology Data Exchange (ETDEWEB)

Brown, Robert C; Meyer, Terrence; Fox, Rodney; Submramaniam, Shankar; Shanks, Brent; Smith, Ryan G

2011-12-23

The objective of this project is to develop practical, cost effective methods for stabilizing biomass-derived fast pyrolysis oil for at least six months of storage under ambient conditions. The U.S. Department of Energy has targeted three strategies for stabilizing bio-oils: (1) reducing the oxygen content of the organic compounds comprising pyrolysis oil; (2) removal of carboxylic acid groups such that the total acid number (TAN) of the pyrolysis oil is dramatically reduced; and (3) reducing the charcoal content, which contains alkali metals known to catalyze reactions that increase the viscosity of bio-oil. Alkali and alkaline earth metals (AAEM), are known to catalyze decomposition reactions of biomass carbohydrates to produce light oxygenates that destabilize the resulting bio-oil. Methods envisioned to prevent the AAEM from reaction with the biomass carbohydrates include washing the AAEM out of the biomass with water or dilute acid or infusing an acid catalyst to passivate the AAEM. Infusion of acids into the feedstock to convert all of the AAEM to salts which are stable at pyrolysis temperatures proved to be a much more economically feasible process. Our results from pyrolyzing acid infused biomass showed increases in the yield of anhydrosugars by greater than 300% while greatly reducing the yield of light oxygenates that are known to destabilize bio-oil. Particulate matter can interfere with combustion or catalytic processing of either syngas or bio-oil. It also is thought to catalyze the polymerization of bio-oil, which increases the viscosity of bio-oil over time. High temperature bag houses, ceramic candle filters, and moving bed granular filters have been variously suggested for syngas cleaning at elevated temperatures. High temperature filtration of bio-oil vapors has also been suggested by the National Renewable Energy Laboratory although there remain technical challenges to this approach. The fast pyrolysis of biomass yields three main organic

Reaction mechanisms in cellulose pyrolysis: a literature review

Energy Technology Data Exchange (ETDEWEB)

Molton, P.M.; Demmitt, T.F.

1977-08-01

A bibliographic review of 195 references is presented outlining the history of the research into the mechanisms of cellulose pyrolysis. Topics discussed are: initial product identification, mechanism of initial formation of levoglucosan, from cellulose and from related compounds, decomposition of cellulose to other compounds, formation of aromatics, pyrolysis of levoglucosan, crosslinking of cellulose, pyrolytic reactions of cellulose derivatives, and the effects of inorganic salts on the pyrolysis mechanism. (JSR)

[The mechanism of phenoptosis: I. Age-dependent decrease of the overall rate of protein synthesis is caused by the programmed attenuation of bio-energetics].

Science.gov (United States)

Trubitsyn, A G

2009-01-01

The age-dependent degradation of all vital processes of an organism can be result of influences of destructive factors (the stochastic mechanism of aging), or effect of realizations of the genetic program (phenoptosis). The stochastic free-radical theory of aging dominating now contradicts the set of empirical data, and the semicentenial attempts to create the means to slow down aging did not give any practical results. It makes obvious that the stochastic mechanism of aging is incorrect. At the same time, the alternative mechanism of the programmed aging is not developed yet but preconditions for it development have already been created. It is shown that the genes controlling process of aging exist (contrary to the customary opinion) and the increase in the level of damaged macromolecules (basic postulate of the free-radical theory) can be explained by programmed attenuation of bio-energetics. As the bio-energetics is a driving force of all vital processes, decrease of its level is capable to cause degradation of all functions of an organism. However to transform this postulate into a basis of the theory of phenoptosis it is necessary to show, that attenuation of bio-energetics predetermines such fundamental processes accompanying aging as decrease of the overall rate of protein biosynthesis, restriction of cellular proliferations (Hayflick limit), loss of telomeres etc. This article is the first step in this direction: the natural mechanism of interaction of overall rate of protein synthesis with a level of cellular bio-energetics is shown. This is built-in into the translation machine and based on dependence of recirculation rate of eukaryotic initiation factor 2 (elF2) from ATP/ADP value that is created by mitochondrial bio-energetic machine.

Mechanically activated synthesis of PZT and its electromechanical properties

Energy Technology Data Exchange (ETDEWEB)

Liu, X.; Akdogan, E.K.; Safari, A.; Riman, R.E. [Rutgers the State University of New Jersey, Department of Ceramic and Materials Engineering, Piscataway, NJ (United States)

2005-08-01

Mechanical activation was successfully used to synthesize nanostructured phase-pure Pb(Zr{sub 0.7}Ti{sub 0.3})O{sub 3} (PZT) powders. Lead-zirconium-titanium (PbZrTi) hydrous oxide precursor, synthesized from chemical co-precipitation, was mechanically activated in a NaCl matrix. The synthesized PZT particles were characterized by using X-ray diffraction, field-emission scanning electron microscopy, transmission electron microscopy, laser-light diffraction, and nitrogen adsorption. Thermogravimetric analysis and differential thermal analysis were used to monitor dehydration and phase transformation of PbZrTi hydrous oxide precursor during mechanical activation. The best mechanical activation conditions corresponded to mechanically activating PbZrTi hydrous oxide precursor in a NaCl matrix with a NaCl/precursor weight ratio of 4:1 for 8 h. These conditions resulted in a dispersible phase-pure PZT powder with a median secondary-particle size of {proportional_to}110 nm. The properties of PZT 70/30 from mechanically activated powder, as measured on discs sintered at 1150 C for 2 h, were found to be in close conformity to those obtained by a conventional mixed oxide solid state reaction route. (orig.)

Mechanically activated synthesis of PZT and its electromechanical properties

Science.gov (United States)

Liu, X.; Akdogan, E. K.; Safari, A.; Riman, R. E.

2005-08-01

Mechanical activation was successfully used to synthesize nanostructured phase-pure Pb(Zr0.7Ti0.3)O3 (PZT) powders. Lead zirconium titanium (PbZrTi) hydrous oxide precursor, synthesized from chemical co-precipitation, was mechanically activated in a NaCl matrix. The synthesized PZT particles were characterized by using X-ray diffraction, field-emission scanning electron microscopy, transmission electron microscopy, laser-light diffraction, and nitrogen adsorption. Thermogravimetric analysis and differential thermal analysis were used to monitor dehydration and phase transformation of PbZrTi hydrous oxide precursor during mechanical activation. The best mechanical activation conditions corresponded to mechanically activating PbZrTi hydrous oxide precursor in a NaCl matrix with a NaCl/precursor weight ratio of 4:1 for 8 h. These conditions resulted in a dispersible phase-pure PZT powder with a median secondary-particle size of ˜110 nm. The properties of PZT 70/30 from mechanically activated powder, as measured on discs sintered at 1150 °C for 2 h, were found to be in close conformity to those obtained by a conventional mixed oxide solid state reaction route.

Project in fiscal 1988 for research and development of basic technologies in next generation industries. Achievement report on research and development of bio-reactors; 1988 nendo bio reactor no kenkyu kaihatsu seika hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

1989-03-01

Research and development has been performed on bio-reactors to substitute the oxidizing reaction process, and on reduction reacting bio-reactors to fix the coenzyme regeneration system. This paper summarizes the achievements in fiscal 1988. In the research of a bio-reactor using bacteria that produce muconic acid from benzoic acid, stable productivity of 60 g/L/day or more was obtained. In the research of a multi-phase based bio-reactor composed of air, oil, water and biomass, discussions were given on the phase inverting film permeation type reactor. In the research of a bio-reactor to produce acetic acid from carbon dioxide and hydrogen, productivity of 149 g/L/day as maximum was achieved by enhancing the production speed by means of pressurization. In the research of a bio-reactor to produce hydroquinone from phenol, up-keeping the duration for 100 hours or longer has become possible at the hydroquinone production speed of 3 g/L/h. In the research of a reduction-based bio-reactor incorporating the regeneration system of coenzyme NAD(P)H, discussions were given on optimizing the continuous enzymatic reaction in the production of sorbitol. (NEDO)

Bio energy: Bio fuel - Properties and Production

International Nuclear Information System (INIS)

Wilhelmsen, Gunnar; Martinsen, Arnold Kyrre; Sandberg, Eiliv; Fladset, Per Olav; Kjerschow, Einar; Teslo, Einar

2001-01-01

This is Chapter 3 of the book ''Bio energy - Environment, technique and market''. Its main sections are: (1) Definitions and properties, (2) Bio fuel from the forest, (3) Processed bio fuel - briquettes, pellets and powder, (4) Bio fuel from agriculture, (5) Bio fuel from agro industry, (6) Bio fuel from lakes and sea, (7) Bio fuel from aquaculture, (8) Bio fuel from wastes and (9) Hydrogen as a fuel. The exposition largely describes the conditions in Norway. The chapter on energy from the forest includes products from the timber and sawmill industry, the pulp and paper industry, furniture factories etc. Among agricultural sources are straw, energy forests, vegetable oil, bio ethanol, manure

Determination of Erosion Hazard Level And Bio-Mechanical Conservation In Post Merapi Eruption Land At Srumbung Magelang

Directory of Open Access Journals (Sweden)

S Setyo Wardoyo

2016-08-01

Full Text Available The purpose of this study was to determine the Erosion hazard, to look for conservation of bio - mechanical techniques are appropriate . Research methods with overlies topographic maps, soil maps, land use maps, to obtain a Land Unit Map. Determined soil physical properties (texture, structure, permeability and chemical properties of soil (soil organic matter, slope, slope length, broad of land unit, crops factor and value conservation factors that have been there for Land Unit. Each land unit is determined the amount of land erosion and erosion hazard level. Erosion hazard level is determined based on soil erosion, and soil depth. Erosion hazzard level is used to determine the bio-mechanical conservation, according Hardjowigeno and Sukmana (1995. The results showed that the highest erosion hazard level with an area of 12.947 ha is classified weight (Land unit 15A, and the classification of an area of 14.665 ha is clssified moderately (Land unit 6A. Soil conservation is done in areas with highest erosion hazard level by making individual terraces and “kerandang” planted as a cover crops.

Development of a robust and compact kerosene–diesel reaction mechanism for diesel engines

International Nuclear Information System (INIS)

Tay, Kun Lin; Yang, Wenming; Mohan, Balaji; An, Hui; Zhou, Dezhi; Yu, Wenbin

2016-01-01

Highlights: • An approach is used to develop a robust kerosene–diesel reaction mechanism. • Ignition delay of the kerosene sub-mechanism is well validated with experiments. • The kerosene sub-mechanism reproduces the flame lift-off lengths of Jet-A reasonably well. • The kerosene sub-mechanism performs reasonably well under engine conditions. - Abstract: The use of kerosene fuels in internal combustion engines is getting more widespread. The North Atlantic Treaty Organization military is pushing for the use of a single fuel on the battlefield in order to reduce logistical issues. Moreover, in some countries, fuel adulteration is a serious matter where kerosene is blended with diesel and used in diesel engines. So far, most investigations done regarding the use of kerosene fuels in diesel engines are experimental and there is negligible simulation work done in this area possibly because of the lack of a robust and compact kerosene reaction mechanism. This work focuses on the development of a small but reliable kerosene–diesel reaction mechanism, suitable to be used for diesel engine simulations. The new kerosene–diesel reaction mechanism consists only of 48 species and 152 reactions. Furthermore, the kerosene sub-mechanism in this new mechanism is well validated for its ignition delay times and has proven to replicate kerosene combustion well in a constant volume combustion chamber and an optical engine. Overall, this new kerosene–diesel reaction mechanism is proven to be robust and practical for diesel engine simulations.

Clinical application of bio ceramics

Energy Technology Data Exchange (ETDEWEB)

Anu, Sharma, E-mail: issaranu@gmail.com; Gayatri, Sharma, E-mail: sharmagayatri@gmail.com [Department of Chemistry, Govt. College of Engineering & Technology, Bikaner, Rajasthan (India)

2016-05-06

Ceramics are the inorganic crystalline material. These are used in various field such as biomedical, electrical, electronics, aerospace, automotive and optical etc. Bio ceramics are the one of the most active areas of research. Bio ceramics are the ceramics which are biocompatible. The unique properties of bio ceramics make them an attractive option for medical applications and offer some potential advantages over other materials. During the past three decades, a number of major advances have been made in the field of bio ceramics. This review focuses on the use of these materials in variety of clinical scenarios.

Clinical application of bio ceramics

International Nuclear Information System (INIS)

Anu, Sharma; Gayatri, Sharma

2016-01-01

Ceramics are the inorganic crystalline material. These are used in various field such as biomedical, electrical, electronics, aerospace, automotive and optical etc. Bio ceramics are the one of the most active areas of research. Bio ceramics are the ceramics which are biocompatible. The unique properties of bio ceramics make them an attractive option for medical applications and offer some potential advantages over other materials. During the past three decades, a number of major advances have been made in the field of bio ceramics. This review focuses on the use of these materials in variety of clinical scenarios.

Cyclodextrin-Catalyzed Organic Synthesis: Reactions, Mechanisms, and Applications

Directory of Open Access Journals (Sweden)

Chang Cai Bai

2017-09-01

Full Text Available Cyclodextrins are well-known macrocyclic oligosaccharides that consist of α-(1,4 linked glucose units and have been widely used as artificial enzymes, chiral separators, chemical sensors, and drug excipients, owing to their hydrophobic and chiral interiors. Due to their remarkable inclusion capabilities with small organic molecules, more recent interests focus on organic reactions catalyzed by cyclodextrins. This contribution outlines the current progress in cyclodextrin-catalyzed organic reactions. Particular emphases are given to the organic reaction mechanisms and their applications. In the end, the future directions of research in this field are proposed.

Soft tissue deformation modelling through neural dynamics-based reaction-diffusion mechanics.

Science.gov (United States)

Zhang, Jinao; Zhong, Yongmin; Gu, Chengfan

2018-05-30

Soft tissue deformation modelling forms the basis of development of surgical simulation, surgical planning and robotic-assisted minimally invasive surgery. This paper presents a new methodology for modelling of soft tissue deformation based on reaction-diffusion mechanics via neural dynamics. The potential energy stored in soft tissues due to a mechanical load to deform tissues away from their rest state is treated as the equivalent transmembrane potential energy, and it is distributed in the tissue masses in the manner of reaction-diffusion propagation of nonlinear electrical waves. The reaction-diffusion propagation of mechanical potential energy and nonrigid mechanics of motion are combined to model soft tissue deformation and its dynamics, both of which are further formulated as the dynamics of cellular neural networks to achieve real-time computational performance. The proposed methodology is implemented with a haptic device for interactive soft tissue deformation with force feedback. Experimental results demonstrate that the proposed methodology exhibits nonlinear force-displacement relationship for nonlinear soft tissue deformation. Homogeneous, anisotropic and heterogeneous soft tissue material properties can be modelled through the inherent physical properties of mass points. Graphical abstract Soft tissue deformation modelling with haptic feedback via neural dynamics-based reaction-diffusion mechanics.

Unified connected theory of few-body reaction mechanisms in N-body scattering theory

Science.gov (United States)

Polyzou, W. N.; Redish, E. F.

1978-01-01

A unified treatment of different reaction mechanisms in nonrelativistic N-body scattering is presented. The theory is based on connected kernel integral equations that are expected to become compact for reasonable constraints on the potentials. The operators T/sub +-//sup ab/(A) are approximate transition operators that describe the scattering proceeding through an arbitrary reaction mechanism A. These operators are uniquely determined by a connected kernel equation and satisfy an optical theorem consistent with the choice of reaction mechanism. Connected kernel equations relating T/sub +-//sup ab/(A) to the full T/sub +-//sup ab/ allow correction of the approximate solutions for any ignored process to any order. This theory gives a unified treatment of all few-body reaction mechanisms with the same dynamic simplicity of a model calculation, but can include complicated reaction mechanisms involving overlapping configurations where it is difficult to formulate models.

Thermogravimetric investigation on the degradation properties and combustion performance of bio-oils.

Science.gov (United States)

Ren, Xueyong; Meng, Jiajia; Moore, Andrew M; Chang, Jianmin; Gou, Jinsheng; Park, Sunkyu

2014-01-01

The degradation properties and combustion performance of raw bio-oil, aged bio-oil, and bio-oil from torrefied wood were investigated through thermogravimetric analysis. A three-stage process was observed for the degradation of bio-oils, including devolatilization of the aqueous fraction and light compounds, transition of the heavy faction to solid, and combustion of carbonaceous residues. Pyrolysis kinetics parameters were calculated via the reaction order model and 3D-diffusion model, and combustion indexes were used to qualitatively evaluate the thermal profiles of tested bio-oils for comparison with commercial oils such as fuel oils. It was found that aged bio-oil was more thermally instable and produced more combustion-detrimental carbonaceous solid. Raw bio-oil and bio-oil from torrefied wood had comparable combustion performance to fuel oils. It was considered that bio-oil has a potential to be mixed with or totally replace the fuel oils in boilers. Copyright © 2013 Elsevier Ltd. All rights reserved.

Report on research in progress in the reaction mechanism area

Energy Technology Data Exchange (ETDEWEB)

Toledo, A.S. de; Canto, L F [Sao Paulo Univ. (Brazil). Inst. de Fisica

1982-09-01

Research on reaction mechanisms which are being done by several groups in Brazil are reported. They are grouped in four types, namely, reactions induced by heavy and light ions, induced by electrons and finally by photons.

Light ion reaction mechanisms and nuclear structure

International Nuclear Information System (INIS)

Robson, B.A.

1986-01-01

Of the many contributions to the subject 'Light ion reaction mechanism and nuclear structure', a few are selected and reviewed which highlight the present state of the field. Some contributions to the conference dealing with nuclear interactions are briefly outlined in the second section following an introductory section. Lane model calculations are compared with data for 9 Be and results are given showing angular distributions of the cross sections, the analyzing powers and the spin-rotation parameters for p - 40 Ca. Real central potential for d + 32 s resulting from the FB-analysis are compared with frozen density folding and delta-function folding. The third section deals with reaction mechanism. Data are cited which show near-side and far-side contributions to the calculated analyzing powers in the 116 Sn(d,p) 117 Sn (11.2 - ) transition. Calculations are compared with experimental A y and -(A yy + 2)/3. Also given are measurements of the cross sections and analyzing powers of the continuum energy spectra for the 58 Ni(p,p'x), along with relations between the analyzing powers and momentum transfer. The fourth section addresses nuclear structure. Cross sections and analyzing powers measured at 22 MeV for the reaction 208 Pb(p,t) 206 Pb(3 2 + ) are cited and considered. (Nogami, K.)

Electric reaction arising in bone subjected to mechanical loadings

Science.gov (United States)

Murasawa, Go; Cho, Hideo; Ogawa, Kazuma

2006-03-01

The aim of present study is the investigation of the electric reaction arising in bone subjected to mechanical loadings. Firstly, specimen was fabricated from femur of cow, and ultrasonic propagation in bone was measured by ultrasonic technique. Secondary, 4-point bending test was conducted up to fracture, and electric reaction arising in bone was measured during loading. Thirdly, cyclic 4-point bending test was conducted to investigate the effect of applied displacement speed on electric reaction.

Effect of process parameters on hydrothermal liquefaction of oil palm biomass for bio-oil production and its life cycle assessment

International Nuclear Information System (INIS)

Chan, Yi Herng; Yusup, Suzana; Quitain, Armando T.; Tan, Raymond R.; Sasaki, Mitsuru; Lam, Hon Loong; Uemura, Yoshimitsu

2015-01-01

Highlights: • Water is used as a clean solvent to liquefy palm biomass to bio-oil. • The optimum liquefaction condition of oil palm biomass is 390 °C and 25 MPa. • Optimum reaction time for liquefaction of empty fruit bunch and palm mesocarp fiber is 120 min. • Optimum reaction time for liquefaction of palm kernel shell is 240 min. • From the life cycle assessment, a net 2.29 kg CO 2 equivalent is generated per kg of bio-oil produced. - Abstract: This paper presents the studies on the effect of three process parameters; temperature, pressure and reaction time on the subcritical and supercritical hydrothermal liquefaction of oil palm empty fruit bunch, palm mesocarp fiber and palm kernel shell. The effect of temperature (330–390 °C), pressure (25–35 MPa) and reaction time (30–240 min) on bio-oil yields were investigated using a Inconel batch reactor. The optimum liquefaction condition for empty fruit bunch, palm mesocarp fiber and palm kernel shell was at supercritical condition of water; 390 °C and 25 MPa. For the effect of reaction time, bio-oil from empty fruit bunch and palm mesocarp fiber attained maximum yields at 120 min, whereas bio-oil yield from palm kernel shell continued to increase at reaction time of 240 min. Lastly, a life cycle assessment based on a conceptual biomass hydrothermal liquefaction process for bio-oil production was constructed and presented

Bio-remediation of aquifers polluted by chlorinated solvents

International Nuclear Information System (INIS)

Fayolle, F.

1996-01-01

Numerous cases of contamination of aquifers by chlorinated aliphatic solvents, largely utilized during the last decades, constitute a public health problem, because of the toxic effect of such compounds. Different types of aerobic or anaerobic bacteria are able to degrade these molecules. Processes of bio remediation are now experimented in order to restore polluted aquifers. We present here the microorganisms and the enzymatic reactions involved in the biodegradation of chlorinated solvents, and different examples of in situ bio remediation operations are described. (author)

Bio-based polyurethane foams toward applications beyond thermal insulation

International Nuclear Information System (INIS)

Gama, Nuno V.; Soares, Belinda; Freire, Carmen S.R.; Silva, Rui; Neto, Carlos P.; Barros-Timmons, Ana; Ferreira, Artur

2015-01-01

Highlights: • Coffee grounds wastes were successfully liquefied yielding a bio-based polyol. • Coffee grounds derived foams formulations were optimized by tuning reagents’ contents. • The viscoelastic properties of these foams are promising to expand their applications. - Abstract: In this work the preparation of viscoelastic bio-based polyurethane foams (PUFs) using polyols obtained via acid liquefaction of coffee grounds wastes has been optimized. In a first stage, the effect of different ratios of isocyanate content to hydroxyl number (0.6, 0.7 and 0.8) and of three distinct percentages of catalyst (3%, 5% and 7%) on the extent of the polymerization reaction was studied by infrared spectroscopy. Next, different percentages of surfactant (14%, 16% and 18%) and blowing agent (12%, 14% and 16%) were used to assess their effect on the density, thermal conductivity and mechanical properties of the foams, including their recovery time. The mechanical properties of the ensuing foams proved to be very interesting due to their viscoelastic behavior. PUFs were also characterized by scanning electron microscopy (SEM) revealing a typical cellular structure and by thermogravimetric analysis (TGA) which proved that these materials are thermally stable up to 190 °C. These results suggest other potential applications for these materials beyond heat insulation in areas where damping properties can be an added value

Engineering BioBrick vectors from BioBrick parts

Directory of Open Access Journals (Sweden)

Knight Thomas F

2008-04-01

Full Text Available Abstract Background The underlying goal of synthetic biology is to make the process of engineering biological systems easier. Recent work has focused on defining and developing standard biological parts. The technical standard that has gained the most traction in the synthetic biology community is the BioBrick standard for physical composition of genetic parts. Parts that conform to the BioBrick assembly standard are BioBrick standard biological parts. To date, over 2,000 BioBrick parts have been contributed to, and are available from, the Registry of Standard Biological Parts. Results Here we extended the same advantages of BioBrick standard biological parts to the plasmid-based vectors that are used to provide and propagate BioBrick parts. We developed a process for engineering BioBrick vectors from BioBrick parts. We designed a new set of BioBrick parts that encode many useful vector functions. We combined the new parts to make a BioBrick base vector that facilitates BioBrick vector construction. We demonstrated the utility of the process by constructing seven new BioBrick vectors. We also successfully used the resulting vectors to assemble and propagate other BioBrick standard biological parts. Conclusion We extended the principles of part reuse and standardization to BioBrick vectors. As a result, myriad new BioBrick vectors can be readily produced from all existing and newly designed BioBrick parts. We invite the synthetic biology community to (1 use the process to make and share new BioBrick vectors; (2 expand the current collection of BioBrick vector parts; and (3 characterize and improve the available collection of BioBrick vector parts.

Contribution to the study of metallic materials bio-corrosion phenomena

International Nuclear Information System (INIS)

Feron, D.

2004-05-01

After having recalled the main electrochemical methods used for the study of metallic materials bio-deterioration phenomena, the corrosion of non or low alloy steels in anaerobic conditions is dealt with: the obtained results reveal a strong interaction between the metallic ions and the growth of sulfato reducing bacteria with inhibiting or accelerating ions of this growth. Concerning the corrosion, the chromium and molybdenum additions have a favourable effect on the resistance of low alloy steels. The sulfides impose the electrochemical behaviour of these materials, whereas the role of hydrogenases on the cathodic reaction is still to be specified to explain the observed localized corrosion, including the pure cultures of sulfato-reducing bacteria. The behaviour of stainless steels in seawater can be explained by an enzymatic catalysis of the cathodic reaction. Such a model takes into account the general behaviour of passivable alloys in natural waters in a general way and has allowed to perfect a synthetic seawater which leads to corrosion phenomena by crevice effect on stainless steels similar to those observed in natural seawater. The coupling of the aerobic conditions with the leading part of the enzymes on the cathodic reaction and of the anaerobic conditions with the presence of sulfides (which decrease the resistance of the passive layer) is the most unfavourable situation for the resistance of passivable alloys. These results lead to the concept of electrochemically activated bio-films which could be used in particular in energy production (fuel cells). (O.M.)

Biologically active compounds to develop bioelectronics and bio photonics

Science.gov (United States)

Mishra, Ashok Kumar; Tiwari, Satya Prakash

2018-05-01

Recent reports on biomaterials and biological systems at nano scale provide researchers with a fertile ground with regard to materials, enabling bioelectronics, bio sensing and new nanotechnologies that cover a wide range of applications. The signal transductions have been reported for many biological phenomenons and new field of biophysics namely Biosensors and Bioelectronics have been emerged out. The advances in the study of various aspects of bio molecules like electrical, optical, thermal etc has established the interesting area of research like biophotonics, nanobiotechnology, molecular solid, molecular liquids, bio instrumentation etc. The present study discusses the some aspects and applications of the bioprocess yields nanostructures that are nearly flawless in composition, stereo specific in structure, and flexible. Furthermore, these biomaterials are environment friendly because they are biodegradable in nature. Biological compounds are self assembled into complex nanostructures and behave like a system possessing long range hierarchical nanoscale order. In addition, chemical modification and genetic engineering can be used to modify bio materials to enhance a specific property. Various biomaterials have been reported which allow nanostructure control for nano photonic applications. The dielectric and conduction properties of the bio molecules have been the subject of many investigations. As a result, there exist a wealth of valuable information on the charge transport and rotational properties of many bio molecules. Amino acids and proteins, nucleic acids, lipids, cell and tissues have been characterized over a wide frequency spectrum ranging from a few hertz to Giga hertz. In certain cases, dielectric measurements have been exploited to probe the physical changes taking place in biologically important structures, for example, in lipid phase transition process in membrane. The phase transition in membrane may be analyzed by applying the theory for

The effects of catalysts on the conversion of organic matter and bio-fuel production in the microwave pyrolysis of sludge at different temperatures.

Science.gov (United States)

Ma, Rui; Huang, Xiaofei; Zhou, Yang; Fang, Lin; Sun, Shichang; Zhang, Peixin; Zhang, Xianghua; Zhao, Xuxin

2017-08-01

Adding catalyst could improve the yields and qualities of bio-gas and bio-oil, and realize the oriented production. Results showed that the catalytic gas-production capacities of CaO were higher than those of Fe 2 O 3 , and the bio-gas yield at 800°C reached a maximum of 35.1%. Because the polar cracking active sites of CaO reduced the activation energy of the pyrolysis reaction and resulted in high catalytic cracking efficiencies. In addition, the quality of bio-oil produced by CaO was superior to that by Fe 2 O 3 , although the bio-oil yield of CaO was relatively weak. The light bio-fuel oriented catalytic pyrolysis could be realized when adding different catalysts. At 800°C, CaO was 45% higher than Fe 2 O 3 in aspect of H 2 production while Fe 2 O 3 was 103% higher than CaO in aspect of CH 4 production. Therefore, CaO was more suitable for H 2 production and Fe 2 O 3 was more suitable for CH 4 production. Copyright © 2017 Elsevier Ltd. All rights reserved.

Remediation of trichloroethylene by bio-precipitated and encapsulated palladium nanoparticles in a fixed bed reactor.

Science.gov (United States)

Hennebel, Tom; Verhagen, Pieter; Simoen, Henri; De Gusseme, Bart; Vlaeminck, Siegfried E; Boon, Nico; Verstraete, Willy

2009-08-01

Trichloroethylene is a toxic and recalcitrant groundwater pollutant. Palladium nanoparticles bio-precipitated on Shewanella oneidensis were encapsulated in polyurethane, polyacrylamide, alginate, silica or coated on zeolites. The reactivity of these bio-Pd beads and zeolites was tested in batch experiments and trichloroethylene dechlorination followed first order reaction kinetics. The calculated k-values of the encapsulated catalysts were a factor of six lower compared to non-encapsulated bio-Pd. Bio-Pd, used as a catalyst, was able to dechlorinate 100 mgL(-1) trichloroethylene within a time period of 1h. The main reaction product was ethane; yet small levels of chlorinated intermediates were detected. Subsequently polyurethane cubes empowered with bio-Pd were implemented in a fixed bed reactor for the treatment of water containing trichloroethylene. The influent recycle configuration resulted in a cumulative removal of 98% after 22 h. The same reactor in a flow through configuration achieved removal rates up to 1059 mg trichloroethylene g Pd(-1)d(-1). This work showed that fixed bed reactors with bio-Pd polyurethane cubes can be instrumental for remediation of water contaminated with trichloroethylene.

Application, Deactivation, and Regeneration of Heterogeneous Catalysts in Bio-Oil Upgrading

Directory of Open Access Journals (Sweden)

Shouyun Cheng

2016-12-01

Full Text Available The massive consumption of fossil fuels and associated environmental issues are leading to an increased interest in alternative resources such as biofuels. The renewable biofuels can be upgraded from bio-oils that are derived from biomass pyrolysis. Catalytic cracking and hydrodeoxygenation (HDO are two of the most promising bio-oil upgrading processes for biofuel production. Heterogeneous catalysts are essential for upgrading bio-oil into hydrocarbon biofuel. Although advances have been achieved, the deactivation and regeneration of catalysts still remains a challenge. This review focuses on the current progress and challenges of heterogeneous catalyst application, deactivation, and regeneration. The technologies of catalysts deactivation, reduction, and regeneration for improving catalyst activity and stability are discussed. Some suggestions for future research including catalyst mechanism, catalyst development, process integration, and biomass modification for the production of hydrocarbon biofuels are provided.

Report on research in progress in the reaction mechanism area

International Nuclear Information System (INIS)

Toledo, A.S. de; Canto, L.F.

1982-01-01

Research on reaction mechanisms which are being done by several groups in Brazil are reported. They are grouped in four types, namely, reactions induced by heavy and light ions, induced by electrons and finally by photons. (L.C.) [pt

Multi-nucleon transfer: a probe to investigate the reaction mechanism around the barrier

International Nuclear Information System (INIS)

Mandal, Samit K.

2014-01-01

The investigation of multi-nucleon transfer mechanism offers valuable information on the pairing interactions that enhance the transfer of nucleon pairs across heavy ions involved in the reaction. These reactions are also a useful tool to study exotic nuclei far from the stability line, which can be explored with the new generation radioactive beam facility. In this talk, multi-nucleon transfer reaction mechanisms between heavy ions and their effect on the reaction dynamics around the coulomb barrier energies have been discussed. Experimental results will be presented with a semi classical description of multi nucleon transfer reaction calculation. One and two nucleon transfer cross sections reproduced using a quantum mechanical coupled channel calculations will also be discussed. A feasibility of investigation of multi-nucleon transfer mechanism to explore the pairing correlation at moderate spin states with radioactive beams will be discussed. (author)

Biological floating bed and bio-contact oxidation processes for landscape water treatment: simultaneous removal of Microcystis aeruginosa, TOC, nitrogen and phosphorus.

Science.gov (United States)

Su, Jun Feng; Liang, Dong Hui; Fu, Le; Wei, Li; Ma, Min

2018-06-13

The aim of this study was to identify algicidal bacteria J25 against the Microcystis aeruginosa (90.14%), Chlorella (78.75%), Scenedesmus (not inhibited), and Oscillatoria (90.12%). Meanwhile, we evaluate the SOD activity and efficiency of denitrification characteristics with Acinetobacter sp. J25. A novel hybrid bioreactor combined biological floating bed with bio-contact oxidation (BFBO) was designed for treating the landscape water, and the average removal efficiencies of nitrate-N, ammonia-N, nitrite-N, TN, TP, TOC, and algal cells were 91.14, 50, 87.86, 88.83, 33.07, 53.95, and 53.43%, respectively. A 454-pyrosequencing technology was employed to investigate the microbial communities of the BFBO reactor samples. The results showed that Acinetobacter sp. J25 was the dominant contributor for effective removal of N, algal cells, and TOC in the BFBO reactor. And the relative abundance of Acinetobacter showed increase trend with the delay of reaction time. Graphical abstract Biological floating bed and bio-contact oxidation (BFBO) as a novel hybrid bioreactor designed for simultaneous removal Microcystis aeruginosa, TOC, nitrogen, and phosphorus. And high-throughput sequencing data demonstrated that Acinetobacter sp. J25 was the dominate species in the reactor and played key roles in the removal of N, TOC, and M. aeruginosa. Proposed reaction mechanism of the BFBO.

Reaction mechanism and spectroscopy of transfer reactions induced by heavy ions

International Nuclear Information System (INIS)

Lemaire, M.-C.

1977-01-01

The specific features displayed by data on heavy ion elastic and inelastic angular distributions are discussed, and their physical origin is pointed out from semi-classical calculations in counterpart ambiguities in the phenomenological description of the optical potential appear. Two nucleon transfer reactions induced by heavy ions successfully point out important contributions of a two-step process where the transfer is proceeding via target and residual nucleus inelastic excitation. At incident energies not too high above the Coulomb barrier, such process produces clear shape changes between different final state angular distributions. At higher incident energy, the angular distributions are forward peaked and display oscillations for both mechanisms. As for four-nucleon transfer reactions, the existing data suggest that the nucleons are well transferred into a Os relative

Microbial biodiversity of Tang and Pirgal mud volcanoes and evaluation of bio-emulsifier and bio-demulsifier activities of Capnophile bacteria

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Yasaman Parsia

2017-12-01

Full Text Available The data presented in this article is related to the Master thesis; entitled “Survey Aerobic Microbial Diversity Mud Volcanoes in Chabahar and Khash Ports in Southern Iran” by the first author of this article, year 2011, Islamic Azad University, Iran (reference number (Parsia, 2011 [1] of this article. This article shows microbial biodiversity and evaluates bio-emulsifier and bio-demulsifier abilities of capnophile isolates, in order to introduce a superior isolate for the Microbial Enhanced Oil Recovery (MEOR process in the petrochemical industry. Keywords: Mud volcanoes, Biodiversity, Bio-emulsification, Bio-demulsification, Petrochemistry

Preliminary Study on Kinetic Solid-Liquid Extraction and Bio-Active Components Analysis of Hibiscus rosa-sinensis Leaves

International Nuclear Information System (INIS)

Saiful Irwan Zubairi; Haizulizam Suradi; Syazwan Aizad Abdul Mutalib; Zetty Shafiqa Othman; Norshahida Bustaman; Wan Ros Maryana Wan Musa

2014-01-01

Hibiscus rosa-sinensis or commonly known as 'Hibiscus' is a kind of decorative flowers which often grown in a subtropical countries. This plant is often used in the preparation of traditional medicine because of its pharmacological properties that are capable of treating number of health problems. The plant contains several essential bio-active substances and nutrients especially in its flowers and leaves. One of the bioactive substances is β-sitosterol which is abundant in the leaf crude extract. Hibiscus leaves water extract yielded mucilage which is widely used in lowering high body temperature due to fever (antipyretic). Therefore, the main objective of this paper was to determine the maximum concentration of mucilage and time of exhaustive extraction from fresh and dried leaves using a Peleq's mathematical model. Moreover, several analyses were conducted such as qualitative analysis to determine the presence of bioactive substances using high performance liquid chromatography (HPLC) and determination of functional groups by means of fourier transform infrared method (FTIR). Physical properties of the extracts were evaluated to determine its acidity and viscosity of the mucilage with respect to different shear stress. The result show that the extract of dried Hibiscus leaves exhibited high in its concentrations even though the achieved exhaustive extraction was relatively slow as compared to fresh leaves (p < 0.05). Based on the HPLC analysis, the main bio-active substances of β-sitosterol was only existed in fresh leaves samples. The absence of β-sitosterol in dried leaves extract was caused by the loss of other important bio-active substances which possess surfactant capability, due to thermal degradation of drying process or the component itself was deteriorated during the pre-preparation drying process. Furthermore, the FTIR analysis shows that the same composition of the absorption peaks for both extracts with the highest absorption of O-H bonds was

Bio aerosol Generation at wastewater treatment plants: Identification of main bio aerosols sources

International Nuclear Information System (INIS)

Sanchez Monedero, M. A.; Aguilar, M. I.; Fenoll, R.; Roig, A.

2009-01-01

Typical operations taking place at wastewater treatment plants, especially those involving aeration and mechanical agitation of raw wastewater, represent one of the main sources of bio aerosols that, if inhaled, could pose a biologic hazard to site workers and local residents. Six different wastewater treatment plants from southeast Spain were monitories in order to identify the main bio aerosol sources and to evaluate the airborne microorganisms levels to which workers may be exposed to. Air samples were taken from selected locations by using a single stage impactor. (Author)

Mechanical stretch induces MMP-2 release and activation in lung endothelium: role of EMMPRIN.

Science.gov (United States)

Haseneen, Nadia A; Vaday, Gayle G; Zucker, Stanley; Foda, Hussein D

2003-03-01

High-volume mechanical ventilation leads to ventilator-induced lung injury. This type of lung injury is accompanied by an increased release and activation of matrix metalloproteinases (MMPs). To investigate the mechanism leading to the increased MMP release, we systematically studied the effect of mechanical stretch on human microvascular endothelial cells isolated from the lung. We exposed cells grown on collagen 1 BioFlex plates to sinusoidal cyclic stretch at 0.5 Hz using the Flexercell system with 17-18% elongation of cells. After 4 days of cell stretching, conditioned media and cell lysate were collected and analyzed by gelatin, casein, and reverse zymograms as well as Western blotting. RT-PCR of mRNA extracted from stretched cells was performed. Our results show that 1) cyclic stretch led to increased release and activation of MMP-2 and MMP-1; 2) the activation of MMP-2 was accompanied by an increase in membrane type-1 MMP (MT1-MMP) and inhibited by a hydroxamic acid-derived inhibitor of MMPs (Prinomastat, AG3340); and 3) the MMP-2 release and activation were preceded by an increase in production of extracellular MMP inducer (EMMPRIN). These results suggest that cyclic mechanical stretch leads to MMP-2 activation through an MT1-MMP mechanism. EMMPRIN may play an important role in the release and activation of MMPs during lung injury.

Investigation of the kinetics and mechanism of the glycerol chlorination reaction using gas chromatography–mass spectrometry

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JUN WANG

2010-01-01

Full Text Available As a primary by-product in biodiesel production, glycerol can be used to prepare an important fine chemical, epichlorohydrin, by the glycerol chlorination reaction. Although this process has been applied in industrial production, unfortunately, less attention has been paid to the analysis and separation of the compounds in the glycerol chlorination products. In this study, a convenient and accurate method to determine the products in glycerol chlorination reaction was established and based on the results the kinetic mechanism of the reaction was investigated. The structure of main products, including 1,3--dichloropropan-2-ol, 2,3-dichloropropan-1-ol, 3-chloro-1,2-propanediol, 2-chloro-1,3-propanediol and glycerol was ascertained by gas chromatography–mass spectrometry and the isomers of the products were distinguished. Apidic acid was considered as the best catalyst because of its excellent catalytic effect and high boiling point. The mechanism of the glycerol chlorination reaction was proposed and a new kinetic model was developed. Kinetic equations of the process in the experimental range were obtained by data fitting and the activation energies of each tandem reaction were 30.7, 41.8, 29.4 and 49.5 kJ mol-1, respectively. This study revealed the process and mechanism of the kinetics and provides the theoretical basis for engineering problems.

Bio-aviation fuel production from hydroprocessing castor oil promoted by the nickel-based bifunctional catalysts.

Science.gov (United States)

Liu, Siyang; Zhu, Qingqing; Guan, Qingxin; He, Liangnian; Li, Wei

2015-05-01

Bio-aviation fuel was firstly synthesized by hydroprocessing castor oil in a continuous-flow fixed-bed microreactor with the main objective to obtain the high yield of aviation fuel and determine the elemental compositions of the product phases as well as the reaction mechanism. Highest aviation range alkane yields (91.6 wt%) were achieved with high isomer/n-alkane ratio (i/n) 4.4-7.2 over Ni supported on acidic zeolites. In addition, different fuel range alkanes can be obtained by adjusting the degree of hydrodeoxygenation (HDO) and hydrocracking. And the observations are rationalized by a set of reaction pathways for the various product phases. Copyright © 2015 Elsevier Ltd. All rights reserved.

Optical bio-sniffer for ethanol vapor using an oxygen-sensitive optical fiber.

Science.gov (United States)

Mitsubayashi, Kohji; Kon, Takuo; Hashimoto, Yuki

2003-11-30

An optical bio-sniffer for ethanol was constructed by immobilizing alcohol oxidase (AOD) onto a tip of a fiber optic oxygen sensor with a tube-ring, using an oxygen sensitive ruthenium organic complex (excitation, 470 nm; fluorescent, 600 nm). A reaction unit for circulating buffer solution was applied to the tip of the device. After the experiment in the liquid phase, the sniffer-device was applied for gas analysis using a gas flow measurement system with a gas generator. The optical device was applied to detect the oxygen consumption induced by AOD enzymatic reaction with alcohol application. The sensor in the liquid phase was used to measure ethanol solution from 0.50 to 9.09 mmol/l. Then, the bio-sniffer was calibrated against ethanol vapor from 0.71 to 51.49 ppm with good gas-selectivity based on the AOD substrate specificity. The bio-sniffer with the reaction unit was also used to monitor the concentration change of gaseous ethanol by rinsing and cleaning the fiber tip and the enzyme membrane with buffer solution.

FY 1997 report on the research study on the effect of the active use of bio-technology on energy and social systems; 1997 nendo chosa hokokusho (bio-technology no katsuyo ni yoru energy shakai system ni oyobosu koka no chosa kenkyu)

Energy Technology Data Exchange (ETDEWEB)

NONE

1998-03-01

For construction of a sustainable society by active use of bio-technology, a research study was made on the current state of active use of bio-technology for every industrial or social field, and the basic recognition and orientation for practice and diffusion of bio-technology. The previous typical examples of the effect of bio-technology on energy and social systems were evaluated from not only an affirmative viewpoint but also a compensatory viewpoint. Based on these examples, promising features of bio-technology and measures for active use of such features were showed for the future energy and social systems from a technological viewpoint. As a scenario for sustainable development of a society, some approaches and values about collection of rare resources, agriculture based on mass circulation, and recurrence to high-protein traditional foods such as fermented food were showed for balanced development of environment, population, and resources including energy and food. 8 refs., 14 figs., 8 tabs.

The Effectivity of Marine Bio-activator and Surimi Liquid Waste Addition of Characteristics Liquid Organic Fertilizer from Sargassum sp.

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Putri Wening Ratrinia

2017-02-01

Full Text Available AbstractOrganic fertilizer is highly recommended for soil and plant because it can improve the productivity and repair physical, chemical, and biological of soil. Sargassum sp. and surimi liquid wastes contain organic matter and nutrient needed by plants and soils. The addition of marine bio-activator which contains bacterial isolates from litter mangrove serves to accelerate the composting time and increases the activity of microorganisms in the decomposition process. The purpose of this study was to determine optimum time and the best formulation of decomposition process organic fertilizer. Raw materials used a waste of seaweed Sargassum sp., marine bio-activator and surimi liquid waste from catfish (Clarias sp.. The research was conducted six treatments control, Sargassum sp. + marine bio-activator, surimi liquid waste , Sargassum sp. + marine bio-activator + surimi liquid waste 80%, 90%, 100%. All treatments were fermented for 9 days and analysed the C-organic, total N, C/N ratio, P2O5, K2O on days 0, 3, 6 and 9. The results showed the optimum fermentation period was on the 6th day. The most optimum concentration of surimi liquid waste added was at a concentration of 90%, with characteristics of the products was C-organic 0.803±0.0115%, total N 740.063±0.0862 ppm, C/N ratio 10.855±0.1562, P2O5 425.603±0.2329 ppm, K2O 2738.627±0.2836 ppm.

The Effectivity of Marine Bio-activator and Surimi Liquid Waste Addition of Characteristics Liquid Organic Fertilizer from Sargassum sp.

Directory of Open Access Journals (Sweden)

Putri Wening Ratrinia

2016-12-01

Full Text Available Organic fertilizer is highly recommended for soil and plant because it can improve the productivity and repair physical, chemical, and biological of soil. Sargassum sp. and surimi liquid wastes contain organic matter and nutrient needed by plants and soils. The addition of marine bio-activator which contains bacterial isolates from litter mangrove serves to accelerate the composting time and increases the activity of microorganisms in the decomposition process. The purpose of this study was to determine optimum time and the best formulation of decomposition process organic fertilizer. Raw materials used a waste of seaweed Sargassum sp., marine bio-activator and surimi liquid waste from catfish (Clarias sp.. The research was conducted six treatments control, Sargassum sp. + marine bio-activator, surimi liquid waste , Sargassum sp. + marine bio-activator + surimi liquid waste 80%, 90%, 100%. All treatments were fermented for 9 days and analysed the C-organic, total N, C/N ratio, P2 O5 , K2 O on days 0, 3, 6 and 9. The results showed the optimum fermentation period was on the 6th day. The most optimum concentration of surimi liquid waste added was at a concentration of 90%, with characteristics of the products was C-organic 0.803 ± 0.0115 %, total N 740.063 ± 0.0862 ppm, C/N ratio 10.855 ± 0.1562, P2 O5 425.603 ± 0.2329 ppm, K2 O 2738.627 ± 0.2836 ppm.

Effect of operating conditions on direct liquefaction of low-lipid microalgae in ethanol-water co-solvent for bio-oil production

International Nuclear Information System (INIS)

Ji, Changhao; He, Zhixia; Wang, Qian; Xu, Guisheng; Wang, Shuang; Xu, Zhixiang; Ji, Hengsong

2017-01-01

Highlights: • Low-lipid microalgae was selected as feedstock for DL in ethanol-water co-solvent. • Operating conditions had great influence on product yields and conversion rate. • Bio-oil could be obtained from all three main components. • Ethanol and water showed obviously synergistic effect during the DL of microalgae. • Bio-oil composition from DL of microalgae was different from lignocellulose biomass. - Abstract: In this work, the direct liquefaction (DL) of low-lipid microalgae Spirulina was investigated in a 50 ml autoclave reactor with ethanol and water as co-solvent. The objective of this research was carried out to examine the effect of operating conditions such as reaction temperature, reaction time, solvent/microalgae (S/M) ratio and ethanol-water co-solvent (EWCS) composition on product distribution and bio-oil characterization. The results revealed that the optimal operating conditions for bio-oil yield and conversion rate were reaction temperature of 300 °C, reaction time of 45 min, ethanol content of 50 vol.% and S/M ratio of 40/4 ml/g, which gave the bio-oil yield of 59.5% and conversion rate of 94.73%. Conversion rate in EWCS was significantly higher than that in pure water or ethanol, suggesting the synergistic effect between ethanol and water during microalgae DL. Distinct difference in composition and relative content of compound among bio-oils in different solvents were observed by GC–MS and FT-IR. Compared with hydrothermal liquefaction, the most abundant compounds in bio-oil from both EWCS and pure ethanol were esters. The presence of ethanol could enhance the bio-oil yield and improve bio-oil quality by promoting the formation of esters.

Reaction mechanisms for on-surface synthesis of covalent nanostructures

International Nuclear Information System (INIS)

Björk, J

2016-01-01

In recent years, on-surface synthesis has become an increasingly popular strategy to form covalent nanostructures. The approach has great prospects for facilitating the manufacture of a range of fascinating materials with atomic precision. However, the on-surface reactions are enigmatic to control, currently restricting its bright perspectives and there is a great need to explore how the reactions are governed. The objective of this topical review is to summarize theoretical work that has focused on comprehending on-surface synthesis protocols through studies of reaction mechanisms. (topical review)

Restoration of badlands through applying bio-engineering techniques in active gully systems: Evidence from the Ecuadorian Andes

Science.gov (United States)

Borja, P.; Vanacker, V.; Alvarado, D.; Govers, G.

2012-04-01

A better insight in the processes controlling sediment generation, transport and deposition in badlands is necessary to enhance restoration of degraded soils through eco-engineering techniques. In this study, we evaluate the effect of different bio-engineering measures on soil and slope stability. Five micro-catchments (of 0.2 to 5 ha) were selected within a 3 km2 area in the lower part of the Loreto catchment (Southern Ecuadorian Andes). The micro-catchments differ only by land cover and degree of implementation of soil and water conservation measures. Bio-engineering techniques were used to construct dikes made of fascines of wooden sticks and earth-filled tires in active gully beds, where they are most efficient to reduce water and sediment transport. The experimental design consists of three micro-catchments within highly degraded lands: (DI) micro-catchment with bio-engineering measures concentrated in the active gully beds, (DF) with reforestation of Eucalyptus trees, and (DT) reference situation without any conservation measures. Two micro-catchments were monitored in agricultural lands with (AI) and without (AT) bio-engineering measures in the active gully beds. All catchments were equipped with San Dimas flumes to measure water flow, and sediment traps to monitor sediment export. In the (active) gully beds, various parameters related to gully stability (soil water content, bed elevation, vegetation cover, sedimentation/erosion) were monitored at weekly intervals. First results show that bio-engineering techniques are efficient to stabilize active gully beds through a reduction of the rapid concentration of excess rainfall and the sediment production and transfer. Fascines made of wooden sticks are far more efficient than earth-filled tires. Sediment deposition behind dikes is strongly dependent on precedent rainfall events, and the slope and vegetation cover of the gully floor. The sediment deposited facilitates colonization of the gully floor by native

High energy halogen atom reactions activated by nuclear transformations. Progress report, February 15, 1978--February 14, 1979

International Nuclear Information System (INIS)

Rack, E.P.

1979-02-01

High energy reactions of halogen atoms or ions, activated by nuclear transformations, were studied in gaseous, high pressure and condensed phase saturated and unsaturated hydrocarbons, halomethanes and other organic systems in order to better understand the mechanisms and dynamics of high energy monovalent species. The experimental and theoretical program consists of six interrelated areas: (1) the reactions of iodine with alkenes and alkynes activated by radiative neutron capture and isomeric transition in low pressure gaseous systems employing additives and rare gas moderators, high pressure and liquid systems; (2) the gas to condensed state transition in halogen high chemistry, involving bromine activated by the (n,γ) and (I.T.) processes in ethane was investigated in more detail; (3) systematics of halogen hot atom reactions. The reactions of 80 Br/sup m/, 80 Br, 82 Br/sup m/ + 82 Br, 82 Br, 128 I, 130 I, and 130 I/sup m/ + 130 I activated by radiative neutron capture or isomeric transition in hydrocarbons and halo-substituted alkanes in low pressure and high pressure gaseous systems employing additives and rare gas moderators; (4) kinetic theory applications of high energy reactions and mathematical development of caging mechanisms were developed; (5) the sterochemistry of 38 Cl substitution reactions involving diastereomeric 1,2-dichloro-1,2-difluorethane in liquid mixtures was completed, suggesting that the stereochemical course of the substitution process is controlled by the properties of the solvent molecules; and (6) the applications of high energy chemistry techniques and theory to neutron activation analysis of biological systems was continued, especially involving aluminum and vanadium trace determinations

Effect of alkali treatment on the mechanical properties of Poly (lactic acid / Guineacorn husk particulate bio-composites

Directory of Open Access Journals (Sweden)

Umar SHEHU

2016-12-01

Full Text Available The paper focuses on the influence of alkali treatment on the mechanical properties of biocomposites made from poly(lactic acid (PLA and guineacorn husks particulates (GHP with respect to that of the untreated (untrd biocomposites. The composites were prepared using a single screw extruder and an injection moulding machine with particulate compositions varying from 0-40% at 10% interval. It was observed that the tensile strength of the bio-composites decreased with increase in filler content with a maximum value of 31.24MPa at 10% filler content. The tensile modulus recorded an increase with increase in filler content with a maximum value of 2505MPa at 40% filler content while the maximum hardness stood at 72.9HRR at 30% filler content. The alkali treated bio-composites exhibited better properties as compared to those of the untreated ones.

Evaluation of the production potential of bio-oil from Vietnamese biomass resources by fast pyrolysis

International Nuclear Information System (INIS)

Phan, Binh M.Q.; Duong, Long T.; Nguyen, Viet D.; Tran, Trong B.; Nguyen, My H.H.; Nguyen, Luong H.; Nguyen, Duc A.; Luu, Loc C.

2014-01-01

Agricultural activities in Vietnam generate about 62 million tonnes of biomass (rice straw, rice husk, bagasse, corn cob, corn stover, etc.) annually. In this work, four different types of biomass from Vietnam, namely rice straw, rice husk, factory bagasse, and corn cob, have been studied as potential raw materials to produce bio-oil by fast pyrolysis technology. Test runs were conducted in a fluidized-bed reactor at a temperature of 500 °C and residence time less than 2 s. Size and moisture content of the feed were less than 2 mm and 2%, respectively. It was found that yields of bio-oil as a liquid product obtained from pyrolysis of these feedstocks were more than 50% and that obtained from the bagasse was the highest. Bio-oil quality from Vietnamese biomass resources satisfies ASTM D7544-12 standard for pyrolysis liquid biofuels. These results showed the potential of using biomass in Vietnam to produce bio-oil which could be directly used as a combustion fuel or upgraded into transportation fuels and chemicals. - Highlights: • Four types of Vietnamese biomass were firstly analyzed in detail. • Optimal conditions for fast pyrolysis reaction for Vietnamese biomass types. • Bio-oil product adapted to the standard specification for pyrolysis liquid biofuel

Production of gaseous and liquid bio-fuels from the upgrading of lignocellulosic bio-oil in sub- and supercritical water: Effect of operating conditions on the process

International Nuclear Information System (INIS)

Remón, J.; Arcelus-Arrillaga, P.; García, L.; Arauzo, J.

2016-01-01

Highlights: • Bio-oil valorisation in sub-/supercritical water: a promising route for bio-fuels. • Effect of P, T, t, catalyst and water regime on bio-oil upgrading studied in depth. • Tailor-made route for H_2, CH_4 and liquid bio-fuel production in a single process. • Upgraded liquid with high proportions of C and H, higher HHV and less O content. - Abstract: This work analyses the influence of the temperature (310–450 °C), pressure (200–260 bar), catalyst/bio-oil mass ratio (0–0.25 g catalyst/g bio-oil), and reaction time (0–60 min) on the reforming in sub- and supercritical water of bio-oil obtained from the fast pyrolysis of pinewood. The upgrading experiments were carried out in a batch micro-bomb reactor employing a co-precipitated Ni–Co/Al–Mg catalyst. This reforming process turned out to be highly customisable for the valorisation of bio-oil for the production of either gaseous or liquid bio-fuels. Depending on the operating conditions and water regime (sub/supercritical), the yields to upgraded bio-oil (liquid), gas and solid varied as follows: 5–90%, 7–91% and 3–31%, respectively. The gas phase, having a LHV ranging from 2 to 17 MJ/m"3 STP, was made up of a mixture of H_2 (9–31 vol.%), CO_2 (41–84 vol.%), CO (1–22 vol.%) and CH_4 (1–45 vol.%). The greatest H_2 production from bio-oil (76% gas yield with a relative amount of H_2 of 30 vol.%) was achieved under supercritical conditions at a temperature of 339 °C, 200 bar of pressure and using a catalyst/bio-oil ratio of 0.2 g/g for 60 min. The amount of C, H and O (wt.%) in the upgraded bio-oil varied from 48 to 74, 4 to 9 and 13 to 48, respectively. This represents an increase of up to 37% and 171% in the proportions of C and H, respectively, as well as a decrease of up to 69% in the proportion of O. The HHV of the treated bio-oil shifted from 20 to 35 MJ/kg, which corresponds to an increase of up to 89% with respect to the HHV of the original bio-oil. With a

Real-time investigation of human topoisomerase I reaction kinetics using an optical sensor: a fast method for drug screening and determination of active enzyme concentrations

Science.gov (United States)

Kristoffersen, Emil L.; Jørgensen, Line A.; Franch, Oskar; Etzerodt, Michael; Frøhlich, Rikke; Bjergbæk, Lotte; Stougaard, Magnus; Ho, Yi-Ping; Knudsen, Birgitta R.

2015-05-01

Human DNA topoisomerase I (hTopI) is a nuclear enzyme that catalyzes relaxation of super helical tension that arises in the genome during essential DNA metabolic processes. This is accomplished through a common reaction mechanism shared among the type IB topoisomerase enzymes, including eukaryotic and poxvirus topoisomerase I. The mechanism of hTopI is specifically targeted in cancer treatment using camptothecin derivatives. These drugs convert the hTopI activity into a cellular poison, and hence the cytotoxic effects of camptothecin derivatives correlate with the hTopI activity. Therefore, fast and reliable techniques for high throughput measurements of hTopI activity are of high clinical interest. Here we demonstrate potential applications of a fluorophore-quencher based DNA sensor designed for measurement of hTopI cleavage-ligation activities, which are the catalytic steps affected by camptothecin. The kinetic analysis of the hTopI reaction with the DNA sensor exhibits a characteristic burst profile. This is the result of a two-step ping-pong reaction mechanism, where a fast first reaction, the one creating the signal, is followed by a slower second reaction necessary for completion of the catalytic cycle. Hence, the burst profile holds information about two reactions in the enzymatic mechanism. Moreover, it allows the amount of active enzyme in the reaction to be determined. The presented results pave the way for future high throughput drug screening and the potential of measuring active hTopI concentrations in clinical samples for individualized treatment.Human DNA topoisomerase I (hTopI) is a nuclear enzyme that catalyzes relaxation of super helical tension that arises in the genome during essential DNA metabolic processes. This is accomplished through a common reaction mechanism shared among the type IB topoisomerase enzymes, including eukaryotic and poxvirus topoisomerase I. The mechanism of hTopI is specifically targeted in cancer treatment using

Photocatalytic degradation of paracetamol: intermediates and total reaction mechanism.

Science.gov (United States)

Moctezuma, Edgar; Leyva, Elisa; Aguilar, Claudia A; Luna, Raúl A; Montalvo, Carlos

2012-12-01

The advanced oxidation of paracetamol (PAM) promoted by TiO(2)/UV system in aqueous medium was investigated. Monitoring this reaction by HPLC and TOC, it was demonstrated that while oxidation of paracetamol is quite efficient under these conditions, its mineralization is not complete. HPLC indicated the formation of hydroquinone, benzoquinone, p-aminophenol and p-nitrophenol in the reaction mixtures. Further evidence of p-nitrophenol formation was obtained following the reaction by UV-vis spectroscopy. Continuous monitoring by IR spectroscopy demonstrated the breaking of the aromatic amide present in PAM and subsequent formation of several aromatic intermediate compounds such as p-aminophenol and p-nitrophenol. These aromatic compounds were eventually converted into trans-unsaturated carboxylic acids. Based on these experimental results, an alternative deacylation mechanism for the photocatalytic oxidation of paracetamol is proposed. Our studies also demonstrated IR spectroscopy to be a useful technique to investigate oxidative mechanisms of pharmaceutical compounds. Copyright © 2012 Elsevier B.V. All rights reserved.

Upgrading pyrolysis bio-oil through hydrodeoxygenation (HDO) using non-sulfided Fe-Co/SiO2 catalyst

International Nuclear Information System (INIS)

Cheng, Shouyun; Wei, Lin; Julson, James; Rabnawaz, Muhammad

2017-01-01

Highlights: • Fe-Co/SiO 2 catalyst with medium acidity was more effective for bio-oil upgrading. • Co-loading of Fe and Co on SiO 2 support improved catalyst performance. • Catalyst showing the best catalytic activity had a Fe/Co mole ratio of 1. • Biofuel produced by Fe-Co(1)/SiO 2 had the higher hydrocarbons content at 22.44%. • The mechanism of bio-oil HDO on Fe-Co/SiO 2 catalysts is proposed. - Abstract: Hydrodeoxygenation (HDO) is an effective route to upgrade bio-oil to hydrocarbon bio-oil, but the development of efficient catalysts for bio-oil HDO still remains a challenge. In this study, non-sulfided Fe-Co/SiO 2 catalysts were used to upgrade bio-oil using HDO. A series of Fe-Co/SiO 2 catalysts with different Fe/Co mole ratios were prepared, characterized and evaluated. The Fe and/or Co loading did not change SiO 2 crystalline structure. The Fe and/or Co metals increased the amount and strength of Fe-Co/SiO 2 catalyst acidity. Physicochemical properties of upgraded bio-oils produced using Fe-Co/SiO 2 catalysts such as water content, total acid number, viscosity and higher heating values improved in comparison to raw bio-oil. Bimetallic Fe-Co/SiO 2 catalysts resulted in better HDO performance than monometallic Fe/SiO 2 or Co/SiO 2 catalysts. This was due to the synergistic effect of Fe and Co occurring on the SiO 2 support. Fe-Co/SiO 2 catalyst having medium amount of acidity was more effective for bio-oil upgrading. The highest hydrocarbons content produced using Fe-Co(1)/SiO 2 catalyst was 22.44%. The mechanism of bio-oil HDO on Fe-Co/SiO 2 catalysts is proposed.

Development and validation of a reduced combined biodiesel–diesel reaction mechanism

DEFF Research Database (Denmark)

Ng, Hoon Kiat; Gan, Suyin; Ng, Jo-Han

2013-01-01

In this study, a compact combined biodiesel–diesel (CBD) reaction mechanism for diesel engine simulations is proposed through the combination of three component mechanisms using a chemical class-based approach. The proposed mechanism comprises the reaction mechanisms of methyl crotonate (MC...... to characterise the combustion of fossil diesel. Here, the MC and MB mechanisms are reduced before integrating with a compact n-heptane mechanism. CHEMKIN-PRO is used as the solver for the zero-dimensional, closed homogenous reactor with a constant volume in this study. In the first phase, the mechanisms of MC...... ranging from initial temperatures of 750–1350 K, pressures of 40–60 bar and equivalence ratios of 0.4–1.5. The mechanism is generally found to accurately predict the timing and duration of ID for the combustion of each surrogate fuel. This model is also shown to be feasible for use with multidimensional...

The protective effect of platelet released growth factors and bone augmentation (Bio-Oss®) on ethanol impaired osteoblasts.

Science.gov (United States)

Sönmez, Tolga Taha; Bayer, Andreas; Cremer, Tillman; Hock, Jennifer Vanessa Phi; Lethaus, Bernd; Kweider, Nisreen; Wruck, Christoph Jan; Drescher, Wolf; Jahr, Holger; Lippross, Sebastian; Pufe, Thomas; Tohidnezhad, Mersedeh

2017-11-01

Chronic alcohol consumption is a known limiting factor for bone healing. One promising strategy to improve bone augmentation techniques with Bio-Oss ® in oral and maxillofacial surgery might be the supportive application of platelet-concentrated biomaterials as platelet-released growth factor (PRGF). To address this matter, we performed an in vitro study investigating the protective effects of PRGF and Bio-Oss ® in ethanol (EtOH) treated osteoblasts. The SAOS-2 osteosarcoma cell line, with and without EtOH pretreatment was used. The cell viability, proliferation and alkali phosphatase activity (ALP) after application of 0%, 5% and 10% PRGF and Bio-Oss ® were assessed. The application of PRGF and Bio-Oss ® in EtOH impaired osteoblasts showed a significant beneficial influence increasing the viability of the osteoblasts in cell culture. The synergistic effect of Bio-Oss ® and 5% PRGF on the proliferation of osteoblasts was also demonstrated. Bio-Oss ® only in combination with PRGF increases the alkaline phosphatase (ALP) activity in EtOH pretreated cells. These results indicate that the simultaneous application of PRGF and Bio-Oss ® inhibits EtOH induced bone healing impairment. Furthermore, in the cells, PRGF induced a protective mechanism which might promote bone regeneration. Copyright © 2017 Elsevier GmbH. All rights reserved.

Hydrogen oxidation mechanisms on Ni/yttria stabilized zirconia anodes: Separation of reaction pathways by geometry variation of pattern electrodes

Science.gov (United States)

Doppler, M. C.; Fleig, J.; Bram, M.; Opitz, A. K.

2018-03-01

Nickel/yttria stabilized zirconia (YSZ) electrodes are affecting the overall performance of solid oxide fuel cells (SOFCs) in general and strongly contribute to the cell resistance in case of novel metal supported SOFCs in particular. The electrochemical fuel conversion mechanisms in these electrodes are, however, still only partly understood. In this study, micro-structured Ni thin film electrodes on YSZ with 15 different geometries are utilized to investigate reaction pathways for the hydrogen electro-oxidation at Ni/YSZ anodes. From electrodes with constant area but varying triple phase boundary (TPB) length a contribution to the electro-catalytic activity is found that does not depend on the TPB length. This additional activity could clearly be attributed to a yet unknown reaction pathway scaling with the electrode area. It is shown that this area related pathway has significantly different electrochemical behavior compared to the TPB pathway regarding its thermal activation, sulfur poisoning behavior, and H2/H2O partial pressure dependence. Moreover, possible reaction mechanisms of this reaction pathway are discussed, identifying either a pathway based on hydrogen diffusion through Ni with water release at the TPB or a path with oxygen diffusion through Ni to be a very likely explanation for the experimental results.

In-vitro bio-fabrication of silver nanoparticle using Adhathoda vasica leaf extract and its anti-microbial activity

Science.gov (United States)

Nazeruddin, G. M.; Prasad, N. R.; Prasad, S. R.; Garadkar, K. M.; Nayak, Arpan Kumar

2014-07-01

It is well known that on treating the metallic salt solution with some plant extracts, a rapid reduction occurs leading to the formation of highly stable metal nanoparticles. Extracellular synthesis of metal nanoparticles using extracts of plants like Azadirachta indica (Neem), and Zingiber officinale (Ginger) has been reported to be successfully carried out. In this study we have developed a novel method to synthesize silver nanoparticles by mixing silver salt solution with leaf extract of Adhathoda vasica (Adulsa) without using any surfactant or external energy. By this method physiologically stable, bio-compatible Ag nanoparticles were formed which could be used for a variety of applications such as targeted drug delivery which ensures enhanced therapeutic efficacy and minimal side effects. With this method rapid synthesis of nanoparticles was observed to occur; i.e. reaction time was 1-2 h as compared to 2-4 days required by microorganisms. These nanoparticles were analyzed by various characterization techniques to reveal their morphology, chemical composition, and antimicrobial activity. TEM image of these NPs indicated the formation of spherical, non-uniform, poly-dispersed nanoparticles. A detailed study of anti-microbial activity of nanoparticles was carried out.

Mechanism of thioredoxin-catalyzed disulfide reduction. Activation of the buried thiol and role of the variable active-site residues

NARCIS (Netherlands)

Carvalho, A.P.; Swart, M.; van Stralen, J.N.P.; Fernandes, P.A.; Ramos, M.E.; Bickelhaupt, F.M.

2008-01-01

Thioredoxins (Trx) are enzymes with a characteristic CXYC active-site motif that catalyze the reduction of disulfide bonds in other proteins. We have theoretically explored this reaction mechanism, both in the gas phase and in water, using density functional theory. The mechanism of disulfide

Bio-energy. Innovators talking; Bio-energie. Innovators aan het woord

Energy Technology Data Exchange (ETDEWEB)

NONE

2013-02-15

Qualitative studies have been conducted of the results of completed projects focused on energy innovation, spread over the seven themes of the top sector Energy: Energy saving in industry, Energy conservation in the built environment, Gas, Bio-energy, Smart grids, Offshore Wind, Solar PV. This provides insight into the follow-up activities and lessons of some EOS (Energy Research Subsidy) completed projects with the aim to inspire, connect and strengthen the TKIs (Topconsortia for Knowledge and Innovation) and individual companies and researchers working on energy innovation. This report concerns the research on bio-energy [Dutch] Er is een kwalitatief onderzoek uitgevoerd naar de resultaten van afgeronde projecten gericht op energie-innovatie, verdeeld over de zeven thema's van de topsector Energie: Energiebesparing in de industrie; Energiebesparing in de gebouwde omgeving; Gas; Bio-energie; Smart grids; Wind op zee; Zon-pv. Daarmee wordt inzicht gegeven in de vervolgactiviteiten en lessen van een aantal afgesloten EOS-projecten (Energie Onderzoek Subsidie) met het oog op het inspireren, verbinden en versterken van de TKI's (Topconsortia voor Kennis en Innovatie) en individuele bedrijven en onderzoekers die werken aan energie-innovatie. Dit rapport betreft het onderzoek naar bio-energie.

Bio-energy. Innovators talking; Bio-energie. Innovators aan het woord

Energy Technology Data Exchange (ETDEWEB)

NONE

2013-02-15

Qualitative studies have been conducted of the results of completed projects focused on energy innovation, spread over the seven themes of the top sector Energy: Energy saving in industry, Energy conservation in the built environment, Gas, Bio-energy, Smart grids, Offshore Wind, Solar PV. This provides insight into the follow-up activities and lessons of some EOS (Energy Research Subsidy) completed projects with the aim to inspire, connect and strengthen the TKIs (Topconsortia for Knowledge and Innovation) and individual companies and researchers working on energy innovation. This report concerns the research on bio-energy [Dutch] Er is een kwalitatief onderzoek uitgevoerd naar de resultaten van afgeronde projecten gericht op energie-innovatie, verdeeld over de zeven thema's van de topsector Energie: Energiebesparing in de industrie; Energiebesparing in de gebouwde omgeving; Gas; Bio-energie; Smart grids; Wind op zee; Zon-pv. Daarmee wordt inzicht gegeven in de vervolgactiviteiten en lessen van een aantal afgesloten EOS-projecten (Energie Onderzoek Subsidie) met het oog op het inspireren, verbinden en versterken van de TKI's (Topconsortia voor Kennis en Innovatie) en individuele bedrijven en onderzoekers die werken aan energie-innovatie. Dit rapport betreft het onderzoek naar bio-energie.

Mechanisms of reactions of organoaluminium compounds with alkenes and alkynes catalyzed by Zr complexes

International Nuclear Information System (INIS)

Parfenova, L V; Khalilov, Leonard M; Dzhemilev, Usein M

2012-01-01

The results of studies dealing with mechanisms of hydro-, carbo- and cycloalumination of alkenes and alkynes catalyzed by zirconium complexes are generalized and systematized for the first time. Data about the structures of intermediates responsible for the formation of the target compounds are presented and the available data on the effect of the structure of organoaluminium compounds and the electronic and steric factors determining the catalytic activity of metal complexes in these reactions are considered in detail. Much attention is paid to studies of the influence of reaction conditions on the chemo-, regio- and stereoselectivity of the Zr-containing complex catalysts. The bibliography includes 217 references.

The oxidative response and viable reaction mechanism of the textile dyes by fenton reagent

International Nuclear Information System (INIS)

Masooda, Q.; Hijira, T.; Sitara, M.; Sehar, M.; Sundus, A.; Mohsin, A.

2017-01-01

The mechanism of the degradation of the Reactive Red 239 and Reactive Blue 19 by Fenton reagent was studied by advanced oxidation process in aqueous medium. The spectroscopic technique was adopted for the measurements of dye concentration. Moreover they were determined at 540 nm and 590 nm, respectively. Kinetics of the reaction was studied under the effect of concentration of reactive dyes, concentration of oxidant were followed under pseudo first order condition and found to influence the catalytic mechanism. The pH of the medium, vibrant response of several cations and anions and influence of ionic strength on the reaction kinetics were also monitored. Physical evidences for the degradation and mineralization of the dyes were evaluated by Lime water test, Ring Test and TLC test also confirmed the degradation of dye. Inhibitory effects of dyes were observed by CO3-, HCO3-, HPO42-, Cl-, I- Al3+ and Na+. Thermodynamic activation parameters in the oxidation reaction were studied and mode of mechanism was suggested on the basic of these parameters. This study explored the safe and eco friendly degradation of the textile dyes under Pseudo first order rate constant. It was observed that Fenton assisted degradation of the dyes under controlled conditions was found to be favorable for the treatment of textile wastewater. Moreover compared to other chemical methods it is effective and harmless to the environment. (author)

Catalysis and luminescence in mechanically activated polymers

NARCIS (Netherlands)

Jakobs, R.T.M.

2013-01-01

Mechanochemistry refers to chemical reactions that are induced by the direct absorption of mechanical energy. In this respect, mechanical energy can be seen as an alternative method of supplying energy to promote chemical reactions, alongside thermal energy, electrical energy and (photo)chemical

Reaction Mechanisms of Magnesium Potassium Phosphate Cement and its Application

Science.gov (United States)

Qiao, Fei

Magnesium potassium phosphate cement (MKPC) is a kind of cementitious binder in which the chemical bond is formed via a heterogeneous acid-base reaction between dead burned magnesia powder and potassium phosphate solution at room temperature. Small amount of boron compounds can be incorporated in the cement as a setting retarder. The final reaction product of MgO-KH2PO4-H 2O ternary system is identified as magnesium potassium phosphate hexahydrate, MgKPO4·6H2O. However, the mechanisms and procedures through which this crystalline product is formed and the conditions under which the crystallization process would be influenced are not yet clear. Understanding of the reaction mechanism of the system is helpful for developing new methodologies to control the rapid reaction process and furthermore, to adjust the phase assemblage of the binder, and to enhance the macroscopic properties. This study is mainly focused on the examination of the reaction mechanism of MKPC. In addition, the formulation optimization, microstructure characterization and field application in rapid repair are also systematically studied. The chemical reactions between magnesia and potassium dihydrogen phosphate are essentially an acid-base reaction with strong heat release, the pH and temperature variation throughout the reaction process could provide useful information to disclose the different stages in the reaction. However, it would be very difficult to conduct such tests on the cement paste due to the limited water content and fast setting. In the current research, the reaction mechanism of MKPC is investigated on the diluted MKPC system through monitoring the pH and temperature development, identification of the solid phase formed, and measurement of the ionic concentration of the solution. The reaction process can be explained as follows: when magnesia and potassium phosphate powder are mixed with water, phosphate is readily dissolved, which is instantly followed by the dissociation of

Catalytic Hydrotreatment of Light Distillates Obtained from Bio-Oil for Use in Oxygenated Liquid Fuels

Directory of Open Access Journals (Sweden)

Xianwei Zheng

2015-06-01

Full Text Available Bio-oil can be fractionated into three parts according to their boiling points. This research reported that light distillates could be converted into oxygenated liquid fuels through a two-stage hydrotreatment approach, using a Pd/C catalyst. The main goal of the first hydrotreatment stage was to stabilize the high active components, which contained carbon–carbon double bonds and aldehyde groups. The second hydrotreatment stage aimed to saturate the components with benzene rings and keto groups, resulting in saturated oxygenated compounds. The H/Ceff ratio was improved greatly after the two-stage hydrotreatment, increasing from 0.51 (in the reactant to 1.67 (in the final products. The high heating value of the final products was 31.63 MJ/kg. After the two-stage hydrotreatment, the main products were C5–C9 alcohols, which were tested via gas chromatography–mass spectrometry. The products could be blended with gasoline directly. Based on the experiments regarding the hydrogenated model compounds, a reaction schematic for the two-stage hydrotreatment was created. Moreover, the bio-oil hydrotreatment kinetics were investigated. The order of the hydrotreatment reaction was 2.0, and the apparent activation energy (Ea was 57.29 KJ/mol.

Comparison of a two-body threshold (π,2π) reaction mechanism with the usual one-body mechanism in the deuteron

International Nuclear Information System (INIS)

Rockmore, R.

1984-01-01

A two-body threshold (π +- ,π +- π -+ ) reaction mechanism is suggested in direct analogy with pion absorption. The mechanism involves boson rescattering via Δ excitation. The relative importance of this mechanism and the ordinary one-body mechanism in nuclei is studied in the particular case of S-wave deuteron targets. The contribution of the two-body mechanism to the threshold reaction cross section is found to be less than 1% of the simple one-body estimate

Insights into the mechanisms on chemical reactions: reaction paths for chemical reactions

International Nuclear Information System (INIS)

Dunning, T.H. Jr.; Rosen, E.; Eades, R.A.

1987-01-01

We report reaction paths for two prototypical chemical reactions: Li + HF, an electron transfer reaction, and OH + H 2 , an abstraction reaction. In the first reaction we consider the connection between the energetic terms in the reaction path Hamiltonian and the electronic changes which occur upon reaction. In the second reaction we consider the treatment of vibrational effects in chemical reactions in the reaction path formalism. 30 refs., 9 figs

Insecticidal activity of bio-oils and biochar as pyrolysis products and their combination with microbial agents against Agrotis ipsilon (Lepidoptera: Noctuidae)

Science.gov (United States)

Pyrolysis technology for producing biochar and bio-oils can be used as a potential alternative to make biopesticides, which are urgently needed in integrated pest management (IPM). Insecticidal activity of three components of bio-oils: aqueous, organic and their mixture, was evaluated individually a...

BioCreative V BioC track overview: collaborative biocurator assistant task for BioGRID.

Science.gov (United States)

Kim, Sun; Islamaj Doğan, Rezarta; Chatr-Aryamontri, Andrew; Chang, Christie S; Oughtred, Rose; Rust, Jennifer; Batista-Navarro, Riza; Carter, Jacob; Ananiadou, Sophia; Matos, Sérgio; Santos, André; Campos, David; Oliveira, José Luís; Singh, Onkar; Jonnagaddala, Jitendra; Dai, Hong-Jie; Su, Emily Chia-Yu; Chang, Yung-Chun; Su, Yu-Chen; Chu, Chun-Han; Chen, Chien Chin; Hsu, Wen-Lian; Peng, Yifan; Arighi, Cecilia; Wu, Cathy H; Vijay-Shanker, K; Aydın, Ferhat; Hüsünbeyi, Zehra Melce; Özgür, Arzucan; Shin, Soo-Yong; Kwon, Dongseop; Dolinski, Kara; Tyers, Mike; Wilbur, W John; Comeau, Donald C

2016-01-01

BioC is a simple XML format for text, annotations and relations, and was developed to achieve interoperability for biomedical text processing. Following the success of BioC in BioCreative IV, the BioCreative V BioC track addressed a collaborative task to build an assistant system for BioGRID curation. In this paper, we describe the framework of the collaborative BioC task and discuss our findings based on the user survey. This track consisted of eight subtasks including gene/protein/organism named entity recognition, protein-protein/genetic interaction passage identification and annotation visualization. Using BioC as their data-sharing and communication medium, nine teams, world-wide, participated and contributed either new methods or improvements of existing tools to address different subtasks of the BioC track. Results from different teams were shared in BioC and made available to other teams as they addressed different subtasks of the track. In the end, all submitted runs were merged using a machine learning classifier to produce an optimized output. The biocurator assistant system was evaluated by four BioGRID curators in terms of practical usability. The curators' feedback was overall positive and highlighted the user-friendly design and the convenient gene/protein curation tool based on text mining.Database URL: http://www.biocreative.org/tasks/biocreative-v/track-1-bioc/. Published by Oxford University Press 2016. This work is written by US Government employees and is in the public domain in the US.

Upgrading the lubricity of bio-oil via homogeneous catalytic esterification under vacuum distillation conditions

International Nuclear Information System (INIS)

Xu, Yufu; Zheng, Xiaojing; Peng, Yubin; Li, Bao; Hu, Xianguo; Yin, Yanguo

2015-01-01

In order to accelerate the application of bio-oil in the internal combustion engines, homogeneous catalytic esterification technology under vacuum distillation conditions was used to upgrade the crude bio-oil. The lubricities of the crude bio-oil (BO) and refined bio-oil with homogeneous catalytic esterification (RBO hce ) or refined bio-oil without catalyst but with distillation operation (RBO wc ) were evaluated by a high frequency reciprocating test rig according to the ASTM D 6079 standard. The basic physiochemical properties and components of the bio-oils were analyzed. The surface morphology, contents and chemical valence of active elements on the worn surfaces were investigated by scanning electron microscopy, energy dispersive spectroscopy and X-ray photoelectron spectroscopy, respectively. The results show that RBO hce has better lubricities than those of BO, but RBO wc has worse lubricities than those of BO. The tribological mechanisms of the bio-oils are attributed to the combined actions of lubricating films and factors that will break the film. Compared with BO, plenty of phenols in RBO wc results in corrosion of the substrate and destroys the integrity of the lubricating films, which is responsible for its corrosive wear. However, more esters and alkanes in RBO hce contribute to forming a complete boundary lubricating film on the rubbed surfaces which result in its excellent antifriction and antiwear properties. - Highlights: • Refined bio-oil was prepared through homogeneous catalytic esterification technology. • Properties of the bio-oils before and after refining were assessed by HFRR. • Refined bio-oil showed better lubricities than crude bio-oil. • More esters and alkanes in refined bio-oil contributed to forming superior boundary lubrication

Bio politics - The bio-environment - bio-culture of the Danube

International Nuclear Information System (INIS)

Vlavianos-Arvanitis, A.

1997-01-01

The bio-environment has been the single most important correlation in human history and can successfully promote international co-operational co-operation and understanding. With the construction of a network for collaboration, the 'Danube Countries' can come together in celebration of their culture and heritage. As the Danube flows from the Black Forest to the Black Sea, it carries messages of peace, hope and co-operation. Applying these messages to every endeavour can improve our quality of life and lead to a brighter future. Since its inception in 1985, the Bio politics International Organization (B.I.O.) has been labouring to raise awareness of the urgent need to instate a new system of norms and principles, compatible with sound environmental management and with the most important task of ensuring global literacy on environmental issues. Along with critically re-assessing the concept of profit, the goal is to adopt a system of bio centric values, where respect for the bio-environment will govern our every action and thought

Gasoline from biomass through refinery-friendly carbohydrate-based bio-oil produced by ketalization.

Science.gov (United States)

Batalha, Nuno; da Silva, Alessandra V; de Souza, Matheus O; da Costa, Bruna M C; Gomes, Elisa S; Silva, Thiago C; Barros, Thalita G; Gonçalves, Maria L A; Caramão, Elina B; dos Santos, Luciana R M; Almeida, Marlon B B; de Souza, Rodrigo O M A; Lam, Yiu L; Carvalho, Nakédia M F; Miranda, Leandro S M; Pereira, Marcelo M

2014-06-01

The introduction of biomass-derived compounds as an alternative feed into the refinery structure that already exists can potentially converge energy uses with ecological sustainability. Herein, we present an approach to produce a bio-oil based on carbohydrate-derived isopropylidene ketals obtained by reaction with acetone under acidic conditions directly from second-generation biomass. The obtained bio-oil showed a greater chemical inertness and miscibility with gasoil than typical bio-oil from fast pyrolysis. Catalytic upgrading of the bio-oil over zeolites (USY and Beta) yielded gasoline with a high octane number. Moreover, the co-processing of gasoil and bio-oil improved the gasoline yield and quality compared to pure gasoil and also reduced the amount of oxygenated compounds and coke compared with pure bio-oil, which demonstrates a synergistic effect. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Reaction mechanism for the free-edge oxidation of soot by O 2

KAUST Repository

Raj, Abhijeet

2012-11-01

The reaction pathways for the oxidation by O 2 of polycyclic aromatic hydrocarbons present in soot particles are investigated using density functional theory at B3LYP/6-311++G(d,p) level of theory. For this, pyrene radical (4-pyrenyl) is chosen as the model molecule, as most soot models present in the literature employ the reactions involving the conversion of 4-pyrenyl to 4-phenanthryl by O 2 and OH to account for soot oxidation. Several routes for the formation of CO and CO 2 are proposed. The addition of O 2 on a radical site to form a peroxyl radical is found to be barrierless and exothermic with reaction energy of 188kJ/mol. For the oxidation reaction to proceed further, three pathways are suggested, each of which involve the activation energies of 104, 167 and 115kJ/mol relative to the peroxyl radical. The effect of the presence of H atom on a carbon atom neighboring the radical site on the energetics of carbon oxidation is assessed. Those intermediate species formed during oxidation with seven-membered rings or with a phenolic group are found to be highly stable. The rate constants evaluated using transition state theory in the temperature range of 300-3000K for the reactions involved in the mechanism are provided. © 2012 The Combustion Institute.

Reaction mechanism for the free-edge oxidation of soot by O 2

KAUST Repository

Raj, Abhijeet; da Silva, Gabriel; Chung, Suk-Ho

2012-01-01

The reaction pathways for the oxidation by O 2 of polycyclic aromatic hydrocarbons present in soot particles are investigated using density functional theory at B3LYP/6-311++G(d,p) level of theory. For this, pyrene radical (4-pyrenyl) is chosen as the model molecule, as most soot models present in the literature employ the reactions involving the conversion of 4-pyrenyl to 4-phenanthryl by O 2 and OH to account for soot oxidation. Several routes for the formation of CO and CO 2 are proposed. The addition of O 2 on a radical site to form a peroxyl radical is found to be barrierless and exothermic with reaction energy of 188kJ/mol. For the oxidation reaction to proceed further, three pathways are suggested, each of which involve the activation energies of 104, 167 and 115kJ/mol relative to the peroxyl radical. The effect of the presence of H atom on a carbon atom neighboring the radical site on the energetics of carbon oxidation is assessed. Those intermediate species formed during oxidation with seven-membered rings or with a phenolic group are found to be highly stable. The rate constants evaluated using transition state theory in the temperature range of 300-3000K for the reactions involved in the mechanism are provided. © 2012 The Combustion Institute.

Bio-based polyurethane composite foams with inorganic fillers studied by thermogravimetry

International Nuclear Information System (INIS)

Hatakeyema, Hyoe; Tanamachi, Noriko; Matsumura, Hiroshi; Hirose, Shigeo; Hatakeyama, Tatsuko

2005-01-01

Bio-based polyurethane (PU) composite foams filled with various inorganic fillers, such as barium sulfate (BaSO 4 ), calcium carbonate (CaCO 3 ) and talc were prepared using polyols, such as diethylene glycol, triethylene glycol and polyethylene glycol (molecular weight ca. 200) containing molasses and lignin. Reactive hydroxyl groups in plant components and above polyols were used as reaction sites. Morphological observation of fracture surface of composites was carried out by scanning electron microscopy. Thermal properties of bio-based PU composites were examined by thermogravimetry. It was found that the above composites decompose in two stages reflecting decomposition of organic components. Decomposition temperature increased with increasing filler content, when plant components were homogenously mixed with inorganic fillers. Activation energy calculated by Ozawa-Wall-Flynn method was ca. 150 kJ mol -1 . The durability of composites was predicted using kinetic data. Calculated values indicate that composites with fillers are more durable than that of those without fillers at a moderate temperature region

Mechanism to preserve phrenic nerve function during photosensitization reaction: drug uptake and photosensitization reaction effect on electric propagation

Science.gov (United States)

Takahashi, Haruka; Hamada, Risa; Ogawa, Emiyu; Arai, Tsunenori

2018-02-01

To study a mechanism of phrenic nerve preservation phenomena during a photosensitization reaction, we investigated an uptake of talaporfin sodium and photosensitization reaction effect on an electric propagation. Right phrenic nerve was completely preserved after superior vena cava isolations using the photosensitization reaction in canine animal experiments, in spite of adjacent myocardium was electrically blocked. We predicted that low drug uptake and/or low photosensitization reaction effect on the nerve might be a mechanism of that phenomena. To investigate uptake to various nerve tissue, a healthy extracted crayfish ventral nerve cord and an extracted porcine phrenic nerve were immersed in 20 μg/ml talaporfin sodium solution for 0-240 min. The mean talaporfin sodium fluorescence brightness increased depending on the immersion time. This brightness saturated around the immersion time of 120 min. We found that talaporfin sodium uptake inside the perineurium which directly related to the electric propagation function was lower than that of outside in the porcine phrenic nerve. To investigate photosensitization reaction effect on electric propagation, the crayfish nerve was immersed into the same solution for 15 min and irradiated by a 663 nm laser light with 120 mW/cm2. Since we found the action potential disappeared when the irradiation time was 25-65 s, we consider that the crayfish nerve does not tolerant to the photosensitization reaction on electric propagation function at atmospheric pressure. From these results, we think that the low uptake of talaporfin sodium inside the perineurium and low oxygen partial pressure of nerve might be the possible mechanism to preserve phrenic nerve in vivo.

A multi-level quantum mechanics and molecular mechanics study of SN2 reaction at nitrogen: NH2Cl + OH(-) in aqueous solution.

Science.gov (United States)

Lv, Jing; Zhang, Jingxue; Wang, Dunyou

2016-02-17

We employed a multi-level quantum mechanics and molecular mechanics approach to study the reaction NH2Cl + OH(-) in aqueous solution. The multi-level quantum method (including the DFT method with both the B3LYP and M06-2X exchange-correlation functionals and the CCSD(T) method, and both methods with the aug-cc-pVDZ basis set) was used to treat the quantum reaction region in different stages of the calculation in order to obtain an accurate potential of mean force. The obtained free energy activation barriers at the DFT/MM level of theory yielded a big difference of 21.8 kcal mol(-1) with the B3LYP functional and 27.4 kcal mol(-1) with the M06-2X functional respectively. Nonetheless, the barrier heights become very close when shifted from DFT to CCSD(T): 22.4 kcal mol(-1) and 22.9 kcal mol(-1) at CCSD(T)(B3LYP)/MM and CCSD(T)(M06-2X)/MM levels of theory, respectively. The free reaction energy obtained using CCSD(T)(M06-2X)/MM shows an excellent agreement with the one calculated using the available gas-phase data. Aqueous solution plays a significant role in shaping the reaction profile. In total, the water solution contributes 13.3 kcal mol(-1) and 14.6 kcal mol(-1) to the free energy barrier heights at CCSD(T)(B3LYP)/MM and CCSD(T)(M06-2X)/MM respectively. The title reaction at nitrogen is a faster reaction than the corresponding reaction at carbon, CH3Cl + OH(-).

Reaction mechanism in high energy heavy-ion collisions

International Nuclear Information System (INIS)

Tanihata, Isao.

1982-04-01

The reaction mechanism in high energy heavy-ion collision is discussed. The discussion is mainly based on the experimental data. Empirical equations have been given for the total cross-sections of nucleus-nucleus reactions and the reaction cross-sections. These cross-sections are well described by the geometrical size of the colliding nuclei. The cross-sections are also understood by microscopic calculation. The charged particle multiplicity gives additional information about the geometrical aspect of heavy ion collision. The data suggested that the total energy, independent of projectile size, is most important for determining the multiplicity. The inclusive proton spectrum in a heavy ion collision showed two distinct regions. The one is the fragment region, and the other the participant region. The spectral shapes of inclusive pion spectra are reasonably well explained by the Coulomb interaction of pions with nuclear fragments. The high energy heavy ion reaction occurs in the overlap region of the projectile and target. This has been tested by measuring the number of participants for various reactions. The space and the time structure of the collision are also discussed in this paper as well as the dynamical aspects of the collision. (Kato, T.)

High resolution studies of pion-nucleus reaction mechanism

International Nuclear Information System (INIS)

Morris, C.L.

1983-01-01

Pion inelastic scattering is generally well described as a first order process using the DWIA. This is especially true for a large body of inelastic scattering data to low-lying collective states which is well-described by form factors obtained in (e,e') and the DWIA. Some data for which this model does not work are presented. Higher order reaction mechanisms have been invoked to explain some of these data. However, no model of these second order processes gives a satisfactory explanation of the entire data set. Experimentally, more data for pion-induced transitions to low-spin unnatural-parity states which have been studied by other probes would be useful in sorting out the reaction mechanisms responsible for the anomalous cross sections observed for the 1 + states in 12 C. Theoretically, a consistent evaluation of possible second-order diagrams in inelastic scattering, such as is being attempted for DCX 22 , would be useful

Novel support effects on the mechanism of propene-deuterium: Addition and exchange reactions over dispersed ZrO2

International Nuclear Information System (INIS)

Naito, Shuichi; Tanimoto, Mitsutoshi

1995-01-01

The effect on the rate and mechanisms of propene-deuterium reactions of dispersing ZrO 2 on various supports such as silica, alumina, and titanium dioxide has been studied by microwave spectroscopic analysis of monodeuteropropene as well as by kinetic investigation. By dispersal of ZrO 2 on these supports, the rate of the C 3 H 6 -D 2 reactions is increased considerbly compared to that over unsupported ZrO 2 , with the decrease of activation energy. Hydrogen exchange in propene proceeds simultaneously with addition via the associative mechanism through n-propyl and s-propyl intermediates. Through XPS analysis of ZrO 2 /SiO 2 , it was found that a monolayer of ZrO 2 is formed over the silica support. The monolayer catalyst exhibits catalytic behavior quite different from that of unsupported ZrO 2 . On the other hand, alumina surfaces modified by ZrO 2 layers may be the main active sites in the case of ZrO 2 /Al 2 O 3 . The marked enhancement of the reaction rate in the lower loading region of ZrO 2 /TiO 2 may be explained by the strong interaction of atomically dispersed zirconium ions with active centers on TiO 2 . 28 refs., 10 figs., 1 tab

Real-time investigation of human topoisomerase I reaction kinetics using an optical sensor: a fast method for drug screening and determination of active enzyme concentrations.

Science.gov (United States)

Kristoffersen, Emil L; Jørgensen, Line A; Franch, Oskar; Etzerodt, Michael; Frøhlich, Rikke; Bjergbæk, Lotte; Stougaard, Magnus; Ho, Yi-Ping; Knudsen, Birgitta R

2015-06-07

Human DNA topoisomerase I (hTopI) is a nuclear enzyme that catalyzes relaxation of super helical tension that arises in the genome during essential DNA metabolic processes. This is accomplished through a common reaction mechanism shared among the type IB topoisomerase enzymes, including eukaryotic and poxvirus topoisomerase I. The mechanism of hTopI is specifically targeted in cancer treatment using camptothecin derivatives. These drugs convert the hTopI activity into a cellular poison, and hence the cytotoxic effects of camptothecin derivatives correlate with the hTopI activity. Therefore, fast and reliable techniques for high throughput measurements of hTopI activity are of high clinical interest. Here we demonstrate potential applications of a fluorophore-quencher based DNA sensor designed for measurement of hTopI cleavage-ligation activities, which are the catalytic steps affected by camptothecin. The kinetic analysis of the hTopI reaction with the DNA sensor exhibits a characteristic burst profile. This is the result of a two-step ping-pong reaction mechanism, where a fast first reaction, the one creating the signal, is followed by a slower second reaction necessary for completion of the catalytic cycle. Hence, the burst profile holds information about two reactions in the enzymatic mechanism. Moreover, it allows the amount of active enzyme in the reaction to be determined. The presented results pave the way for future high throughput drug screening and the potential of measuring active hTopI concentrations in clinical samples for individualized treatment.

Mechanism of Corrosion of Activated Aluminum Particles by Hot Water

International Nuclear Information System (INIS)

Razavi-Tousi, S.S.; Szpunar, J.A.

2014-01-01

Mechanism of corrosion in aluminum particles by hot water treatment for hydrogen generation is evaluated. The aluminum powder was activated by ball milling for different durations, which modified size and microstructure of the particles. Open circuit potential test was carried out to elucidate different stages of the reaction. Tafel test was used to explain the effect of ball milling and growth of hydroxide layer on corrosion of the particles. Surface, cross section and thickness of the grown hydroxide on the aluminum particles were studied in a scanning electron microscope. The corrosion potential of the aluminum powders depends on microstructure of the aluminum particles, growth of the hydroxide layer and a change in pH because of cathodic reactions. The hydrogen production test showed that a deformed microstructure and smaller particle size accelerates the corrosion rate of aluminum by hot water, the effect of the deformed microstructure being more significant at the beginning of the reaction. Effect of growth of the hydroxide layer on corrosion mechanism is discussed

Development of Bioorthogonal Reactions and Their Applications in Bioconjugation

Directory of Open Access Journals (Sweden)

Mengmeng Zheng

2015-02-01

Full Text Available Biomolecule labeling using chemical probes with specific biological activities has played important roles for the elucidation of complicated biological processes. Selective bioconjugation strategies are highly-demanded in the construction of various small-molecule probes to explore complex biological systems. Bioorthogonal reactions that undergo fast and selective ligation under bio-compatible conditions have found diverse applications in the development of new bioconjugation strategies. The development of new bioorthogonal reactions in the past decade has been summarized with comments on their potentials as bioconjugation method in the construction of various biological probes for investigating their target biomolecules. For the applications of bioorthogonal reactions in the site-selective biomolecule conjugation, examples have been presented on the bioconjugation of protein, glycan, nucleic acids and lipids.

Oil extracted from spent coffee grounds for bio-hydrotreated diesel production

International Nuclear Information System (INIS)

Phimsen, Songphon; Kiatkittipong, Worapon; Yamada, Hiroshi; Tagawa, Tomohiko; Kiatkittipong, Kunlanan; Laosiripojana, Navadol; Assabumrungrat, Suttichai

2016-01-01

Highlights: • The spent coffee oil with high FFAs was hydrotreated to liquid biofuel. • Pd/C gave higher olefins while NiMo/γ-Al_2O_3 gave higher isoparaffins liquid products. • The diesel fuel fraction can have a cetane number as high as 80. • The physiochemical properties of diesel fraction comply with commercial standard. - Abstract: Oil extracted from spent coffee grounds is utilized as a renewable source for bio-hydrotreated fuel production. In the present work, oil yield up to 13% can be obtained by Soxhlet extraction with hexane as a solvent. As the extracted oil contained high content of free fatty acids (6.14%), therefore one step alkali-catalyzed for ester based biodiesel production is impractical. Hydrotreating of extracted oil was performed over two catalysts i.e. NiMo/γ-Al_2O_3 and Pd/C with different operating parameters i.e. reaction time, operating temperature, and H_2/oil. It was found that the reaction time of 2 h and the reaction temperature of 400 °C are favorable operating conditions. The liquid products mostly consisted of n-pentadecane and n-heptadecane, which contain one carbon atom shorter than the corresponding fatty acid (C_n_−_1) i.e. palmitic and stearic acid, respectively. Unfavorable cracking of diesel product is pronounced at high temperature and prolonged reaction time. In addition, although increased H_2/oil promoted overall reaction and hydrodeoxygenation activity (C_n_−_1/C_n decreased) for both catalysts, hydrocracking is enhanced over Pd/C, leading to significant increase in gasoline yield. Moreover, Pd/C gave higher olefin content in liquid product (22.3 wt%) than NiMo/γ-Al_2O_3 (4.8 wt%). However, NiMo/γ-Al_2O_3 shows higher isomerization activity. The amount of isoparaffins catalyzed by NiMo/γ-Al_2O_3 and Pd/C were 10.8 and 1.7 wt%, respectively. Physiochemical analysis of the diesel fraction exhibit satisfactory properties. The density and kinematic viscosity were consistent with the specification of

Structure and Reaction Mechanism of Pyrrolysine Synthase (PylD)

KAUST Repository

Quitterer, Felix; Beck, Philipp; Bacher, Adelbert; Groll, Michael

2013-01-01

The final step in the biosynthesis of the 22nd genetically encoded amino acid, pyrrolysine, is catalyzed by PylD, a structurally and mechanistically unique dehydrogenase. This catalyzed reaction includes an induced-fit mechanism achieved by major structural rearrangements of the N-terminal helix upon substrate binding. Different steps of the reaction trajectory are visualized by complex structures of PylD with substrate and product. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Structure and Reaction Mechanism of Pyrrolysine Synthase (PylD)

KAUST Repository

Quitterer, Felix

2013-05-29

The final step in the biosynthesis of the 22nd genetically encoded amino acid, pyrrolysine, is catalyzed by PylD, a structurally and mechanistically unique dehydrogenase. This catalyzed reaction includes an induced-fit mechanism achieved by major structural rearrangements of the N-terminal helix upon substrate binding. Different steps of the reaction trajectory are visualized by complex structures of PylD with substrate and product. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Bio- and chemiluminescence imaging in analytical chemistry

International Nuclear Information System (INIS)

Roda, Aldo; Guardigli, Massimo; Pasini, Patrizia; Mirasoli, Mara; Michelini, Elisa; Musiani, Monica

2005-01-01

Bio- and chemiluminescence imaging techniques combine the high sensitivity of bio- and chemiluminescence detection with the ability of current light imaging devices to localize and quantify light emission down to the single-photon level. These techniques have been successfully exploited for the development of sensitive analytical methods relying on the evaluation of the spatial distribution of the light emitted from a target sample. In this paper, we report on recent applications of bio- and chemiluminescence imaging for in vitro and in vivo assays, including: quantitative assays performed in various analytical formats, such as microtiter plates, microarrays and miniaturized analytical devices, used in the pharmaceutical, clinical, diagnostic and environmental fields; luminescence imaging microscopy based on enzymatic, immunohistochemical and in situ hybridization reactions for the localization of metabolites, enzymes, antigens and gene sequences in cells and tissues; whole-body luminescence imaging in live animals for evaluating biological and pathological processes and for pharmacological studies

Upgrading low-boiling-fraction fast pyrolysis bio-oil using supercritical alcohol: Understanding alcohol participation, chemical composition, and energy efficiency

International Nuclear Information System (INIS)

Jo, Heuntae; Prajitno, Hermawan; Zeb, Hassan; Kim, Jaehoon

2017-01-01

Highlights: • Non-catalytic and non-hydrogen based bio-oil upgrading was conducted using scMeOH. • 16–40 wt% alcohols were consumed during the upgrading. • High bio-oil yield of 78.4 wt% and low TAN of 4.0 mg KOH/g were achieved. • Effect of supercritical alcohols, reaction times, temperature and bio-oil concentration was conducted. • scMeOH upgrading has good energy recovery (ER) and energy efficiency (EE) compared with scEtOH and scIPA. - Abstract: Herein, a supercritical methanol (scMeOH) route for efficient upgrading of the low-boiling fraction of fast pyrolysis bio-oil containing a large amount of low-molecular-weight acids and water was investigated. The effects of various reaction parameters, including the temperature, concentration, and time, were explored. The yield of bio-oil and the energy efficiency of the scMeOH upgrading process were determined based on the amount of methanol that participated in the reaction during upgrading and fractionation of the upgraded heavy-fraction bio-oils (UHBOs) and upgraded light-fraction bio-oils (ULBOs). Upgrading at 400 °C with 9.1 wt% bio-oil for 30 min generated a high bio-oil yield of 78.4 wt% with a low total acid number (TAN) of 4.0 mg-KOH/g-oil and a higher heating value of 29.9 MJ kg −1 . The energy recovery (ER) was 94–131% and the energy efficiency (EE) was in the range of 79–109% depending on the calorific values of the ULBOs. Compared with upgrading in supercritical ethanol and supercritical isopropanol, less alcohol participation, a lower TAN, and higher ER and EE were achieved with scMeOH upgrading. Plausible pathways for bio-oil upgrading in supercritical alcohols based on detailed compositional analysis of the UHBO, ULBO, and gaseous products were discussed.

An active electrode for biopotential recording from small localized bio-sources

Directory of Open Access Journals (Sweden)

Pallikarakis Nicolas E

2004-07-01

Full Text Available Abstract Background Laser bio-stimulation is a well-established procedure in Medical Acupuncture. Nevertheless there is still a confusion as to whether it works or the effect is just placebo. Although a plethora of scientific papers published, showing positive clinical results, there is still a lack of objective scientific proofs about the bio-stimulation effect of lasers used in Acupuncture. The objective of this work was to design and build a body surface electrode and an amplifier for biopotential recording from acupuncture points, considered here as small localized bio-sources (SLB. The design is aimed for studying SLB potentials provoked by laser stimulus, in search for objective proofs of the bio-stimulation effect of lasers used in Medical Acupuncture. Methods The active electrode presented features a new adjustable anchoring system and fractionation of the biopotential amplifier between the electrode and the cabinet's location. The new adjustable electrode anchoring system is designed to reduce the electrode-skin contact impedance, its variation and motion artifacts. That is achieved by increasing the electrode-skin tension and decreasing its relative movement. Additionally the sensing element provides local constant skin stretching thus eliminating the contribution of the skin potential artifact. The electrode is attached to the skin by a double-sided adhesive pad, where the sensing element is a stainless steel, 4 mm in diameter. The fractionation of the biopotential amplifier is done by incorporating the amplifier's front-end op-amps at the electrodes, thus avoiding the use of extra buffers. The biopotential amplifier features two selectable modes of operation: semi-AC-mode with a -3 dB bandwidth of 0.32–1000 Hz and AC-mode with a bandwidth of 0.16–1000 Hz. Results The average measured DC electrode-skin contact impedance of the proposed electrode was 450 kΩ, with electrode tension of 0.3 kg/cm2 on an unprepared skin of the inner

Revealing the reaction mechanisms of Li–O2 batteries using environmental transmission electron microscopy