A Simple Refraction Experiment for Probing Diffusion in Ternary Mixtures

ERIC Educational Resources Information Center

Coutinho, Cecil A.; Mankidy, Bijith D.; Gupta, Vinay K.

2010-01-01

Diffusion is a fundamental phenomenon that is vital in many chemical processes such as mass transport in living cells, corrosion, and separations. We describe a simple undergraduate-level experiment based on Weiner's Method to probe diffusion in a ternary aqueous mixture of small molecular-weight molecules. As an illustration, the experiment…

Dynamic control and information processing in chemical reaction systems by tuning self-organization behavior

NASA Astrophysics Data System (ADS)

Lebiedz, Dirk; Brandt-Pollmann, Ulrich

2004-09-01

Specific external control of chemical reaction systems and both dynamic control and signal processing as central functions in biochemical reaction systems are important issues of modern nonlinear science. For example nonlinear input-output behavior and its regulation are crucial for the maintainance of the life process that requires extensive communication between cells and their environment. An important question is how the dynamical behavior of biochemical systems is controlled and how they process information transmitted by incoming signals. But also from a general point of view external forcing of complex chemical reaction processes is important in many application areas ranging from chemical engineering to biomedicine. In order to study such control issues numerically, here, we choose a well characterized chemical system, the CO oxidation on Pt(110), which is interesting per se as an externally forced chemical oscillator model. We show numerically that tuning of temporal self-organization by input signals in this simple nonlinear chemical reaction exhibiting oscillatory behavior can in principle be exploited for both specific external control of dynamical system behavior and processing of complex information.

Study of simple CFRP-metal joint failure

NASA Astrophysics Data System (ADS)

Cheng, Jingquan; Rodriguez, Antonio; Emerson, Nicolas; Symmes, Arthur

2008-07-01

In millimeter wavelength telescope design and construction, there have been a number of mysterious failures of simple CFRF-metal joints. Telescope designers have not had satisfactory interpretations of these failures. In this paper, factors which may influence the failure of joints are discussed. These include stress concentration, material creep, joint fatigue, reasons related to chemical process and manufacture process. Extrapolation formulas for material creep, joint fatigue, and differential thermal stresses are derived in this paper. Detailed chemical and manufacturing factors are also discussed. All these issues are the causes of a number of early failures under a loading which is significantly lower than the strength of adhesives used. For ensuring reliability of a precision instrument structure joint, the designer should have a thorough understanding of all these factors.

Using Visualization and Computation in the Analysis of Separation Processes

ERIC Educational Resources Information Center

Joo, Yong Lak; Choudhary, Devashish

2006-01-01

For decades, every chemical engineer has been asked to have a background in separations. The required separations course can, however, be uninspiring and superficial because understanding many separation processes involves conventional graphical methods and commercial process simulators. We utilize simple, user-­friendly mathematical software,…

A Simple Experiment for Teaching Process Intensification by Static Mixing in Chemical Reaction Engineering

ERIC Educational Resources Information Center

Baz-Rodríguez, Sergio; Herrera-Soberanis, Natali; Rodríguez-Novelo, Miguel; Guillén-Francisc, Juana; Rocha-Uribe, José

2016-01-01

An experiment for teaching mixing intensification in reaction engineering is described. For this, a simple tubular reactor was constructed; helical static mixer elements were fabricated from stainless steel strips and inserted into the reactor. With and without the internals, the equipment operates as a static mixer reactor or a laminar flow…

Control of laser-ablated aluminum surface wettability to superhydrophobic or superhydrophilic through simple heat treatment or water boiling post-processing

NASA Astrophysics Data System (ADS)

Ngo, Chi-Vinh; Chun, Doo-Man

2018-03-01

Recently, controlling the wettability of a metallic surface so that it is either superhydrophobic or superhydrophilic has become important for many applications. However, conventional techniques require long fabrication times or involve toxic chemicals. Herein, through a combination of pulse laser ablation and simple post-processing, the surface of aluminum was controlled to either superhydrophobic or superhydrophilic in a short time of only a few hours. In this study, grid patterns were first fabricated on aluminum using a nanosecond pulsed laser, and then additional post-processing without any chemicals was used. Under heat treatment, the surface became superhydrophobic with a contact angle (CA) greater than 150° and a sliding angle (SA) lower than 10°. Conversely, when immersed in boiling water, the surface became superhydrophilic with a low contact angle. The mechanism for wettability change was also explained. The surfaces, obtained in a short time with environmentally friendly fabrication and without the use of toxic chemicals, could potentially be applied in various industry and manufacturing applications such as self-cleaning, anti-icing, and biomedical devices.

Hollow nanocrystals and method of making

DOEpatents

Alivisatos, A Paul [Oakland, CA; Yin, Yadong [Moreno Valley, CA; Erdonmez, Can Kerem [Berkeley, CA

2011-07-05

Described herein are hollow nanocrystals having various shapes that can be produced by a simple chemical process. The hollow nanocrystals described herein may have a shell as thin as 0.5 nm and outside diameters that can be controlled by the process of making.

Adding Another Dimension With Holography.

ERIC Educational Resources Information Center

McNair, Rita H.; Rice, Dale R.

1984-01-01

Provides instructions for preparing, processing, and viewing single-beam reflection holograms in science classrooms. Indicates that the process is simple to demonstrate and moderate in cost. A description of the required equipment (optics table, laser, mirrors, lens, filmholder/plateholder, recording materials, and darkroom chemicals/equipment) is…

A Design Basis for Spacecraft Cabin Trace Contaminant Control

NASA Technical Reports Server (NTRS)

Perry, Jay L.

2009-01-01

Successful trace chemical contamination control is one of the components necessary for achieving good cabin atmospheric quality. While employing seemingly simple process technologies, sizing the active contamination control equipment must employ a reliable design basis for the trace chemical load in the cabin atmosphere. A simplified design basis that draws on experience gained from the International Space Station program is presented. The trace chemical contamination control design load refines generation source magnitudes and includes key chemical functional groups representing both engineering and toxicology challenges.

Dynamic optimization of chemical processes using ant colony framework.

PubMed

Rajesh, J; Gupta, K; Kusumakar, H S; Jayaraman, V K; Kulkarni, B D

2001-11-01

Ant colony framework is illustrated by considering dynamic optimization of six important bench marking examples. This new computational tool is simple to implement and can tackle problems with state as well as terminal constraints in a straightforward fashion. It requires fewer grid points to reach the global optimum at relatively very low computational effort. The examples with varying degree of complexities, analyzed here, illustrate its potential for solving a large class of process optimization problems in chemical engineering.

The Painting-Sponging Analogy for Chemical Equilibrium

NASA Astrophysics Data System (ADS)

Gamitz, Adoni

1997-05-01

An analogy for chemical equilibrium is presented, in which high school or younger students can follow the advance towards equilibrium and its final dynamic nature. The relative opposition between forward and backward processes in a real chemical reaction is exemplified by the distance of a road line that is painted by one person and erased by another, both with different skills and working speeds. The graphical results of the progress of the line distance is entirely similar to the increasing of products concentration in a chemical reaction starting from the reactants. In the analogy, the final equilibrium position is independent of the starting point, as well as in a real chemical process. A simple basic program is included for interactive learning purposes.

Simple, green, and clean removal of a poly(methyl methacrylate) film on chemical vapor deposited graphene

NASA Astrophysics Data System (ADS)

Park, J.-H.; Jung, W.; Cho, D.; Seo, J.-T.; Moon, Y.; Woo, S. H.; Lee, C.; Park, C.-Y.; Ahn, J. R.

2013-10-01

The clean removal of a poly(methyl methacrylate) (PMMA) film on graphene has been an essential part of the process of transferring chemical vapor deposited graphene to a specific substrate, influencing the quality of the transferred graphene. Here we demonstrate that the clean removal of PMMA can be achieved by a single heat-treatment process without the chemical treatment that was adopted in other methods of PMMA removal. The cleanness of the transferred graphene was confirmed by four-point probe measurements, synchrotron radiation x-ray photoemission spectroscopy, optical images, and Raman spectroscopy.

Making Difficult Things Easy and Easy Things Difficult.

ERIC Educational Resources Information Center

Campbell, J. Arthur; Bent, Henry A.

1982-01-01

Suggestions are offered to illustrate concepts and processes by using simple materials such as paper, paper clip, rubber band (bonding, entropy, endothermic processes). Also suggests using basic terminology: elementary ratios, percent, reaction chemistry for entropy function; equilibrium constants for Gibbs energies; and chemical mechanics for…

EVALUATING THE ECONOMICS AND ENVIRONMENTAL FRIENDLINESS OF NEWLY DESIGNED OR RETROFITTED CHEMICAL PROCESSES

EPA Science Inventory

This work describes a method for using spreadsheet analyses of process designs and retrofits to provide simple and quick economic and environmental evaluations simultaneously. The method focuses attention onto those streams and components that have the largest monetary values and...

A Simple Model to Quantify Radiolytic Production following Electron Emission from Heavy-Atom Nanoparticles Irradiated in Liquid Suspensions.

PubMed

Wardlow, Nathan; Polin, Chris; Villagomez-Bernabe, Balder; Currell, Fred

2015-11-01

We present a simple model for a component of the radiolytic production of any chemical species due to electron emission from irradiated nanoparticles (NPs) in a liquid environment, provided the expression for the G value for product formation is known and is reasonably well characterized by a linear dependence on beam energy. This model takes nanoparticle size, composition, density and a number of other readily available parameters (such as X-ray and electron attenuation data) as inputs and therefore allows for the ready determination of this contribution. Several approximations are used, thus this model provides an upper limit to the yield of chemical species due to electron emission, rather than a distinct value, and this upper limit is compared with experimental results. After the general model is developed we provide details of its application to the generation of HO• through irradiation of gold nanoparticles (AuNPs), a potentially important process in nanoparticle-based enhancement of radiotherapy. This model has been constructed with the intention of making it accessible to other researchers who wish to estimate chemical yields through this process, and is shown to be applicable to NPs of single elements and mixtures. The model can be applied without the need to develop additional skills (such as using a Monte Carlo toolkit), providing a fast and straightforward method of estimating chemical yields. A simple framework for determining the HO• yield for different NP sizes at constant NP concentration and initial photon energy is also presented.

Chemical Evolution of a Protoplanetary Disk

NASA Astrophysics Data System (ADS)

Semenov, Dmitry A.

2011-12-01

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

Selective electroless plating of 3D-printed plastic structures for three-dimensional microwave metamaterials

NASA Astrophysics Data System (ADS)

Ishikawa, Atsushi; Kato, Taiki; Takeyasu, Nobuyuki; Fujimori, Kazuhiro; Tsuruta, Kenji

2017-10-01

A technique of selective electroless plating onto PLA-ABS (Polylactic Acid-Acrylonitrile Butadiene Styrene) composite structures fabricated by three-dimensional (3D) printing is demonstrated to construct 3D microwave metamaterials. The reducing activity of the PLA surface is selectively enhanced by the chemical modification involving Sn2+ in a simple wet process, thereby forming a highly conductive Ag-plated membrane only onto the PLA surface. The fabricated metamaterial composed of Ag-plated PLA and non-plated ABS parts is characterized experimentally and numerically to demonstrate the important bi-anisotropic microwave responses arising from the 3D nature of metallodielectric structures. Our approach based on a simple wet chemical process allows for the creation of highly complex 3D metal-insulator structures, thus paving the way toward the sophisticated microwave applications of the 3D printing technology.

A series of simple oligomer-like small molecules based on oligothiophenes for solution-processed solar cells with high efficiency.

PubMed

Kan, Bin; Li, Miaomiao; Zhang, Qian; Liu, Feng; Wan, Xiangjian; Wang, Yunchuang; Ni, Wang; Long, Guankui; Yang, Xuan; Feng, Huanran; Zuo, Yi; Zhang, Mingtao; Huang, Fei; Cao, Yong; Russell, Thomas P; Chen, Yongsheng

2015-03-25

A series of acceptor-donor-acceptor simple oligomer-like small molecules based on oligothiophenes, namely, DRCN4T-DRCN9T, were designed and synthesized. Their optical, electrical, and thermal properties and photovoltaic performances were systematically investigated. Except for DRCN4T, excellent performances were obtained for DRCN5T-DRCN9T. The devices based on DRCN5T, DRCN7T, and DRCN9T with axisymmetric chemical structures exhibit much higher short-circuit current densities than those based on DRCN6T and DRCN8T with centrosymmetric chemical structures, which is attributed to their well-developed fibrillar network with a feature size less than 20 nm. The devices based on DRCN5T/PC71BM showed a notable certified power conversion efficiency (PCE) of 10.10% under AM 1.5G irradiation (100 mW cm(-2)) using a simple solution spin-coating fabrication process. This is the highest PCE for single-junction small-molecule-based organic photovoltaics (OPVs) reported to date. DRCN5T is a rather simpler molecule compared with all of the other high-performance molecules in OPVs to date, and this might highlight its advantage in the future possible commercialization of OPVs. These results demonstrate that a fine and balanced modification/design of chemical structure can make significant performance differences and that the performance of solution-processed small-molecule-based solar cells can be comparable to or even surpass that of their polymer counterparts.

Active control of nanolitre droplet contents with convective concentration gradients across permeable walls.

PubMed

Zeitoun, Ramsey I; Goudie, Marcus J; Zwier, Jacob; Mahawilli, David; Burns, Mark A

2011-12-07

Nanolitre droplets in microfluidic devices can be used to perform thousands of independent chemical and biological experiments while minimizing reagents, cost and time. However, the absence of simple and versatile methods capable of controlling the contents of these nanolitre chemical systems limits their scientific potential. To address this, we have developed a method that is simple to fabricate and can continuously control nanolitre chemical systems by integrating a time-resolved convective flow signal across a permeable membrane wall. With this method, we can independently control the volume and concentration of nanolitre-sized drops without ever directly contacting the fluid. Transport occurring in these systems was also analyzed and thoroughly characterized. We achieved volumetric fluid introduction and removal rates ranging from 0.23 to 4.0 pL s(-1). Furthermore, we expanded this method to perform chemical processes. We precipitated silver chloride using a flow signal of sodium chloride and silver nitrate droplets. From there, we were able to separate sodium chloride reactants with a water flow signal, and dissolve silver chloride solids with an ammonia hydroxide flow signal. Finally, we demonstrate the potential to deliver large molecules and perform physical processes like crystallization and particle packing.

On the Chemical Mixing Induced by Internal Gravity Waves

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

Rogers, T. M.; McElwaine, J. N.

Detailed modeling of stellar evolution requires a better understanding of the (magneto)hydrodynamic processes that mix chemical elements and transport angular momentum. Understanding these processes is crucial if we are to accurately interpret observations of chemical abundance anomalies, surface rotation measurements, and asteroseismic data. Here, we use two-dimensional hydrodynamic simulations of the generation and propagation of internal gravity waves in an intermediate-mass star to measure the chemical mixing induced by these waves. We show that such mixing can generally be treated as a diffusive process. We then show that the local diffusion coefficient does not depend on the local fluid velocity,more » but rather on the wave amplitude. We then use these findings to provide a simple parameterization for this diffusion, which can be incorporated into stellar evolution codes and tested against observations.« less

Enhancement of Thermoelectric Properties of PEDOT:PSS and Tellurium-PEDOT:PSS Hybrid Composites by Simple Chemical Treatment.

PubMed

Bae, Eun Jin; Kang, Young Hun; Jang, Kwang-Suk; Cho, Song Yun

2016-01-05

The thermoelectric properties of poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) ( PSS) and tellurium- PSS (Te- PSS) hybrid composites were enhanced via simple chemical treatment. The performance of thermoelectric materials is determined by their electrical conductivity, thermal conductivity, and Seebeck coefficient. Significant enhancement of the electrical conductivity of PSS and Te- PSS hybrid composites from 787.99 and 11.01 to 4839.92 and 334.68 S cm(-1), respectively was achieved by simple chemical treatment with H2SO4. The power factor of the developed materials could be effectively tuned over a very wide range depending on the concentration of the H2SO4 solution used in the chemical treatment. The power factors of the developed thermoelectric materials were optimized to 51.85 and 284 μW m(-1) K(-2), respectively, which represent an increase of four orders of magnitude relative to the corresponding parameters of the untreated thermoelectric materials. Using the Te- PSS hybrid composites, a flexible thermoelectric generator that could be embedded in textiles was fabricated by a printing process. This thermoelectric array generates a thermoelectric voltage of 2 mV using human body heat.

Dissolution Processes, Kinetics

EPA Science Inventory

Chemistry by its very nature is concerned with change. There are simple but significant interactions between air, water, and minerals that impact our natural environment. Minerals with well-defined structure are converted by various environmental chemical reactions into their e...

Integrated Electrochemical Processes for CO 2 Capture and Conversion to Commodity Chemicals

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

Hatton, T. Alan; Jamison, Timothy

2013-09-30

The Massachusetts Institute of Technology (MIT) and Siemens Corporations (SCR) are developing new chemical synthesis processes for commodity chemicals from CO 2. The process is assessed as a novel chemical sequestration technology that utilizes CO 2 from dilute gas streams generated at industrial carbon emitters as a raw material to produce useful commodity chemicals. Work at Massachusetts Institute of Technology (MIT) commenced on October 1st, 2010, and finished on September 30th, 2013. During this period, we have investigated and accomplished five objectives that mainly focused on converting CO 2 into high-value chemicals: 1) Electrochemical assessment of catalytic transformation of COmore » 2 and epoxides to cyclic carbonates; 2) Investigation of organocatalytic routes to convert CO 2 and epoxide to cyclic carbonates; 3) Investigation of CO 2 Capture and conversion using simple olefins under continuous flow; 4) Microwave assisted synthesis of cyclic carbonates from olefins using sodium bicarbonates in a green pathway; 5) Life cycle analyses of integrated chemical sequestration process. In this final report, we will describe the detailed study performed during the three year period and findings and conclusions drawn from our research.« less

Metabolism

MedlinePlus

... anabolism, small molecules are changed into larger, more complex molecules of carbohydrate, protein, and fat. Catabolism (pronounced: kuh-TAB-uh- ... this process, cells break down large molecules (mostly carbohydrates and ... body to move. As complex chemical units are broken down into more simple ...

Sulfanilic acid-modified chitosan mini-spheres and their application for lysozyme purification from egg white.

PubMed

Hirsch, Daniela B; Baieli, María F; Urtasun, Nicolás; Lázaro-Martínez, Juan M; Glisoni, Romina J; Miranda, María V; Cascone, Osvaldo; Wolman, Federico J

2018-03-01

A cation exchange matrix with zwitterionic and multimodal properties was synthesized by a simple reaction sequence coupling sulfanilic acid to a chitosan based support. The novel chromatographic matrix was physico-chemically characterized by ss-NMR and ζ potential, and its chromatographic performance was evaluated for lysozyme purification from diluted egg white. The maximum adsorption capacity, calculated according to Langmuir adsorption isotherm, was 50.07 ± 1.47 mg g -1 while the dissociation constant was 0.074 ± 0.012 mg mL -1 . The process for lysozyme purification from egg white was optimized, with 81.9% yield and a purity degree of 86.5%, according to RP-HPLC analysis. This work shows novel possible applications of chitosan based materials. The simple synthesis reactions combined with the simple mode of use of the chitosan matrix represents a novel method to purify proteins from raw starting materials. © 2017 American Institute of Chemical Engineers Biotechnol. Prog., 34:387-396, 2018. © 2017 American Institute of Chemical Engineers.

Simple Fabrication of Gd(III)-DTPA-Nanodiamond Particles by Chemical Modification for Use as Magnetic Resonance Imaging (MRI) Contrast Agent

NASA Astrophysics Data System (ADS)

Nakamura, Takako; Ohana, Tsuguyori; Yabuno, Hajime; Kasai, Rumiko; Suzuki, Tetsuya; Hasebe, Terumitsu

2013-01-01

We have developed a simple and useful process for fabricating nanodiamond (ND) particles modified with an organogadolinium moiety by chemical modification for their use as a magnetic resonance imaging (MRI) contrast agent. The introduction of the organogadolinium moiety on the surface of the ND particles was performed by the condensation of ND and diethylenetriaminepentaacetic acid (DTPA) followed by treatment with GdCl3. The modified surfaces were evaluated by X-ray photoelectron spectroscopy, diffuse reflectance Fourier transform infrared spectroscopy, mass spectroscopy, and inductively coupled plasma atomic emission spectroscopy analyses. MRI experiments on the Gd-DTPA-ND particles indicated their high signal intensity on T1-weighted images.

Processing waste fats into a fuel oil substitute

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

Pudel, F.; Lengenfeld, P.

1993-12-31

Waste fats have a high energy potential. They also contain impurities. For example, fats used for deep-frying contain high contents of solids, water, and chlorides. The process described in this paper removes the impurities by simple processing such as screening, washing, separating, drying, and filtering. The final quality of processed fat allows its use as a fuel oil substitute, and also as a raw material for chemical production.

Microelectrode voltammetry of multi-electron transfers complicated by coupled chemical equilibria: a general theory for the extended square scheme.

PubMed

Laborda, Eduardo; Gómez-Gil, José María; Molina, Angela

2017-06-28

A very general and simple theoretical solution is presented for the current-potential-time response of reversible multi-electron transfer processes complicated by homogeneous chemical equilibria (the so-called extended square scheme). The expressions presented here are applicable regardless of the number of electrons transferred and coupled chemical processes, and they are particularized for a wide variety of microelectrode geometries. The voltammetric response of very different systems presenting multi-electron transfers is considered for the most widely-used techniques (namely, cyclic voltammetry, square wave voltammetry, differential pulse voltammetry and steady state voltammetry), studying the influence of the microelectrode geometry and the number and thermodynamics of the (electro)chemical steps. Most appropriate techniques and procedures for the determination of the 'interaction' between successive transfers are discussed. Special attention is paid to those situations where homogeneous chemical processes, such as protonation, complexation or ion association, affect the electrochemical behaviour of the system by different stabilization of the oxidation states.

CADDIS Volume 2. Sources, Stressors and Responses: Unspecified Toxic Chemicals - Simple Conceptual Diagram

EPA Pesticide Factsheets

Intro to the unspecified toxic chemicals module, when to list toxic chemicals as a candidate cause, ways to measure toxic chemicals, simple and detailed conceptual diagrams for toxic chemicals, toxic chemicals module references and literature reviews.

Monitoring chemical reactions by low-field benchtop NMR at 45 MHz: pros and cons.

PubMed

Silva Elipe, Maria Victoria; Milburn, Robert R

2016-06-01

Monitoring chemical reactions is the key to controlling chemical processes where NMR can provide support. High-field NMR gives detailed structural information on chemical compounds and reactions; however, it is expensive and complex to operate. Conversely, low-field NMR instruments are simple and relatively inexpensive alternatives. While low-field NMR does not provide the detailed information as the high-field instruments as a result of their smaller chemical shift dispersion and the complex secondary coupling, it remains of practical value as a process analytical technology (PAT) tool and is complimentary to other established methods, such as ReactIR and Raman spectroscopy. We have tested a picoSpin-45 (currently under ThermoFisher Scientific) benchtop NMR instrument to monitor three types of reactions by 1D (1) H NMR: a Fischer esterification, a Suzuki cross-coupling, and the formation of an oxime. The Fischer esterification is a relatively simple reaction run at high concentration and served as proof of concept. The Suzuki coupling is an example of a more complex, commonly used reaction involving overlapping signals. Finally, the oxime formation involved a reaction in two phases that cannot be monitored by other PAT tools. Here, we discuss the pros and cons of monitoring these reactions at a low-field of 45 MHz by 1D (1) H NMR. Copyright © 2015 John Wiley & Sons, Ltd. Copyright © 2015 John Wiley & Sons, Ltd.

Label-assisted mass spectrometry for the acceleration of reaction discovery and optimization

NASA Astrophysics Data System (ADS)

Cabrera-Pardo, Jaime R.; Chai, David I.; Liu, Song; Mrksich, Milan; Kozmin, Sergey A.

2013-05-01

The identification of new reactions expands our knowledge of chemical reactivity and enables new synthetic applications. Accelerating the pace of this discovery process remains challenging. We describe a highly effective and simple platform for screening a large number of potential chemical reactions in order to discover and optimize previously unknown catalytic transformations, thereby revealing new chemical reactivity. Our strategy is based on labelling one of the reactants with a polyaromatic chemical tag, which selectively undergoes a photoionization/desorption process upon laser irradiation, without the assistance of an external matrix, and enables rapid mass spectrometric detection of any products originating from such labelled reactants in complex reaction mixtures without any chromatographic separation. This method was successfully used for high-throughput discovery and subsequent optimization of two previously unknown benzannulation reactions.

Coupling Computer-Aided Process Simulation and ...

EPA Pesticide Factsheets

A methodology is described for developing a gate-to-gate life cycle inventory (LCI) of a chemical manufacturing process to support the application of life cycle assessment in the design and regulation of sustainable chemicals. The inventories were derived by first applying process design and simulation of develop a process flow diagram describing the energy and basic material flows of the system. Additional techniques developed by the U.S. Environmental Protection Agency for estimating uncontrolled emissions from chemical processing equipment were then applied to obtain a detailed emission profile for the process. Finally, land use for the process was estimated using a simple sizing model. The methodology was applied to a case study of acetic acid production based on the Cativa tm process. The results reveal improvements in the qualitative LCI for acetic acid production compared to commonly used databases and top-down methodologies. The modeling techniques improve the quantitative LCI results for inputs and uncontrolled emissions. With provisions for applying appropriate emission controls, the proposed method can provide an estimate of the LCI that can be used for subsequent life cycle assessments. As part of its mission, the Agency is tasked with overseeing the use of chemicals in commerce. This can include consideration of a chemical's potential impact on health and safety, resource conservation, clean air and climate change, clean water, and sustainable

The Krylov accelerated SIMPLE(R) method for flow problems in industrial furnaces

NASA Astrophysics Data System (ADS)

Vuik, C.; Saghir, A.; Boerstoel, G. P.

2000-08-01

Numerical modeling of the melting and combustion process is an important tool in gaining understanding of the physical and chemical phenomena that occur in a gas- or oil-fired glass-melting furnace. The incompressible Navier-Stokes equations are used to model the gas flow in the furnace. The discrete Navier-Stokes equations are solved by the SIMPLE(R) pressure-correction method. In these applications, many SIMPLE(R) iterations are necessary to obtain an accurate solution. In this paper, Krylov accelerated versions are proposed: GCR-SIMPLE(R). The properties of these methods are investigated for a simple two-dimensional flow. Thereafter, the efficiencies of the methods are compared for three-dimensional flows in industrial glass-melting furnaces. Copyright

Green Synthesis of polyvinyl alcohol (PVA)-cellulose nanofibril (CNF) hybrid aerogels and their use as superabsorbents

Treesearch

Qifeng Zheng; Zhiyong Cai; Shaoqin Gong

2014-01-01

Cross-linked polyvinyl alcohol (PVA)–cellulose nanofibril (CNF) hybrid organic aerogels were prepared using an environmentally friendly freeze-drying process. The resulting PVA/CNF aerogel was rendered both superhydrophobic and superoleophilic after being treated with methyltrichlorosilane via a simple thermal chemical vapor deposition process. Successful silanization...

An Automated Statistical Process Control Study of Inline Mixing Using Spectrophotometric Detection

ERIC Educational Resources Information Center

Dickey, Michael D.; Stewart, Michael D.; Willson, C. Grant

2006-01-01

An experiment is described, which is designed for a junior-level chemical engineering "fundamentals of measurements and data analysis" course, where students are introduced to the concept of statistical process control (SPC) through a simple inline mixing experiment. The students learn how to create and analyze control charts in an effort to…

Enhancement of Thermoelectric Properties of PEDOT:PSS and Tellurium-PEDOT:PSS Hybrid Composites by Simple Chemical Treatment

PubMed Central

Jin Bae, Eun; Hun Kang, Young; Jang, Kwang-Suk; Yun Cho, Song

2016-01-01

The thermoelectric properties of poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) and tellurium-PEDOT:PSS (Te-PEDOT:PSS) hybrid composites were enhanced via simple chemical treatment. The performance of thermoelectric materials is determined by their electrical conductivity, thermal conductivity, and Seebeck coefficient. Significant enhancement of the electrical conductivity of PEDOT:PSS and Te-PEDOT:PSS hybrid composites from 787.99 and 11.01 to 4839.92 and 334.68 S cm−1, respectively was achieved by simple chemical treatment with H2SO4. The power factor of the developed materials could be effectively tuned over a very wide range depending on the concentration of the H2SO4 solution used in the chemical treatment. The power factors of the developed thermoelectric materials were optimized to 51.85 and 284 μW m−1 K−2, respectively, which represent an increase of four orders of magnitude relative to the corresponding parameters of the untreated thermoelectric materials. Using the Te-PEDOT:PSS hybrid composites, a flexible thermoelectric generator that could be embedded in textiles was fabricated by a printing process. This thermoelectric array generates a thermoelectric voltage of 2 mV using human body heat. PMID:26728992

A Simple Demonstration of Allelopathy.

ERIC Educational Resources Information Center

Marcus, Bernard A.; Burz, Judy

1994-01-01

Uses members of the Cruciferae family such as radishes (Sp. Raphanus), to describe a process termed allelopathy by which a plant uses a chemical compound that escapes into the environment to harm another plant. Tips are provided for easy use in the classroom. (ZWH)

A simple and rapid infrared-assisted self enzymolysis extraction method for total flavonoid aglycones extraction from Scutellariae Radix and mechanism exploration.

PubMed

Wang, Liping; Duan, Haotian; Jiang, Jiebing; Long, Jiakun; Yu, Yingjia; Chen, Guiliang; Duan, Gengli

2017-09-01

A new, simple, and fast infrared-assisted self enzymolysis extraction (IRASEE) approach for the extraction of total flavonoid aglycones (TFA) mainly including baicalein, wogonin, and oroxylin A from Scutellariae Radix is presented to enhance extraction yield. Extraction enzymolysis temperature, enzymolysis liquid-to-solid ratio, enzymolysis pH, enzymolysis time and infrared power, the factors affecting IRASEE procedure, were investigated in a newly designed, temperature-controlled infrared-assisted extraction (TC-IRAE) system to acquire the optimum analysis conditions. The results illustrated that IRASEE possessed great advantages in terms of efficiency and time compared with other conventional extraction techniques. Furthermore, the mechanism of IRASEE was preliminarily explored by observing the microscopic change of the samples surface structures, studying the main chemical compositions change of the samples before and after extraction and investigating the kinetics and thermodynamics at three temperature levels during the IRASEE process. These findings revealed that IRASEE can destroy the surface microstructures to accelerate the mass transfer and reduce the activation energy to intensify the chemical process. This integrative study presents a simple, rapid, efficient, and environmental IRASEE method for TFA extraction which has promising prospects for other similar herbal medicines. Graphical Abstract ᅟ.

Yellow phosphorus process to convert toxic chemicals to non-toxic products

DOEpatents

Chang, S.G.

1994-07-26

The present invention relates to a process for generating reactive species for destroying toxic chemicals. This process first contacts air or oxygen with aqueous emulsions of molten yellow phosphorus. This contact results in rapid production of abundant reactive species such as O, O[sub 3], PO, PO[sub 2], etc. A gaseous or liquid aqueous solution organic or inorganic chemicals is next contacted by these reactive species to reduce the concentration of toxic chemical and result in a non-toxic product. The final oxidation product of yellow phosphorus is phosphoric acid of a quality which can be recovered for commercial use. A process is developed such that the byproduct, phosphoric acid, is obtained without contamination of toxic species in liquids treated. A gas stream containing ozone without contamination of phosphorus containing species is also obtained in a simple and cost-effective manner. This process is demonstrated to be effective for destroying many types of toxic organic, or inorganic, compounds, including polychlorinated biphenyls (PCB), aromatic chlorides, amines, alcohols, acids, nitro aromatics, aliphatic chlorides, polynuclear aromatic compounds (PAH), dyes, pesticides, sulfides, hydroxyamines, ureas, dithionates and the like. 20 figs.

Yellow phosphorus process to convert toxic chemicals to non-toxic products

DOEpatents

Chang, Shih-Ger

1994-01-01

The present invention relates to a process for generating reactive species for destroying toxic chemicals. This process first contacts air or oxygen with aqueous emulsions of molten yellow phosphorus. This contact results in rapid production of abundant reactive species such as O, O.sub.3, PO, PO.sub.2, etc. A gaseous or liquid aqueous solution organic or inorganic chemicals is next contacted by these reactive species to reduce the concentration of toxic chemical and result in a non-toxic product. The final oxidation product of yellow phosphorus is phosphoric acid of a quality which can be recovered for commercial use. A process is developed such that the byproduct, phosphoric acid, is obtained without contamination of toxic species in liquids treated. A gas stream containing ozone without contamination of phosphorus containing species is also obtained in a simple and cost-effective manner. This process is demonstrated to be effective for destroying many types of toxic organic, or inorganic, compounds, including polychlorinated biphenyls (PCB), aromatic chlorides, amines, alcohols, acids, nitro aromatics, aliphatic chlorides, polynuclear aromatic compounds (PAH), dyes, pesticides, sulfides, hydroxyamines, ureas, dithionates and the like.

Polyaniline nanofibers: a unique polymer nanostructure for versatile applications.

PubMed

Li, Dan; Huang, Jiaxing; Kaner, Richard B

2009-01-20

Known for more than 150 years, polyaniline is the oldest and potentially one of the most useful conducting polymers because of its facile synthesis, environmental stability, and simple acid/base doping/dedoping chemistry. Because a nanoform of this polymer could offer new properties or enhanced performance, nanostructured polyaniline has attracted a great deal of interest during the past few years. This Account summarizes our recent research on the syntheses, processing, properties, and applications of polyaniline nanofibers. By monitoring the nucleation behavior of polyaniline, we demonstrate that high-quality nanofibers can be readily produced in bulk quantity using the conventional chemical oxidative polymerization of aniline. The polyaniline nanostructures formed using this simple method have led to a number of exciting discoveries. For example, we can readily prepare aqueous polyaniline colloids by purifying polyaniline nanofibers and controlling the pH. The colloids formed are self-stabilized via electrostatic repulsions without the need for any chemical modification or steric stabilizer, thus providing a simple and environmentally friendly way to process this polymer. An unusual nanoscale photothermal effect called "flash welding", which we discovered with polyaniline nanofibers, has led to the development of new techniques for making asymmetric polymer membranes and patterned nanofiber films and creating polymer-based nanocomposites. We also demonstrate the use of flash-welded polyaniline films for monolithic actuators. Taking advantage of the unique reduction/oxidation chemistry of polyaniline, we can decorate polyaniline nanofibers with metal nanoparticles through in situ reduction of selected metal salts. The resulting polyaniline/metal nanoparticle composites show promise for use in ultrafast nonvolatile memory devices and for chemical catalysis. In addition, the use of polyaniline nanofibers or their composites can significantly enhance the sensitivity, selectivity, and response time of polyaniline-based chemical sensors. By combining straightforward synthesis and composite formation with exceptional solution processability, we have developed a range of new useful functionalities. Further research on nanostructured conjugated polymers holds promise for even more exciting discoveries and intriguing applications.

Biocatalysis for Biobased Chemicals

PubMed Central

de Regil, Rubén; Sandoval, Georgina

2013-01-01

The design and development of greener processes that are safe and friendly is an irreversible trend that is driven by sustainable and economic issues. The use of Biocatalysis as part of a manufacturing process fits well in this trend as enzymes are themselves biodegradable, require mild conditions to work and are highly specific and well suited to carry out complex reactions in a simple way. The growth of computational capabilities in the last decades has allowed Biocatalysis to develop sophisticated tools to understand better enzymatic phenomena and to have the power to control not only process conditions but also the enzyme’s own nature. Nowadays, Biocatalysis is behind some important products in the pharmaceutical, cosmetic, food and bulk chemicals industry. In this review we want to present some of the most representative examples of industrial chemicals produced in vitro through enzymatic catalysis. PMID:24970192

Directed self-assembly of block copolymer films on atomically-thin graphene chemical patterns

DOE PAGES

Chang, Tzu-Hsuan; Xiong, Shisheng; Jacobberger, Robert M.; ...

2016-08-16

Directed self-assembly of block copolymers is a scalable method to fabricate well-ordered patterns over the wafer scale with feature sizes below the resolution of conventional lithography. Typically, lithographically-defined prepatterns with varying chemical contrast are used to rationally guide the assembly of block copolymers. The directed self-assembly to obtain accurate registration and alignment is largely influenced by the assembly kinetics. Furthermore, a considerably broad processing window is favored for industrial manufacturing. Using an atomically-thin layer of graphene on germanium, after two simple processing steps, we create a novel chemical pattern to direct the assembly of polystyreneblock-poly(methyl methacrylate). Faster assembly kinetics aremore » observed on graphene/germanium chemical patterns than on conventional chemical patterns based on polymer mats and brushes. This new chemical pattern allows for assembly on a wide range of guiding periods and along designed 90° bending structures. We also achieve density multiplication by a factor of 10, greatly enhancing the pattern resolution. Lastly, the rapid assembly kinetics, minimal topography, and broad processing window demonstrate the advantages of inorganic chemical patterns composed of hard surfaces.« less

SIMPLE WAYS TO IMPROVE PH AND ALKALINITY MEASUREMENTS FOR WATER UTILITIES AND LABORATORIES

EPA Science Inventory

Both pH and total alkalinity determinations are critical in characterizing chemical properties of water, being important to implementing good process control, determining corrosivity and other water quality properties, and assessing changes in water characteristics. Poor charac...

Laser-assisted nanomaterial deposition, nanomanufacturing, in situ monitoring and associated apparatus

DOEpatents

Mao, Samuel S; Grigoropoulos, Costas P; Hwang, David J; Minor, Andrew M

2013-11-12

Laser-assisted apparatus and methods for performing nanoscale material processing, including nanodeposition of materials, can be controlled very precisely to yield both simple and complex structures with sizes less than 100 nm. Optical or thermal energy in the near field of a photon (laser) pulse is used to fabricate submicron and nanometer structures on a substrate. A wide variety of laser material processing techniques can be adapted for use including, subtractive (e.g., ablation, machining or chemical etching), additive (e.g., chemical vapor deposition, selective self-assembly), and modification (e.g., phase transformation, doping) processes. Additionally, the apparatus can be integrated into imaging instruments, such as SEM and TEM, to allow for real-time imaging of the material processing.

The efficiency of driving chemical reactions by a physical non-equilibrium is kinetically controlled.

PubMed

Göppel, Tobias; Palyulin, Vladimir V; Gerland, Ulrich

2016-07-27

An out-of-equilibrium physical environment can drive chemical reactions into thermodynamically unfavorable regimes. Under prebiotic conditions such a coupling between physical and chemical non-equilibria may have enabled the spontaneous emergence of primitive evolutionary processes. Here, we study the coupling efficiency within a theoretical model that is inspired by recent laboratory experiments, but focuses on generic effects arising whenever reactant and product molecules have different transport coefficients in a flow-through system. In our model, the physical non-equilibrium is represented by a drift-diffusion process, which is a valid coarse-grained description for the interplay between thermophoresis and convection, as well as for many other molecular transport processes. As a simple chemical reaction, we consider a reversible dimerization process, which is coupled to the transport process by different drift velocities for monomers and dimers. Within this minimal model, the coupling efficiency between the non-equilibrium transport process and the chemical reaction can be analyzed in all parameter regimes. The analysis shows that the efficiency depends strongly on the Damköhler number, a parameter that measures the relative timescales associated with the transport and reaction kinetics. Our model and results will be useful for a better understanding of the conditions for which non-equilibrium environments can provide a significant driving force for chemical reactions in a prebiotic setting.

Chemical Kinetics, Heat Transfer, and Sensor Dynamics Revisited in a Simple Experiment

ERIC Educational Resources Information Center

Sad, Maria E.; Sad, Mario R.; Castro, Alberto A.; Garetto, Teresita F.

2008-01-01

A simple experiment about thermal effects in chemical reactors is described, which can be used to illustrate chemical reactor models, the determination and validation of their parameters, and some simple principles of heat transfer and sensor dynamics. It is based in the exothermic reaction between aqueous solutions of sodium thiosulfate and…

UV Catalysis, Cyanotype Photography, and Sunscreens

NASA Astrophysics Data System (ADS)

Lawrence, Glen D.; Fishelson, Stuart

1999-09-01

This laboratory experiment is intended for a chemistry course for non-science majors. The experiment utilizes one of the earliest photographic processes, the cyanotype process, to demonstrate UV catalysis of chemical reactions. In addition to making photographic prints from negatives, the process can be used to test the effectiveness of sunscreens and the relative efficacy of the SPF (sun protection factor) rating of sunscreens. This is an inexpensive process, requiring solutions of ammonium ferric citrate and potassium ferricyanide, with options to use hydrogen peroxide and ammonium hydroxide solutions. Students can prepare their own UV-sensitized paper with the indicated chemicals and watch the photographic image appear as it is exposed to sunlight or fluorescent UV lamps in a light box designed for use in this experiment. The laboratory experiment should stimulate discussion of UV catalysis, photographic processes and photochemistry, sunscreens, and UV damage to biological organisms. The chemicals used are relatively nontoxic, and the procedure is simple enough to be used by groups of diverse ages and abilities.

Vortex breakdown in simple pipe bends

NASA Astrophysics Data System (ADS)

Ault, Jesse; Shin, Sangwoo; Stone, Howard

2016-11-01

Pipe bends and elbows are one of the most common fluid mechanics elements that exists. However, despite their ubiquity and the extensive amount of research related to these common, simple geometries, unexpected complexities still remain. We show that for a range of geometries and flow conditions, these simple flows experience unexpected fluid dynamical bifurcations resembling the bubble-type vortex breakdown phenomenon. Specifically, we show with simulations and experiments that recirculation zones develop within the bends under certain conditions. As a consequence, fluid and particles can remain trapped within these structures for unexpectedly-long time scales. We also present simple techniques to mitigate this recirculation effect which can potentially have impact across industries ranging from biomedical and chemical processing to food and health sciences.

Chemical recognition of gases and gas mixtures with terahertz waves.

PubMed

Jacobsen, R H; Mittleman, D M; Nuss, M C

1996-12-15

A time-domain chemical-recognition system for classifying gases and analyzing gas mixtures is presented. We analyze the free induction decay exhibited by gases excited by far-infrared (terahertz) pulses in the time domain, using digital signal-processing techniques. A simple geometric picture is used for the classif ication of the waveforms measured for unknown gas species. We demonstrate how the recognition system can be used to determine the partial pressures of an ammonia-water gas mixture.

Chemical recognition of gases and gas mixtures with terahertz waves

NASA Astrophysics Data System (ADS)

Jacobsen, R. H.; Mittleman, D. M.; Nuss, M. C.

1996-12-01

A time-domain chemical-recognition system for classifying gases and analyzing gas mixtures is presented. We analyze the free induction decay exhibited by gases excited by far-infrared (terahertz) pulses in the time domain, using digital signal-processing techniques. A simple geometric picture is used for the classification of the waveforms measured for unknown gas species. We demonstrate how the recognition system can be used to determine the partial pressures of an ammonia-water gas mixture.

All-organic microelectromechanical systems integrating specific molecular recognition--a new generation of chemical sensors.

PubMed

Ayela, Cédric; Dubourg, Georges; Pellet, Claude; Haupt, Karsten

2014-09-03

Cantilever-type all-organic microelectromechanical systems based on molecularly imprinted polymers for specific analyte recognition are used as chemical sensors. They are produced by a simple spray-coating-shadow-masking process. Analyte binding to the cantilever generates a measurable change in its resonance frequency. This allows label-free detection by direct mass sensing of low-molecular-weight analytes at nanomolar concentrations. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chemical degradation and morphological instabilities during focused ion beam prototyping of polymers.

PubMed

Orthacker, A; Schmied, R; Chernev, B; Fröch, J E; Winkler, R; Hobisch, J; Trimmel, G; Plank, H

2014-01-28

Focused ion beam processing of low melting materials, such as polymers or biological samples, often leads to chemical and morphological instabilities which prevent the straight-forward application of this versatile direct-write structuring method. In this study the behaviour of different polymer classes under ion beam exposure is investigated using different patterning parameters and strategies with the aim of (i) correlating local temperatures with the polymers' chemistry and its morphological consequences; and (ii) finding a way of processing sensitive polymers with lowest chemical degradation while maintaining structuring times. It is found that during processing of polymers three temperature regimes can be observed: (1) at low temperatures all polymers investigated show stable chemical and morphological behaviour; (2) very high temperatures lead to strong chemical degradation which entails unpredictable morphologies; and (3) in the intermediate temperature regime the behaviour is found to be strongly material dependent. A detailed look reveals that polymers which rather cross-link in the proximity of the beam show stable morphologies in this intermediate regime, while polymers that rather undergo chain scission show tendencies to develop a creeping phase, where material follows the ion beam movement leading to instable and unpredictable morphologies. Finally a simple, alternative patterning strategy is suggested, which allows stable processing conditions with lowest chemical damage even for challenging polymers undergoing chain scission.

Analysis of bacterial migration. 2: Studies with multiple attractant gradients

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

Strauss, I.; Frymier, P.D.; Hahn, C.M.

1995-02-01

Many motile bacteria exhibit chemotaxis, the ability to bias their random motion toward or away from increasing concentrations of chemical substances which benefit or inhibit their survival, respectively. Since bacteria encounter numerous chemical concentration gradients simultaneously in natural surroundings, it is necessary to know quantitatively how a bacterial population responds in the presence of more than one chemical stimulus to develop predictive mathematical models describing bacterial migration in natural systems. This work evaluates three hypothetical models describing the integration of chemical signals from multiple stimuli: high sensitivity, maximum signal, and simple additivity. An expression for the tumbling probability for individualmore » stimuli is modified according to the proposed models and incorporated into the cell balance equation for a 1-D attractant gradient. Random motility and chemotactic sensitivity coefficients, required input parameters for the model, are measured for single stimulus responses. Theoretical predictions with the three signal integration models are compared to the net chemotactic response of Escherichia coli to co- and antidirectional gradients of D-fucose and [alpha]-methylaspartate in the stopped-flow diffusion chamber assay. Results eliminate the high-sensitivity model and favor the simple additivity over the maximum signal. None of the simple models, however, accurately predict the observed behavior, suggesting a more complex model with more steps in the signal processing mechanism is required to predict responses to multiple stimuli.« less

Evaluating the multimedia fate of organic chemicals: A level III fugacity model

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

Mackay, D.; Paterson, S.

A multimedia model is developed and applied to selected organic chemicals in evaluative and real regional environments. The model employs the fugacity concept and treats four bulk compartments: air, water, soil, and bottom sediment, which consist of subcompartments of varying proportions of air, water, and mineral and organic matter. Chemical equilibrium is assumed to apply within (but not between) each bulk compartment. Expressions are included for emissions, advective flows, degrading reactions, and interphase transport by diffusive and non-diffusive processes. Input to the model consists of a description of the environment, the physical-chemical and reaction properties of the chemical, and emissionmore » rates. For steady-state conditions the solution is a simple algebraic expression. The model is applied to six chemicals in the region of southern Ontario and the calculated fate and concentrations are compared with observations. The results suggest that the model may be used to determine the processes that control the environmental fate of chemicals in a region and provide approximate estimates of relative media concentrations.« less

Development of biodegradable foamlike materials based on casein and sodium montmorillonite clay

USDA-ARS?s Scientific Manuscript database

Biodegradable foamlike materials based on a naturally occurring polymer (casein protein) and sodium montmorillonite clay (Na+-MMT) were produced through a simple freeze-drying process. By utilizing DL-glyceraldehyde (GC) as a chemical cross-linking agent, the structural integrity of these new aeroge...

Microwave-assisted maleation of tung oil for bio-based products

USDA-ARS?s Scientific Manuscript database

In this work, a simple, “green” and convenient chemical modification of tung oil for maleinized tung oil (TOMA) was developed via microwave-assisted one-step maleation. This modifying process did not involve any solvent, catalyst, or initiator, but demonstrated the most efficiency of functionalizing...

Novel fabrication of flexible graphene-based chemical sensors with heaters using soft lithographic patterning method.

PubMed

Jung, Min Wook; Myung, Sung; Song, Wooseok; Kang, Min-A; Kim, Sung Ho; Yang, Cheol-Soo; Lee, Sun Sook; Lim, Jongsun; Park, Chong-Yun; Lee, Jeong-O; An, Ki-Seok

2014-08-27

We have fabricated graphene-based chemical sensors with flexible heaters for the highly sensitive detection of specific gases. We believe that increasing the temperature of the graphene surface significantly enhanced the electrical signal change of the graphene-based channel, and reduced the recovery time needed to obtain a normal state of equilibrium. In addition, a simple and efficient soft lithographic patterning process was developed via surface energy modification for advanced, graphene-based flexible devices, such as gas sensors. As a proof of concept, we demonstrated the high sensitivity of NO2 gas sensors based on graphene nanosheets. These devices were fabricated using a simple soft-lithographic patterning method, where flexible graphene heaters adjacent to the channel of sensing graphene were utilized to control graphene temperature.

Membranes for Food and Bioproduct Processing

NASA Astrophysics Data System (ADS)

Avram, Alexandru M.

Modified membranes for process intensification in biomass hydrolysis: Production of biofuels and chemicals from lignocellulosic biomass is one of the leading candidates for replacement of petroleum based fuels and chemicals. However, conversion of lignocellulosic biomass into fuels and chemicals is not cost effective compared to the production of fuels and chemicals from crude oil reserves. Some novel and economically feasible approaches involve the use of ionic liquids as solvents or co-solvents, since these show improved solvation capability of cellulose over simple aqueous systems. Membranes offer unique opportunities for process intensification which involves fractionation of the resulting biomass hydrolysate leading to a more efficient and cheaper operation. This research attempts to develop membranes that would usher the economics of the biochemical conversion of lignocellulosic biomass into fuels and chemicals by recycling the expensive ionic liquid. The overall aim of this work is the development of novel membranes with unique surface properties that enable the selective separation of non-reacted cellulose and hydrolysis sugars from ionic liquids. Nanofiltration separation for application in food product engineering: With the advent of the modern, well-informed consumer who has high expectations from the nutritional value of consumed food products, novel approaches are being developed to produce nutrient-enhanced foods and drinks. As a response to the consumer needs, different techniques to recover, concentrate and retain as much as possible of bioactive compounds are being investigated. Membrane technology has the advantage of selective fractionation of food products (e.g. salt removal, removal of bitter-tasting compounds or removal of sugar for sweet taste adjustment), volume reduction, and product recovery at mild conditions. In this work, we use nanofiltration in dead-end and crossflow mode to concentrate polyphenols from blueberry pomace. Blueberry pomace is an overlooked waste product form the juice pressing of blueberries that contains high amounts of health-beneficial antioxidants. We aim at developing a simple, yet efficient membrane process that reduces the amount of water and thus concentrates the amount of polyphenols in the retentate.

Implications of Barium Abundances for the Chemical Enrichment of Dwarf Galaxies

NASA Astrophysics Data System (ADS)

Duggan, Gina; Kirby, Evan N.

2018-06-01

There are many candidate sites of the r-process: core-collapse supernovae (including rare magnetorotational core-collapse supernovae), neutron star mergers (NSMs), and neutron star/black hole mergers. The chemical enrichment of galaxies—specifically dwarf galaxies—helps distinguish between these sources based on the continual build-up of r-process elements. The existence of several nearby dwarf galaxies allows us to measure robust chemical abundances for galaxies with different star formation histories. Dwarf galaxies are especially useful because simple chemical evolution models can be used to determine the sources of r-process material. We have measured the r-process element barium with Keck/DEIMOS medium-resolution spectroscopy. We will present the largest sample of barium abundances (more than 200 stars) in dwarf galaxies ever assembled. We measure [Ba/Fe] as a function of [Fe/H] in this sample and compare with existing [alpha/Fe] measurements. We have found that a large contribution of barium needs to occur at timescales similar to Type Ia supernovae in order to recreate our observed abundances, namely the flat or slightly rising trend of [Ba/Fe] vs. [Fe/H]. We conclude that neutron star mergers are the main contribution of r-process enrichment in dwarf galaxies.

Selective production of chemicals from biomass pyrolysis over metal chlorides supported on zeolite.

PubMed

Leng, Shuai; Wang, Xinde; Cai, Qiuxia; Ma, Fengyun; Liu, Yue'e; Wang, Jianguo

2013-12-01

Direct biomass conversion into chemicals remains a great challenge because of the complexity of the compounds; hence, this process has attracted less attention than conversion into fuel. In this study, we propose a simple one-step method for converting bagasse into furfural (FF) and acetic acid (AC). In this method, bagasse pyrolysis over ZnCl2/HZSM-5 achieved a high FF and AC yield (58.10%) and a 1.01 FF/AC ratio, but a very low yield of medium-boiling point components. However, bagasse pyrolysis using HZSM-5 alone or ZnCl2 alone still remained large amounts of medium-boiling point components or high-boiling point components. The synergistic effect of HZSM-5 and ZnCl2, which combines pyrolysis, zeolite cracking, and Lewis acid-selective catalysis results in highly efficient bagasse conversion into FF and AC. Therefore, our study provides a novel, simple method for directly converting biomass into high-yield useful chemical. Copyright © 2013 Elsevier Ltd. All rights reserved.

Basaltic volcanism - The importance of planet size

NASA Technical Reports Server (NTRS)

Walker, D.; Stolper, E. M.; Hays, J. F.

1979-01-01

The volumetrically abundant basalts on the earth, its moon, and the eucrite parent planet all have chemical compositions that are controlled to a large extent by dry, low-pressure, crystal-liquid equilibria. Since this generalization is valid for these three planetary bodies, we infer that it may also apply to the other unsampled terrestrial planets. Other characteristics of basaltic volcanism show variations which appear to be related to planet size: the eruption temperatures, degrees of fractionation, and chemical variety of basalts and the endurance of basaltic volcanism all increase with planet size. Although the processes responsible for chemical differences between basalt suites are known, no simple systematization of the chemical differences between basalts from planet to planet has emerged.

Convective Dynamics and Disequilibrium Chemistry in the Atmospheres of Giant Planets and Brown Dwarfs

NASA Astrophysics Data System (ADS)

Bordwell, Baylee; Brown, Benjamin P.; Oishi, Jeffrey S.

2018-02-01

Disequilibrium chemical processes significantly affect the spectra of substellar objects. To study these effects, dynamical disequilibrium has been parameterized using the quench and eddy diffusion approximations, but little work has been done to explore how these approximations perform under realistic planetary conditions in different dynamical regimes. As a first step toward addressing this problem, we study the localized, small-scale convective dynamics of planetary atmospheres by direct numerical simulation of fully compressible hydrodynamics with reactive tracers using the Dedalus code. Using polytropically stratified, plane-parallel atmospheres in 2D and 3D, we explore the quenching behavior of different abstract chemical species as a function of the dynamical conditions of the atmosphere as parameterized by the Rayleigh number. We find that in both 2D and 3D, chemical species quench deeper than would be predicted based on simple mixing-length arguments. Instead, it is necessary to employ length scales based on the chemical equilibrium profile of the reacting species in order to predict quench points and perform chemical kinetics modeling in 1D. Based on the results of our simulations, we provide a new length scale, derived from the chemical scale height, that can be used to perform these calculations. This length scale is simple to calculate from known chemical data and makes reasonable predictions for our dynamical simulations.

Microwave-assisted maleation of tung oil for bio-based products with versatile applications

USDA-ARS?s Scientific Manuscript database

In this work, a simple, “green” and convenient chemical modification of tung oil for maleinized tung oil (TOMA) was developed via microwave-assisted one-step maleation. This modifying process did not involve any solvent, catalyst, or initiator, but demonstrated the most efficiency of functionalizing...

DEVELOPMENT AND APPLICATION OF POPULATION MODELS TO SUPPORT EPA'S ECOLOGICAL RISK ASSESSMENT PROCESSES FOR PESTICIDES

EPA Science Inventory

As part of a broader exploratory effort to develop ecological risk assessment approaches to estimate potential chemical effects on non-target populations, we describe an approach for developing simple population models to estimate the extent to which acute effects on individual...

Fine detrending of raw Kepler and MOST photometric data of KIC 6950556 and HD 37633

NASA Astrophysics Data System (ADS)

Mikulášek, Zdeněk; Paunzen, Ernst; Zejda, Miloslav; Semenko, Evgenij; Bernhard, Klaus; Hümmerich, Stefan; Zhang, Jia; Hubrig, Swetlana; Kuschnig, Rainer; Janík, Jan; Jagelka, Miroslav

2016-07-01

We present a simple phenomenological method for detrending of raw Kepler and MOST photometry, which is illustrated by means of photometric data processing of two periodically variable chemically peculiar stars, KIC 6950556 and HD 37633. In principle, this method may be applied to any type of periodically variable objects and satellite or ground based photometries. As a by product, we have identified KIC 6950556 as a magnetic chemically peculiar star with an ACV type variability.

A novel double loop control model design for chemical unstable processes.

PubMed

Cong, Er-Ding; Hu, Ming-Hui; Tu, Shan-Tung; Xuan, Fu-Zhen; Shao, Hui-He

2014-03-01

In this manuscript, based on Smith predictor control scheme for unstable process in industry, an improved double loop control model is proposed for chemical unstable processes. Inner loop is to stabilize integrating the unstable process and transform the original process to first-order plus pure dead-time dynamic stable process. Outer loop is to enhance the performance of set point response. Disturbance controller is designed to enhance the performance of disturbance response. The improved control system is simple with exact physical meaning. The characteristic equation is easy to realize stabilization. Three controllers are separately design in the improved scheme. It is easy to design each controller and good control performance for the respective closed-loop transfer function separately. The robust stability of the proposed control scheme is analyzed. Finally, case studies illustrate that the improved method can give better system performance than existing design methods. © 2013 ISA Published by ISA All rights reserved.

Molecule database framework: a framework for creating database applications with chemical structure search capability

PubMed Central

2013-01-01

Background Research in organic chemistry generates samples of novel chemicals together with their properties and other related data. The involved scientists must be able to store this data and search it by chemical structure. There are commercial solutions for common needs like chemical registration systems or electronic lab notebooks. However for specific requirements of in-house databases and processes no such solutions exist. Another issue is that commercial solutions have the risk of vendor lock-in and may require an expensive license of a proprietary relational database management system. To speed up and simplify the development for applications that require chemical structure search capabilities, I have developed Molecule Database Framework. The framework abstracts the storing and searching of chemical structures into method calls. Therefore software developers do not require extensive knowledge about chemistry and the underlying database cartridge. This decreases application development time. Results Molecule Database Framework is written in Java and I created it by integrating existing free and open-source tools and frameworks. The core functionality includes: • Support for multi-component compounds (mixtures) • Import and export of SD-files • Optional security (authorization) For chemical structure searching Molecule Database Framework leverages the capabilities of the Bingo Cartridge for PostgreSQL and provides type-safe searching, caching, transactions and optional method level security. Molecule Database Framework supports multi-component chemical compounds (mixtures). Furthermore the design of entity classes and the reasoning behind it are explained. By means of a simple web application I describe how the framework could be used. I then benchmarked this example application to create some basic performance expectations for chemical structure searches and import and export of SD-files. Conclusions By using a simple web application it was shown that Molecule Database Framework successfully abstracts chemical structure searches and SD-File import and export to simple method calls. The framework offers good search performance on a standard laptop without any database tuning. This is also due to the fact that chemical structure searches are paged and cached. Molecule Database Framework is available for download on the projects web page on bitbucket: https://bitbucket.org/kienerj/moleculedatabaseframework. PMID:24325762

Molecule database framework: a framework for creating database applications with chemical structure search capability.

PubMed

Kiener, Joos

2013-12-11

Research in organic chemistry generates samples of novel chemicals together with their properties and other related data. The involved scientists must be able to store this data and search it by chemical structure. There are commercial solutions for common needs like chemical registration systems or electronic lab notebooks. However for specific requirements of in-house databases and processes no such solutions exist. Another issue is that commercial solutions have the risk of vendor lock-in and may require an expensive license of a proprietary relational database management system. To speed up and simplify the development for applications that require chemical structure search capabilities, I have developed Molecule Database Framework. The framework abstracts the storing and searching of chemical structures into method calls. Therefore software developers do not require extensive knowledge about chemistry and the underlying database cartridge. This decreases application development time. Molecule Database Framework is written in Java and I created it by integrating existing free and open-source tools and frameworks. The core functionality includes:•Support for multi-component compounds (mixtures)•Import and export of SD-files•Optional security (authorization)For chemical structure searching Molecule Database Framework leverages the capabilities of the Bingo Cartridge for PostgreSQL and provides type-safe searching, caching, transactions and optional method level security. Molecule Database Framework supports multi-component chemical compounds (mixtures).Furthermore the design of entity classes and the reasoning behind it are explained. By means of a simple web application I describe how the framework could be used. I then benchmarked this example application to create some basic performance expectations for chemical structure searches and import and export of SD-files. By using a simple web application it was shown that Molecule Database Framework successfully abstracts chemical structure searches and SD-File import and export to simple method calls. The framework offers good search performance on a standard laptop without any database tuning. This is also due to the fact that chemical structure searches are paged and cached. Molecule Database Framework is available for download on the projects web page on bitbucket: https://bitbucket.org/kienerj/moleculedatabaseframework.

Research on ultrasonic excitation for the removal of drilling fluid plug, paraffin deposition plug, polymer plug and inorganic scale plug for near-well ultrasonic processing technology.

PubMed

Wang, Zhenjun; Zeng, Jing; Song, Hao; Li, Feng

2017-05-01

Near-well ultrasonic processing technology attracts more attention due to its simple operation, high adaptability, low cost and no pollution to the formation. Although this technology has been investigated in detail through laboratory experiments and field tests, systematic and intensive researches are absent for certain major aspects, such as whether ultrasonic excitation is better than chemical agent for any plugs removal; whether ultrasound-chemical combination plug removal technology has the best plugs removal effect. In this paper, the comparison of removing drilling fluid plug, paraffin deposition plug, polymer plug and inorganic scale plug using ultrasonic excitation, chemical agent and ultrasound-chemical combination plug removal technology is investigated. Results show that the initial core permeability and ultrasonic frequency play a significant role in plug removal. Ultrasonic excitation and chemical agent have different impact on different plugs. The comparison results show that the effect of removing any plugs using ultrasound-chemicals composite plug removal technology is obviously better than that using ultrasonic excitation or chemical agent alone. Such conclusion proves that ultrasonic excitation and chemical agent can cause synergetic effects. Copyright © 2016 Elsevier B.V. All rights reserved.

Evaluating the Energetic Driving Force for Cocrystal Formation

PubMed Central

2017-01-01

We present a periodic density functional theory study of the stability of 350 organic cocrystals relative to their pure single-component structures, the largest study of cocrystals yet performed with high-level computational methods. Our calculations demonstrate that cocrystals are on average 8 kJ mol–1 more stable than their constituent single-component structures and are very rarely (<5% of cases) less stable; cocrystallization is almost always a thermodynamically favorable process. We consider the variation in stability between different categories of systems—hydrogen-bonded, halogen-bonded, and weakly bound cocrystals—finding that, contrary to chemical intuition, the presence of hydrogen or halogen bond interactions is not necessarily a good predictor of stability. Finally, we investigate the correlation of the relative stability with simple chemical descriptors: changes in packing efficiency and hydrogen bond strength. We find some broad qualitative agreement with chemical intuition—more densely packed cocrystals with stronger hydrogen bonding tend to be more stable—but the relationship is weak, suggesting that such simple descriptors do not capture the complex balance of interactions driving cocrystallization. Our conclusions suggest that while cocrystallization is often a thermodynamically favorable process, it remains difficult to formulate general rules to guide synthesis, highlighting the continued importance of high-level computation in predicting and rationalizing such systems. PMID:29445316

Evaluating the Energetic Driving Force for Cocrystal Formation.

PubMed

Taylor, Christopher R; Day, Graeme M

2018-02-07

We present a periodic density functional theory study of the stability of 350 organic cocrystals relative to their pure single-component structures, the largest study of cocrystals yet performed with high-level computational methods. Our calculations demonstrate that cocrystals are on average 8 kJ mol -1 more stable than their constituent single-component structures and are very rarely (<5% of cases) less stable; cocrystallization is almost always a thermodynamically favorable process. We consider the variation in stability between different categories of systems-hydrogen-bonded, halogen-bonded, and weakly bound cocrystals-finding that, contrary to chemical intuition, the presence of hydrogen or halogen bond interactions is not necessarily a good predictor of stability. Finally, we investigate the correlation of the relative stability with simple chemical descriptors: changes in packing efficiency and hydrogen bond strength. We find some broad qualitative agreement with chemical intuition-more densely packed cocrystals with stronger hydrogen bonding tend to be more stable-but the relationship is weak, suggesting that such simple descriptors do not capture the complex balance of interactions driving cocrystallization. Our conclusions suggest that while cocrystallization is often a thermodynamically favorable process, it remains difficult to formulate general rules to guide synthesis, highlighting the continued importance of high-level computation in predicting and rationalizing such systems.

Complexity is simple!

NASA Astrophysics Data System (ADS)

Cottrell, William; Montero, Miguel

2018-02-01

In this note we investigate the role of Lloyd's computational bound in holographic complexity. Our goal is to translate the assumptions behind Lloyd's proof into the bulk language. In particular, we discuss the distinction between orthogonalizing and `simple' gates and argue that these notions are useful for diagnosing holographic complexity. We show that large black holes constructed from series circuits necessarily employ simple gates, and thus do not satisfy Lloyd's assumptions. We also estimate the degree of parallel processing required in this case for elementary gates to orthogonalize. Finally, we show that for small black holes at fixed chemical potential, the orthogonalization condition is satisfied near the phase transition, supporting a possible argument for the Weak Gravity Conjecture first advocated in [1].

Modeling VLF signal modulation during solar flares with GEANT4 Monte Carlo simulation, a simple chemical model and LWPC

NASA Astrophysics Data System (ADS)

Palit, Sourav; Chakrabarti, Sandip Kumar; Pal, Sujay; Basak, Tamal

Extra ionization by X-rays during solar flares affects VLF signal propagation through D-region ionosphere. Ionization produced in the lower ionosphere due to X-ray spectra of solar flares are simulated with an efficient detector simulation program, GEANT4. The balancing between the ionization and loss processes, causing the lower ionosphere to settle back to its undisturbed state is handled with a simple chemical model consisting of four broad species of ion densities. Using the electron densities, modified VLF signal amplitude is then computed with LWPC code. VLF signal along NWC (Australia) to IERC/ICSP (India) propagation path is examined during a M and a X-type solar flares and observational deviations are compared with simulated results. The agreement is found to be excellent.

A simple analytical model for signal amplification by reversible exchange (SABRE) process.

PubMed

Barskiy, Danila A; Pravdivtsev, Andrey N; Ivanov, Konstantin L; Kovtunov, Kirill V; Koptyug, Igor V

2016-01-07

We demonstrate an analytical model for the description of the signal amplification by reversible exchange (SABRE) process. The model relies on a combined analysis of chemical kinetics and the evolution of the nuclear spin system during the hyperpolarization process. The presented model for the first time provides rationale for deciding which system parameters (i.e. J-couplings, relaxation rates, reaction rate constants) have to be optimized in order to achieve higher signal enhancement for a substrate of interest in SABRE experiments.

Improved nutrient removal using in situ continuous on-line sensors with short response time.

PubMed

Ingildsen, P; Wendelboe, H

2003-01-01

Nutrient sensors that can be located directly in the activated sludge processes are gaining in number at wastewater treatment plants. The in situ location of the sensors means that they can be located close to the processes that they aim to control and hence are perfectly suited for automatic process control. Compared to the location of automatic analysers in the effluent from the sedimentation reactors the in situ location means a large reduction in the response time. The settlers typically work as a first-order delay on the signal with a retention time in the range of 4-12 hours depending on the size of the settlers. Automatic process control of the nitrogen and phosphorus removal processes means that considerable improvements in the performance of aeration, internal recirculation, carbon dosage and phosphate precipitation dosage can be reached by using a simple control structure as well as simple PID controllers. The performance improvements can be seen in decreased energy and chemicals consumption and less variation in effluent concentrations of ammonium, total nitrogen and phosphate. Simple control schemes are demonstrated for the pre-denitrification and the post precipitation system by means of full-scale plant experiments and model simulations.

A strategy for design and fabrication of low cost microchannel for future reproductivity of bio/chemical lab-on-chip application

NASA Astrophysics Data System (ADS)

Humayun, Q.; Hashim, U.; Ruzaidi, C. M.; Noriman, N. Z.

2017-03-01

The fabrication and characterization of sensitive and selective fluids delivery system for the application of nano laboratory on a single chip is a challenging task till to date. This paper is one of the initial attempt to resolve this challenging task by using a simple, cost effective and reproductive technique for pattering a microchannel structures on SU-8 resist. The objective of the research is to design, fabricate and characterize polydimethylsiloxane (PDMS) microchannel. The proposed device mask was designed initially by using AutoCAD software and then the designed was transferred to transparency sheet and to commercial chrome mask for better photo masking process. The standard photolithography process coupled with wet chemical etching process was used for the fabrication of proposed microchannel. This is a low cost fabrication technique for the formation of microchannel structure at resist. The fabrication process start from microchannel formation and then the structure was transformed to PDMS substrate, the microchannel structure was cured from mold and then the cured mold was bonded with the glass substrate by plasma oxidation bonding process. The surface morphology was characterized by high power microscope (HPM) and the structure was characterized by Hawk 3 D surface nanoprofiler. The next part of the research will be focus onto device testing and validation by using real biological samples by the implementation of a simple manual injection technique.

Translocation of a Polymer Chain across a Nanopore: A Brownian Dynamics Simulation Study

NASA Technical Reports Server (NTRS)

Tian, Pu; Smith, Grant D.

2003-01-01

We carried out Brownian dynamics simulation studies of the translocation of single polymer chains across a nanosized pore under the driving of an applied field (chemical potential gradient). The translocation process can be either dominated by the entropic barrier resulted from restricted motion of flexible polymer chains or by applied forces (or chemical gradient across the wall), we focused on the latter case in our studies. Calculation of radius of gyrations at the two opposite sides of the wall shows that the polymer chains are not in equilibrium during the translocation process. Despite this fact, our results show that the one-dimensional diffusion and the nucleation model provide an excellent description of the dependence of average translocation time on the chemical potential gradients, the polymer chain length and the solvent viscosity. In good agreement with experimental results and theoretical predictions, the translocation time distribution of our simple model shows strong non-Gaussian characteristics. It is observed that even for this simple tubelike pore geometry, more than one peak of translocation time distribution can be generated for proper pore diameter and applied field strengths. Both repulsive Weeks-Chandler-Anderson and attractive Lennard-Jones polymer-nanopore interaction were studied, attraction facilitates the translocation process by shortening the total translocation time and dramatically improve the capturing of polymer chain. The width of the translocation time distribution was found to decrease with increasing temperature, increasing field strength, and decreasing pore diameter.

Fabrication of silicon-based shape memory alloy micro-actuators

NASA Technical Reports Server (NTRS)

Johnson, A. David; Busch, John D.; Ray, Curtis A.; Sloan, Charles L.

1992-01-01

Thin film shape memory alloy has been integrated with silicon in a new actuation mechanism for microelectromechanical systems. This paper compares nickel-titanium film with other actuators, describes recent results of chemical milling processes developed to fabricate shape memory alloy microactuators in silicon, and describes simple actuation mechanisms which have been fabricated and tested.

The Length of a Pestle: A Class Exercise in Measurement and Statistical Analysis.

ERIC Educational Resources Information Center

O'Reilly, James E.

1986-01-01

Outlines the simple exercise of measuring the length of an object as a concrete paradigm of the entire process of making chemical measurements and treating the resulting data. Discusses the procedure, significant figures, measurement error, spurious data, rejection of results, precision and accuracy, and student responses. (TW)

MODELING NON-PRECIPITATING CUMULUS CLOUDS AS FLOW-THROUGH-REACTOR TRANSFORMER AND VENTING TRANSPORTER OF MIXED LAYER POLLUTANTS

EPA Science Inventory

A simple diagnostic model of cumulus convective clouds is developed and used in a sensitivity study to examine the extent to which the rate of change of mixed and cloud layer pollutant concentration is influenced by vertical transport and chemical transformation processes occurri...

System for Odorless Disposal of Human Waste

NASA Technical Reports Server (NTRS)

Jennings, Dave; Lewis, Tod

1987-01-01

Conceptual system provides clean, hygienic storage. Disposal system stores human wastes compactly. Releases no odor or bacteria and requires no dangerous chemicals or unpleasant handling. Stabilizes waste by natural process of biodegradation in which microbial activity eventually ceases and ordors and bacteria reduced to easily contained levels. Simple and reliable and needs little maintenance.

Fluidized bed coal desulfurization

NASA Technical Reports Server (NTRS)

Ravindram, M.

1983-01-01

Laboratory scale experiments were conducted on two high volatile bituminous coals in a bench scale batch fluidized bed reactor. Chemical pretreatment and posttreatment of coals were tried as a means of enhancing desulfurization. Sequential chlorination and dechlorination cum hydrodesulfurization under modest conditions relative to the water slurry process were found to result in substantial sulfur reductions of about 80%. Sulfur forms as well as proximate and ultimate analyses of the processed coals are included. These studies indicate that a fluidized bed reactor process has considerable potential for being developed into a simple and economic process for coal desulfurization.

Edible holography: the application of holographic techniques to food processing

NASA Astrophysics Data System (ADS)

Begleiter, Eric

1991-07-01

Reports on current research efforts in the application of holographic techniques to food processing. Through a simple and inexpensive production process, diffractive and holographic effects of color, depth, and motion can be transferred to edible products. Processes are discussed which can provide a competitive advantage to the marketing of a diverse group of sugar and non-sugar-based consumable products, i.e. candies, chocolates, lollipops, snacks, cereals and pharmaceuticals. Techniques, applications, and products are investigated involving the shift from a chemical to a physical basis for the production of food coloring and decorating.

System and process for capture of H.sub.2S from gaseous process streams and process for regeneration of the capture agent

DOEpatents

Heldenbrant, David J; Koech, Phillip K; Rainbolt, James E; Bearden, Mark D; Zheng, Feng

2014-02-18

A system and process are disclosed for selective removal and recovery of H.sub.2S from a gaseous volume, e.g., from natural gas. Anhydrous organic, sorbents chemically capture H.sub.2S gas to form hydrosulfide salts. Regeneration of the capture solvent involves addition of an anti-solvent that releases the captured H.sub.2S gas from the capture sorbent. The capture sorbent and anti-solvent are reactivated for reuse, e.g., by simple distillation.

Sb-Te alloy nanostructures produced on a graphite surface by a simple annealing process

NASA Astrophysics Data System (ADS)

Kuwahara, Masashi; Uratsuji, Hideaki; Abe, Maho; Sone, Hayato; Hosaka, Sumio; Sakai, Joe; Uehara, Yoichi; Endo, Rie; Tsuruoka, Tohru

2015-08-01

We have produced Sb-Te alloy nanostructures from a thin Sb2Te3 layer deposited on a highly oriented pyrolytic graphite substrate using a simple rf-magnetron sputtering and annealing technique. The size, shape, and chemical composition of the structures were investigated by scanning electron microscopy (SEM), atomic force microscopy (AFM), and energy dispersive X-ray spectrometry (EDX), respectively. The shape of the nanostructures was found to depend on the annealing temperature; nanoparticles appear on the substrate by annealing at 200 °C, while nanoneedles are formed at higher temperatures. Chemical composition analysis has revealed that all the structures were in the composition of Sb:Te = 1:3, Te rich compared to the target composition Sb2Te3, probably due to the higher movability of Te atoms on the substrate compared with Sb. We also tried to observe the production process of nanostructures in situ using SEM. Unfortunately, this was not possible because of evaporation in vacuum, suggesting that the formation of nanostructures is highly sensitive to the ambient pressure.

Investigation on structural and optical properties of ZnO film prepared by simple wet chemical method

NASA Astrophysics Data System (ADS)

Sholehah, Amalia; Mulyadi, Rendi; Haryono, Didied; Muttakin, Imamul; Rusbana, Tb Bahtiar; Mardiyanto

2018-04-01

ZnO thin layer has a broad potential application in electronic and optoelectronic devices. In this study, vertically align ZnO layers were deposited on ITO glass using wet chemistry method. The seed layers were prepared using electrodeposition technique at 3°C. The growing process was carried out using chemical bath deposition at 90°C. To improve the structural properties, two different hydrothermal treatment variations were applied separately. From the experiment, it is shown that the hydrothermal process using N2 gas has given the best result, with average diameter, crystallite size, and band-gap energy of 68.83 nm; 56.37 nm; and 3.16 eV, respectively.

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

Townsend, D.W.; Linnhoff, B.

In Part I, criteria for heat engine and heat pump placement in chemical process networks were derived, based on the ''temperature interval'' (T.I) analysis of the heat exchanger network problem. Using these criteria, this paper gives a method for identifying the best outline design for any combined system of chemical process, heat engines, and heat pumps. The method eliminates inferior alternatives early, and positively leads on to the most appropriate solution. A graphical procedure based on the T.I. analysis forms the heart of the approach, and the calculations involved are simple enough to be carried out on, say, a programmablemore » calculator. Application to a case study is demonstrated. Optimization methods based on this procedure are currently under research.« less

The conversion of lignocellulosics to fermentable sugars - A survey of current research and applications to CELSS

NASA Technical Reports Server (NTRS)

Petersen, Gene R.; Baresi, Larry

1990-01-01

This report provides an overview options for converting lignocellulosics into fermentable sugars in CELSS. A requirement for pretreatment is shown. Physical-chemical and enzymatic hydrolysis processes for producing fermentable sugars are discussed. At present physical-chemical methods are the simplest and best characterized options, but enzymatic processes will be the likely method of choice in the future. The use of pentose sugars by microorganisms to produce edibles is possible. The use of mycelial food production on pretreated but not hydrolyzed lignocellulosics is also possible. Simple trade-off analyses to regenerate waste lignocellulosics for two pathways are made, one of which is compared to complete oxidation.

Numerical Simulation of the Detonation of Condensed Explosives

NASA Astrophysics Data System (ADS)

Wang, Cheng; Ye, Ting; Ning, Jianguo

Detonation process of a condensed explosive was simulated using a finite difference method. Euler equations were applied to describe the detonation flow field, an ignition and growth model for the chemical reaction and Jones-Wilkins-Lee (JWL) equations of state for the state of explosives and detonation products. Based on the simple mixture rule that assumes the reacting explosives to be a mixture of the reactant and product components, 1D and 2D codes were developed to simulate the detonation process of high explosive PBX9404. The numerical results are in good agreement with the experimental results, which demonstrates that the finite difference method, mixture rule and chemical reaction proposed in this paper are adequate and feasible.

Seismological Signature of Chemical Differentiation of Earth's Upper Mantle

NASA Astrophysics Data System (ADS)

Matsukage, K. N.; Nishihara, Y.; Karato, S.

2004-12-01

Chemical differentiation from a primitive rock (such as pyrolite) to harzburgite due to partial melting and melt extraction is one of the most important mechanisms that causes the chemical heterogeneity in Earth's upper mantle. In this study, we investigate the seismic signature of chemical differentiation that helps mapping chemical heterogeneity in the upper mantle. The relation between chemical differentiation and its seismological signature is not straightforward because a large number of unknown parameters are involved although the seismological observations provide only a few parameters (e.g., VP, VS, QP). Therefore it is critical to identify a small number of parameters by which the gross trend of chemical evolution can be described. The variation in major element composition in natural samples reflect complicated processes that include not only partial melting but also other complex processes (e.g., metasomatism, influx melting). We investigate the seismic velocities of hypothetical but well-defined simple chemical differentiation processes (e.g., partial melting of various pressure conditions, addition of Si-rich melt or fluid), which cover the chemical variation of the natural mantle peridotites with various tectonic settings (mid ocean ridge, island arc and continent). The seismic velocities of the peridotites were calculated to 13 GPa and 1730 K. We obtained two major conclusions. First is that the variations of seismic velocities of upper mantle peridotites can be interpreted in terms of a few distinct parameters. For one class of peridotites which is formed by simple partial melting (e.g. mid-ocean ridges peridotites), seismic velocities can be described in terms of one parameter, namely Mg# (=Mg/(Mg+Fe) atomic ratio). In contrast, some of the peridotites in the continental (cratonic) environment with high silica content and high Mg# need at least two parameters (such as Mg# and Opx# (the volume fraction of orthopyroxene)) are needed to characterize their seismic velocities. Second is the jump of seismic velocity at 300 km in harzburgite that is caused by orthorhombic (opx) to high-pressure monoclinic phase transition in MgSiO3 pyroxene. If opx-rich harzburgite (the maximum content of opx in continental harzburgite is ˜45 vol%) exists at around 300km, the maximum contrast of jump would be 2.5 % for VS and 0.9 % for VP. This phase transition will correspond to the seismological discontinuity around 300km (X-discontinuity).

Wide angle near-field optical probes by reverse tube etching.

PubMed

Patanè, S; Cefalì, E; Arena, A; Gucciardi, P G; Allegrini, M

2006-04-01

We present a simple modification of the tube etching process for the fabrication of fiber probes for near-field optical microscopy. It increases the taper angle of the probe by a factor of two. The novelty is that the fiber is immersed in hydrofluoric acid and chemically etched in an upside-down geometry. The tip formation occurs inside the micrometer tube cavity formed by the polymeric jacket. By applying this approach, called reverse tube etching, to multimode fibers with 200/250 microm core/cladding diameter, we have fabricated tapered regions featuring high surface smoothness and average cone angles of approximately 30 degrees . A simple model based on the crucial role of the gravity in removing the etching products, explains the tip formation process.

Rapid, chemical-free breaking of microfluidic emulsions with a hand-held antistatic gun

PubMed Central

Shahi, Payam; Abate, Adam R.

2017-01-01

Droplet microfluidics can form and process millions of picoliter droplets with speed and ease, allowing the execution of huge numbers of biological reactions for high-throughput studies. However, at the conclusion of most experiments, the emulsions must be broken to recover and analyze their contents. This is usually achieved with demulsifiers, like perfluorooctanol and chloroform, which can interfere with downstream reactions and harm cells. Here, we describe a simple approach to rapidly and efficiently break microfluidic emulsions, which requires no chemicals. Our method allows one-pot multi-step reactions, making it useful for large scale automated processing of reactions requiring demulsification. Using a hand-held antistatic gun, we pulse emulsions with the electric field, coalescing ∼100 μl of droplets in ∼10 s. We show that while emulsions broken with chemical demulsifiers exhibit potent PCR inhibition, the antistatic-broken emulsions amplify efficiently. The ability to break emulsions quickly without chemicals should make our approach valuable for most demulsification needs in microfluidics. PMID:28794817

Energy conversion in isothermal nonlinear irreversible processes - struggling for higher efficiency

NASA Astrophysics Data System (ADS)

Ebeling, W.; Feistel, R.

2017-06-01

First we discuss some early work of Ulrike Feudel on structure formation in nonlinear reactions including ions and the efficiency of the conversion of chemical into electrical energy. Then we give some survey about isothermal energy conversion from chemical to higher forms of energy like mechanical, electrical and ecological energy. Isothermal means here that there are no temperature gradients within the model systems. We consider examples of energy conversion in several natural processes and in some devices like fuel cells. Further, as an example, we study analytically the dynamics and efficiency of a simple "active circuit" converting chemical into electrical energy and driving currents which is roughly modeling fuel cells. Finally we investigate an analogous ecological system of Lotka-Volterra type consisting of an "active species" consuming some passive "chemical food". We show analytically for both these models that the efficiency increases with the load, reaches values higher then 50 percent in a narrow regime of optimal load and goes beyond some maximal load abruptly to zero.

Longitudinal relaxation optimized amide 1H-CEST experiments for studying slow chemical exchange processes in fully protonated proteins.

PubMed

Yuwen, Tairan; Kay, Lewis E

2017-04-01

Chemical Exchange Saturation Transfer (CEST) experiments are increasingly used to study slow timescale exchange processes in biomolecules. Although 15 N- and 13 C-CEST have been the approaches of choice, the development of spin state selective 1 H-CEST pulse sequences that separate the effects of chemical and dipolar exchange [T. Yuwen, A. Sekhar and L. E. Kay, Angew Chem Int Ed Engl 2016 doi: 10.1002/anie.201610759 (Yuwen et al. 2017)] significantly increases the utility of 1 H-based experiments. Pulse schemes have been described previously for studies of highly deuterated proteins. We present here longitudinal-relaxation optimized amide 1 H-CEST experiments for probing chemical exchange in protonated proteins. Applications involving a pair of proteins are presented establishing that accurate 1 H chemical shifts of sparsely populated conformers can be obtained from simple analyses of 1 H-CEST profiles. A discussion of the inherent differences between 15 N-/ 13 C- and 1 H-CEST experiments is presented, leading to an optimal strategy for recording 1 H-CEST experiments.

Application of response surface methodology (RSM) for optimizing coagulation process of paper recycling wastewater using Ocimum basilicum.

PubMed

Mosaddeghi, Mohammad Reza; Pajoum Shariati, Farshid; Vaziri Yazdi, Seyed Ali; Nabi Bidhendi, Gholamreza

2018-06-21

The wastewater produced in a pulp and paper industry is one of the most polluted industrial wastewaters, and therefore its treatment requires complex processes. One of the simple and feasible processes in pulp and paper wastewater treatment is coagulation and flocculation. Overusing a chemical coagulant can produce a large volume of sludge and increase costs and health concerns. Therefore, the use of natural and plant-based coagulants has been recently attracted the attention of researchers. One of the advantages of using Ocimum basilicum as a coagulant is a reduction in the amount of chemical coagulant required. In this study, the effect of basil mucilage has been investigated as a plant-based coagulant together with alum for treatment of paper recycling wastewater. Response surface methodology (RSM) was used to optimize the process of chemical coagulation based on a central composite rotatable design (CCRD). Quadratic models for colour reduction and TSS removal with coefficients of determination of R 2 >96 were obtained using the analysis of variance. Under optimal conditions, removal efficiencies of colour and total suspended solids (TSS) were 85% and 82%, respectively.

Cooking with Active Oxygen and Solid Alkali: A Promising Alternative Approach for Lignocellulosic Biorefineries.

PubMed

Jiang, Yetao; Zeng, Xianhai; Luque, Rafael; Tang, Xing; Sun, Yong; Lei, Tingzhou; Liu, Shijie; Lin, Lu

2017-10-23

Lignocellulosic biomass, a matrix of biopolymers including cellulose, hemicellulose, and lignin, has gathered increasing attention in recent years for the production of chemicals, fuels, and materials through biorefinery processes owing to its renewability and availability. The fractionation of lignocellulose is considered to be the fundamental step to establish an economical and sustainable lignocellulosic biorefinery. In this Minireview, we summarize a newly developed oxygen delignification for lignocellulose fractionation called cooking with active oxygen and solid alkali (CAOSA), which can fractionate lignocellulose into its constituents and maintain its processable form. In the CAOSA approach, environmentally friendly chemicals are applied instead of undesirable chemicals such as strong alkalis and sulfides. Notably, the alkali recovery for this process promises to be relatively simple and does not require causticizing or sintering. These features make the CAOSA process an alternative for both lignocellulose fractionation and biomass pretreatment. The advantages and challenges of CAOSA are also discussed to provide a comprehensive perspective with respect to existing strategies. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Polymer optical fiber tapering using chemical solvent and polishing

NASA Astrophysics Data System (ADS)

Supian, L. S.; Syuhaimi Ab-Rahman, Mohd; Arsad, Norhana

2017-11-01

A method for developing polymer optical fiber (POF) directional coupler is introduced where the initial procedure includes using chemical solvent to remove the cladding, and bare out the core in order to align the unclad center of the fiber with other similar fiber to develop a coupler. The process is safe, simple, inexpensive and require low operation skill. The etched fiber offers improvement to the performance of various POF devices, i.e, couplers and sensors. Instead of relying only on silica or glass fiber, POF now can be used as an alternative to improve the network performance in short distance communication system. The measurement parameters laid out offer great outcomes. However, the couplers intended to be developed is yet to be realized, where deeper research and various experiments are needed in order to develop a simple but optimum performance coupler that can be used for various applications.

Chiral encoding may provide a simple solution to the origin of life

NASA Astrophysics Data System (ADS)

Brewer, Ashley; Davis, Anthony P.

2014-07-01

The route by which the complex and specific molecules of life arose from the 'prebiotic soup' remains an unsolved problem. Evolution provides a large part of the answer, but this requires molecules that can carry information (that is, exist in many variants) and can replicate themselves. The process is commonplace in living organisms, but not so easy to achieve with simple chemical systems. It is especially difficult to contemplate in the chemical chaos of the prebiotic world. Although popular in many quarters, the notion that RNA was the first self-replicator carries many difficulties. Here, we present an alternative view, suggesting that there may be undiscovered self-replication mechanisms possible in much simpler systems. In particular, we highlight the possibility of information coding through stereochemical configurations of substituents in organic polymers. We also show that this coding system leads naturally to enantiopurity, solving the apparent problem of biological homochirality.

Recent advances in the in silico modelling of UDP glucuronosyltransferase substrates.

PubMed

Sorich, Michael J; Smith, Paul A; Miners, John O; Mackenzie, Peter I; McKinnon, Ross A

2008-01-01

UDP glucurononosyltransferases (UGT) are a superfamily of enzymes that catalyse the conjugation of a range of structurally diverse drugs, environmental and endogenous chemicals with glucuronic acid. This process plays a significant role in the clearance and detoxification of many chemicals. Over the last decade the regulation and substrate profiles of UGT isoforms have been increasingly characterised. The resulting data has facilitated the prototyping of ligand based in silico models capable of predicting, and gaining insights into, binding affinity and the substrate- and regio- selectivity of glucuronidation by UGT isoforms. Pharmacophore modelling has produced particularly insightful models and quantitative structure-activity relationships based on machine learning algorithms result in accurate predictions. Simple structural chemical descriptors were found to capture much of the chemical information relevant to UGT metabolism. However, quantum chemical properties of molecules and the nucleophilic atoms in the molecule can enhance both the predictivity and chemical intuitiveness of structure-activity models. Chemical diversity analysis of known substrates has shown some bias towards chemicals with aromatic and aliphatic hydroxyl groups. Future progress in in silico development will depend on larger and more diverse high quality metabolic datasets. Furthermore, improved protein structure data on UGTs will enable the application of structural modelling techniques likely leading to greater insight into the binding and reactive processes of UGT catalysed glucuronidation.

Premixed autoignition in compressible turbulence

NASA Astrophysics Data System (ADS)

Konduri, Aditya; Kolla, Hemanth; Krisman, Alexander; Chen, Jacqueline

2016-11-01

Prediction of chemical ignition delay in an autoignition process is critical in combustion systems like compression ignition engines and gas turbines. Often, ignition delay times measured in simple homogeneous experiments or homogeneous calculations are not representative of actual autoignition processes in complex turbulent flows. This is due the presence of turbulent mixing which results in fluctuations in thermodynamic properties as well as chemical composition. In the present study the effect of fluctuations of thermodynamic variables on the ignition delay is quantified with direct numerical simulations of compressible isotropic turbulence. A premixed syngas-air mixture is used to remove the effects of inhomogeneity in the chemical composition. Preliminary results show a significant spatial variation in the ignition delay time. We analyze the topology of autoignition kernels and identify the influence of extreme events resulting from compressibility and intermittency. The dependence of ignition delay time on Reynolds and turbulent Mach numbers is also quantified. Supported by Basic Energy Sciences, Dept of Energy, United States.

Comprehensive Chemical Fingerprinting of High-Quality Cocoa at Early Stages of Processing: Effectiveness of Combined Untargeted and Targeted Approaches for Classification and Discrimination.

PubMed

Magagna, Federico; Guglielmetti, Alessandro; Liberto, Erica; Reichenbach, Stephen E; Allegrucci, Elena; Gobino, Guido; Bicchi, Carlo; Cordero, Chiara

2017-08-02

This study investigates chemical information of volatile fractions of high-quality cocoa (Theobroma cacao L. Malvaceae) from different origins (Mexico, Ecuador, Venezuela, Columbia, Java, Trinidad, and Sao Tomè) produced for fine chocolate. This study explores the evolution of the entire pattern of volatiles in relation to cocoa processing (raw, roasted, steamed, and ground beans). Advanced chemical fingerprinting (e.g., combined untargeted and targeted fingerprinting) with comprehensive two-dimensional gas chromatography coupled with mass spectrometry allows advanced pattern recognition for classification, discrimination, and sensory-quality characterization. The entire data set is analyzed for 595 reliable two-dimensional peak regions, including 130 known analytes and 13 potent odorants. Multivariate analysis with unsupervised exploration (principal component analysis) and simple supervised discrimination methods (Fisher ratios and linear regression trees) reveal informative patterns of similarities and differences and identify characteristic compounds related to sample origin and manufacturing step.

Silicon nanowire photodetectors made by metal-assisted chemical etching

NASA Astrophysics Data System (ADS)

Xu, Ying; Ni, Chuan; Sarangan, Andrew

2016-09-01

Silicon nanowires have unique optical effects, and have potential applications in photodetectors. They can exhibit simple optical effects such as anti-reflection, but can also produce quantum confined effects. In this work, we have fabricated silicon photodetectors, and then post-processed them by etching nanowires on the incident surface. These nanowires were produced by a wet-chemical etching process known as the metal-assisted-chemical etching, abbreviated as MACE. N-type silicon substrates were doped by thermal diffusion from a solid ceramic source, followed by etching, patterning and contact metallization. The detectors were first tested for functionality and optical performance. The nanowires were then made by depositing an ultra-thin film of gold below its percolation thickness to produce an interconnected porous film. This was then used as a template to etch high aspect ratio nanowires into the face of the detectors with a HF:H2O2 mixture.

Effects of a modular two-step ozone-water and annealing process on silicon carbide graphene

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

Webb, Matthew J., E-mail: matthew.webb@cantab.net; Lundstedt, Anna; Grennberg, Helena

By combining ozone and water, the effect of exposing epitaxial graphene on silicon carbide to an aggressive wet-chemical process has been evaluated after high temperature annealing in ultra high vacuum. The decomposition of ozone in water produces a number of oxidizing species, however, despite long exposure times to the aqueous-ozone environment, no graphene oxide was observed after the two-step process. The systems were comprehensively characterized before and after processing using Raman spectroscopy, core level photoemission spectroscopy, and angle resolved photoemission spectroscopy together with low energy electron diffraction, low energy electron microscopy, and atomic force microscopy. In spite of the chemicalmore » potential of the aqueous-ozone reaction environment, the graphene domains were largely unaffected raising the prospect of employing such simple chemical and annealing protocols to clean or prepare epitaxial graphene surfaces.« less

High Fidelity Tape Transfer Printing Based On Chemically Induced Adhesive Strength Modulation

NASA Astrophysics Data System (ADS)

Sim, Kyoseung; Chen, Song; Li, Yuhang; Kammoun, Mejdi; Peng, Yun; Xu, Minwei; Gao, Yang; Song, Jizhou; Zhang, Yingchun; Ardebili, Haleh; Yu, Cunjiang

2015-11-01

Transfer printing, a two-step process (i.e. picking up and printing) for heterogeneous integration, has been widely exploited for the fabrication of functional electronics system. To ensure a reliable process, strong adhesion for picking up and weak or no adhesion for printing are required. However, it is challenging to meet the requirements of switchable stamp adhesion. Here we introduce a simple, high fidelity process, namely tape transfer printing(TTP), enabled by chemically induced dramatic modulation in tape adhesive strength. We describe the working mechanism of the adhesion modulation that governs this process and demonstrate the method by high fidelity tape transfer printing several types of materials and devices, including Si pellets arrays, photodetector arrays, and electromyography (EMG) sensors, from their preparation substrates to various alien substrates. High fidelity tape transfer printing of components onto curvilinear surfaces is also illustrated.

Purification process for vertically aligned carbon nanofibers

NASA Technical Reports Server (NTRS)

Nguyen, Cattien V.; Delziet, Lance; Matthews, Kristopher; Chen, Bin; Meyyappan, M.

2003-01-01

Individual, free-standing, vertically aligned multiwall carbon nanotubes or nanofibers are ideal for sensor and electrode applications. Our plasma-enhanced chemical vapor deposition techniques for producing free-standing and vertically aligned carbon nanofibers use catalyst particles at the tip of the fiber. Here we present a simple purification process for the removal of iron catalyst particles at the tip of vertically aligned carbon nanofibers derived by plasma-enhanced chemical vapor deposition. The first step involves thermal oxidation in air, at temperatures of 200-400 degrees C, resulting in the physical swelling of the iron particles from the formation of iron oxide. Subsequently, the complete removal of the iron oxide particles is achieved with diluted acid (12% HCl). The purification process appears to be very efficient at removing all of the iron catalyst particles. Electron microscopy images and Raman spectroscopy data indicate that the purification process does not damage the graphitic structure of the nanotubes.

New fermentation processes for producing itaconic acid and citric acid for industrial uses

USDA-ARS?s Scientific Manuscript database

Itaconic acid is an important industrial chemical that we have produced by fermentation of simple sugars using the yeast Pseudozyma antarctica. Itaconic acid is priced at ~$4 per kg and has an annual market volume of about 15,000 metric tons. Itaconic acid is used in the polymer industry and for m...

Manufacture of mold of polymeric composite water pipe reinforced charcoal

NASA Astrophysics Data System (ADS)

Zulfikar; Misdawati; Idris, M.; Nasution, F. K.; Harahap, U. N.; Simanjuntak, R. K.; Jufrizal; Pranoto, S.

2018-03-01

In general, household wastewater pipelines currently use thermoplastic pipes of Polyvinyl Chloride (PVC). This material is known to be not high heat resistant, contains hazardous chemicals (toxins), relatively inhospitable, and relatively more expensive. Therefore, researchers make innovations utilizing natural materials in the form of wood charcoal as the basic material of making the water pipe. Making this pipe requires a simple mold design that can be worked in the scale of household and intermediate industries. This research aims to produce water pipe mold with simple design, easy to do, and making time relatively short. Some considerations for molding materials are weight of mold, ease of raw material, strong, sturdy, and able to cast. Pipe molds are grouped into 4 (four) main parts, including: outer diameter pipe molding, pipe inside diameter, pipe holder, and pipe alignment control. Some materials have been tested as raw materials for outer diameter of pipes, such as wood, iron / steel, cement, and thermoset. The best results are obtained on thermoset material, where the process of disassembling is easier and the resulting mold weight is relatively lighter. For the inside diameter of the pipe is used stainless steel, because in addition to be resistant to chemical processes that occur, in this part of the mold must hold the press load due to shrinkage of raw materials of the pipe during the process of hardening (polymerization). Therefore, it needs high pressure resistant material and does not blend with the raw material of the pipe. The base of the mold is made of stainless steel material because it must be resistant to corrosion due to chemical processes. As for the adjustment of the pipe is made of ST 37 carbon steel, because its function is only as a regulator of the alignment of the pipe structure.

Borate esters: Simple catalysts for the sustainable synthesis of complex amides

PubMed Central

Sabatini, Marco T.; Boulton, Lee T.; Sheppard, Tom D.

2017-01-01

Chemical reactions for the formation of amide bonds are among the most commonly used transformations in organic chemistry, yet they are often highly inefficient. A novel protocol for amidation using a simple borate ester catalyst is reported. The process presents significant improvements over other catalytic amidation methods in terms of efficiency and safety, with an unprecedented substrate scope including functionalized heterocycles and even unprotected amino acids. The method was used to access a wide range of functionalized amide derivatives, including pharmaceutically relevant targets, important synthetic intermediates, a catalyst, and a natural product. PMID:28948222

Heat pipe life and processing study

NASA Technical Reports Server (NTRS)

Antoniuk, D.; Luedke, E. E.

1979-01-01

The merit of adding water to the reflux charge in chemically and solvent cleaned aluminum/slab wick/ammonia heat pipes was evaluated. The effect of gas in the performance of three heat pipe thermal control systems was found significant in simple heat pipes, less significant in a modified simple heat pipe model with a short wickless pipe section. Use of gas data for the worst and best heat pipes of the matrix in a variable conductance heat pipe model showed a 3 C increase in the source temperature at full on condition after 20 and 246 years, respectively.

A novel eco-friendly technique for efficient control of lime water softening process.

PubMed

Ostovar, Mohamad; Amiri, Mohamad

2013-12-01

Lime softening is an established type of water treatment used for water softening. The performance of this process is highly dependent on lime dosage. Currently, lime dosage is adjusted manually based on chemical tests, aimed at maintaining the phenolphthalein (P) and total (M) alkalinities within a certain range (2 P - M > or = 5). In this paper, a critical study of the softening process has been presented. It has been shown that the current method is frequently incorrect. Furthermore, electrical conductivity (EC) has been introduced as a novel indicator for effectively characterizing the lime softening process.This novel technique has several advantages over the current alkalinities method. Because no chemical reagents are needed for titration, which is a simple test, there is a considerable reduction in test costs. Additionally, there is a reduction in the treated water hardness and generated sludge during the lime softening process. Therefore, it is highly eco-friendly, and is a very cost effective alternative technique for efficient control of the lime softening process.

Development of an alkaline/surfactant/polymer compositional reservoir simulator

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

Bhuyan, D.

1989-01-01

The mathematical formulation of a generalized three-dimensional compositional reservoir simulator for high-pH chemical flooding processes is presented in this work. The model assumes local thermodynamic equilibrium with respect to both reaction chemistry and phase behavior and calculates equilibrium electrolyte and phase compositions as a function of time and position. The reaction chemistry considers aqueous electrolytic chemistry, precipitation/dissolution of minerals, ion exchange reactions on matrix surface, reaction of acidic components of crude oil with the bases in the aqueous solution and cation exchange reactions with the micelles. The simulator combines this detailed reaction chemistry associated with these processes with the extensivemore » physical and flow property modeling schemes of an existing chemical flood simulator (UTCHEM) to model the multiphase, multidimensional displacement processes. The formulation of the chemical equilibrium model is quite general and is adaptable to simulate a variety of chemical descriptions. In addition to its use in the simulation of high-pH chemical flooding processes, the model will find application in the simulation of other reactive flow problems like the ground water contamination, reinjection of produced water, chemical waste disposal, etc. in one, two or three dimensions and under multiphase flow conditions. In this work, the model is used to simulate several hypothetical cases of high-pH chemical floods, which include cases from a simple alkaline preflush of a micellar/polymer flood to surfactant enhanced alkaline-polymer flooding and the results are analyzed. Finally, a few published alkaline, alkaline-polymer and surfactant-alkaline-polymer corefloods are simulated and compared with the experimental results.« less

Synthesis of Hollow Sphere and 1D Structural Materials by Sol-Gel Process.

PubMed

Li, Fa-Liang; Zhang, Hai-Jun

2017-08-25

The sol-gel method is a simple and facile wet chemical process for fabricating advanced materials with high homogeneity, high purity, and excellent chemical reactivity at a relatively low temperature. By adjusting the processing parameters, the sol-gel technique can be used to prepare hollow sphere and 1D structural materials that exhibit a wide application in the fields of catalyst, drug or gene carriers, photoactive, sensors and Li-ion batteries. This feature article reviewed the development of the preparation of hollow sphere and 1D structural materials using the sol-gel method. The effects of calcination temperature, soaking time, pH value, surfactant, etc., on the preparation of hollow sphere and 1D structural materials were summarized, and their formation mechanisms were generalized. Finally, possible future research directions of the sol-gel technique were outlined.

Synthesis of Hollow Sphere and 1D Structural Materials by Sol-Gel Process

PubMed Central

Li, Fa-Liang; Zhang, Hai-Jun

2017-01-01

The sol-gel method is a simple and facile wet chemical process for fabricating advanced materials with high homogeneity, high purity, and excellent chemical reactivity at a relatively low temperature. By adjusting the processing parameters, the sol-gel technique can be used to prepare hollow sphere and 1D structural materials that exhibit a wide application in the fields of catalyst, drug or gene carriers, photoactive, sensors and Li-ion batteries. This feature article reviewed the development of the preparation of hollow sphere and 1D structural materials using the sol-gel method. The effects of calcination temperature, soaking time, pH value, surfactant, etc., on the preparation of hollow sphere and 1D structural materials were summarized, and their formation mechanisms were generalized. Finally, possible future research directions of the sol-gel technique were outlined. PMID:28841188

Entropy production in mesoscopic stochastic thermodynamics: nonequilibrium kinetic cycles driven by chemical potentials, temperatures, and mechanical forces

NASA Astrophysics Data System (ADS)

Qian, Hong; Kjelstrup, Signe; Kolomeisky, Anatoly B.; Bedeaux, Dick

2016-04-01

Nonequilibrium thermodynamics (NET) investigates processes in systems out of global equilibrium. On a mesoscopic level, it provides a statistical dynamic description of various complex phenomena such as chemical reactions, ion transport, diffusion, thermochemical, thermomechanical and mechanochemical fluxes. In the present review, we introduce a mesoscopic stochastic formulation of NET by analyzing entropy production in several simple examples. The fundamental role of nonequilibrium steady-state cycle kinetics is emphasized. The statistical mechanics of Onsager’s reciprocal relations in this context is elucidated. Chemomechanical, thermomechanical, and enzyme-catalyzed thermochemical energy transduction processes are discussed. It is argued that mesoscopic stochastic NET in phase space provides a rigorous mathematical basis of fundamental concepts needed for understanding complex processes in chemistry, physics and biology. This theory is also relevant for nanoscale technological advances.

Low Temperature Synthesis of CdSe Quantum Dots with Amine Derivative and Their Chemical Kinetics

NASA Astrophysics Data System (ADS)

Seongmi Hwang,; Youngmin Choi,; Sunho Jeong,; Hakyun Jung,; Chang Gyoun Kim,; Teak-Mo Chung,; Beyong-Hwan Ryu,

2010-05-01

The chemical kinetics of growing CdSe nanocrystals was studied in order to investigate the effects of amine capping agents on the size of resulting quantum dots (QDs). CdSe QDs were prepared in phenyl ether, and the amine ligand dependence of QD size was determined. The results show that the size of CdSe nanocrystals can be regulated by controlling reaction rate, with smaller QDs being formed in slower processes. The results of photoluminescence (PL) studies show that the emission wavelengths of the QDs well correlate with particle size. This simple process for forming different-sized QDs, which uses a cheap solvent and various capping agents, has the potential for preparing CdSe nanocrystals more economically.

A simple primary amide for the selective recovery of gold from secondary resources

DOE PAGES

Doidge, Euan D.; Carson, Innis; Tasker, Peter A.; ...

2016-08-24

Waste electrical and electronic equipment (WEEE) such as mobile phones contains a plethora of metals of which gold is by far the most valuable. Herein a simple primary amide is described that achieves the selective separation of gold from a mixture of metals typically found in mobile phones by extraction into toluene from an aqueous HCl solution; unlike current processes, reverse phase transfer is achieved simply using water. Phase transfer occurs by dynamic assembly of protonated and neutral amides with [AuCl 4]– ions through hydrogen bonding in the organic phase, as shown by EXAFS, mass spectrometry measurements, and computational calculations,more » and supported by distribution coefficient analysis. In conclusion, the fundamental chemical understanding gained herein should be integral to the development of metal-recovery processes, in particular through the use of dynamic assembly processes to build complexity from simplicity.« less

Lunar exploration for resource utilization

NASA Technical Reports Server (NTRS)

Duke, Michael B.

1992-01-01

The strategy for developing resources on the Moon depends on the stage of space industrialization. A case is made for first developing the resources needed to provide simple materials required in large quantities for space operations. Propellants, shielding, and structural materials fall into this category. As the enterprise grows, it will be feasible to develop additional sources - those more difficult to obtain or required in smaller quantities. Thus, the first materials processing on the Moon will probably take the abundant lunar regolith, extract from it major mineral or glass species, and do relatively simple chemical processing. We need to conduct a lunar remote sensing mission to determine the global distribution of features, geophysical properties, and composition of the Moon, information which will serve as the basis for detailed models of and engineering decisions about a lunar mine.

Perspectives in metabolic engineering: understanding cellular regulation towards the control of metabolic routes.

PubMed

Zadran, Sohila; Levine, Raphael D

2013-01-01

Metabolic engineering seeks to redirect metabolic pathways through the modification of specific biochemical reactions or the introduction of new ones with the use of recombinant technology. Many of the chemicals synthesized via introduction of product-specific enzymes or the reconstruction of entire metabolic pathways into engineered hosts that can sustain production and can synthesize high yields of the desired product as yields of natural product-derived compounds are frequently low, and chemical processes can be both energy and material expensive; current endeavors have focused on using biologically derived processes as alternatives to chemical synthesis. Such economically favorable manufacturing processes pursue goals related to sustainable development and "green chemistry". Metabolic engineering is a multidisciplinary approach, involving chemical engineering, molecular biology, biochemistry, and analytical chemistry. Recent advances in molecular biology, genome-scale models, theoretical understanding, and kinetic modeling has increased interest in using metabolic engineering to redirect metabolic fluxes for industrial and therapeutic purposes. The use of metabolic engineering has increased the productivity of industrially pertinent small molecules, alcohol-based biofuels, and biodiesel. Here, we highlight developments in the practical and theoretical strategies and technologies available for the metabolic engineering of simple systems and address current limitations.

ChemBrowser: a flexible framework for mining chemical documents.

PubMed

Wu, Xian; Zhang, Li; Chen, Ying; Rhodes, James; Griffin, Thomas D; Boyer, Stephen K; Alba, Alfredo; Cai, Keke

2010-01-01

The ability to extract chemical and biological entities and relations from text documents automatically has great value to biochemical research and development activities. The growing maturity of text mining and artificial intelligence technologies shows promise in enabling such automatic chemical entity extraction capabilities (called "Chemical Annotation" in this paper). Many techniques have been reported in the literature, ranging from dictionary and rule-based techniques to machine learning approaches. In practice, we found that no single technique works well in all cases. A combinatorial approach that allows one to quickly compose different annotation techniques together for a given situation is most effective. In this paper, we describe the key challenges we face in real-world chemical annotation scenarios. We then present a solution called ChemBrowser which has a flexible framework for chemical annotation. ChemBrowser includes a suite of customizable processing units that might be utilized in a chemical annotator, a high-level language that describes the composition of various processing units that would form a chemical annotator, and an execution engine that translates the composition language to an actual annotator that can generate annotation results for a given set of documents. We demonstrate the impact of this approach by tailoring an annotator for extracting chemical names from patent documents and show how this annotator can be easily modified with simple configuration alone.

Natural selection in chemical evolution.

PubMed

Fernando, Chrisantha; Rowe, Jonathan

2007-07-07

We propose that chemical evolution can take place by natural selection if a geophysical process is capable of heterotrophic formation of liposomes that grow at some base rate, divide by external agitation, and are subject to stochastic chemical avalanches, in the absence of nucleotides or any monomers capable of modular heredity. We model this process using a simple hill-climbing algorithm, and an artificial chemistry that is unique in exhibiting conservation of mass and energy in an open thermodynamic system. Selection at the liposome level results in the stabilization of rarely occurring molecular autocatalysts that either catalyse or are consumed in reactions that confer liposome level fitness; typically they contribute in parallel to an increasingly conserved intermediary metabolism. Loss of competing autocatalysts can sometimes be adaptive. Steady-state energy flux by the individual increases due to the energetic demands of growth, but also of memory, i.e. maintaining variations in the chemical network. Self-organizing principles such as those proposed by Kauffman, Fontana, and Morowitz have been hypothesized as an ordering principle in chemical evolution, rather than chemical evolution by natural selection. We reject those notions as either logically flawed or at best insufficient in the absence of natural selection. Finally, a finite population model without elitism shows the practical evolutionary constraints for achieving chemical evolution by natural selection in the lab.

Chemical Microsensor Development for Aerospace Applications

NASA Technical Reports Server (NTRS)

Xu, Jennifer C.; Hunter, Gary W.; Lukco, Dorothy; Chen, Liangyu; Biaggi-Labiosa, Azlin M.

2013-01-01

Numerous aerospace applications, including low-false-alarm fire detection, environmental monitoring, fuel leak detection, and engine emission monitoring, would benefit greatly from robust and low weight, cost, and power consumption chemical microsensors. NASA Glenn Research Center has been working to develop a variety of chemical microsensors with these attributes to address the aforementioned applications. Chemical microsensors using different material platforms and sensing mechanisms have been produced. Approaches using electrochemical cells, resistors, and Schottky diode platforms, combined with nano-based materials, high temperature solid electrolytes, and room temperature polymer electrolytes have been realized to enable different types of microsensors. By understanding the application needs and chemical gas species to be detected, sensing materials and unique microfabrication processes were selected and applied. The chemical microsensors were designed utilizing simple structures and the least number of microfabrication processes possible, while maintaining high yield and low cost. In this presentation, an overview of carbon dioxide (CO2), oxygen (O2), and hydrogen/hydrocarbons (H2/CxHy) microsensors and their fabrication, testing results, and applications will be described. Particular challenges associated with improving the H2/CxHy microsensor contact wire-bonding pad will be discussed. These microsensors represent our research approach and serve as major tools as we expand our sensor development toolbox. Our ultimate goal is to develop robust chemical microsensor systems for aerospace and commercial applications.

Introducing Stochastic Simulation of Chemical Reactions Using the Gillespie Algorithm and MATLAB: Revisited and Augmented

ERIC Educational Resources Information Center

Argoti, A.; Fan, L. T.; Cruz, J.; Chou, S. T.

2008-01-01

The stochastic simulation of chemical reactions, specifically, a simple reversible chemical reaction obeying the first-order, i.e., linear, rate law, has been presented by Martinez-Urreaga and his collaborators in this journal. The current contribution is intended to complement and augment their work in two aspects. First, the simple reversible…

High-purity nano particles ZnS production by a simple coupling reaction process of biological reduction and chemical precipitation mediated with EDTA.

PubMed

Xin, Baoping; Huang, Qun; Chen, Shi; Tang, Xuemei

2008-01-01

High-purity nanoparticles ZnS has been successfully synthesized using a simple coupling reaction process of biological reduction and chemical precipitation mediated with EDTA referred to as the CRBRCP-EDTA process. This research investigated the optimum conditions of the transformation of SO(4) (2-) into S(2-) by SRB, and the production of ZnS in the CRBRCP-EDTA process. The results showed that the molar ratio of Zn(2+) to EDTA = 1:1 was crucial for SRB growth and ZnS synthesis. At the ratio(n) (Zn2+)/n) (EDTA) = 1:1, lower Zn(2+) concentration enhanced both the growth of SRB and the reduction of SO(4) (2-), leading to higher ZnS production. Although increase in Na(2)SO(4) concentration resulted in decrease in both SRB growth and SO(4) (2-) reduction, it improved the S(2-) and ZnS production. Under the optimum conditions (0.05 mol L(-1) ZnCl(2), 0.05 mol L(-1) EDTA, and 0.1 mol L(-1) Na(2)SO(4)), the synthesized ZnS was characterized by X-ray diffraction (XRD), X-ray energy dispersive spectroscopy (EDS), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). The analysis showed that the obtained ZnS were high-purity and well-distributed solid spheres with diameters of about 15 nm for primary particles and around 400 nm for secondary particles. When polyacrylamide (PAM) was incorporated in the CRBRCP-EDTA process, the secondary particle's diameters were reduced to less than 100 nm. The photoluminescence (PL) spectra of produced ZnS centered at 396 nm, the spectrum with PAM added showed the gradual increase in absorption and stronger intensity in PL property. The present simple, low-cost, and safe method may be extended to prepare other metal-sulfide nanocomposites.

A Simple Method for High Throughput Chemical Screening in Caenorhabditis Elegans

PubMed Central

Lucanic, Mark; Garrett, Theo; Gill, Matthew S.; Lithgow, Gordon J.

2018-01-01

Caenorhabditis elegans is a useful organism for testing chemical effects on physiology. Whole organism small molecule screens offer significant advantages for identifying biologically active chemical structures that can modify complex phenotypes such as lifespan. Described here is a simple protocol for producing hundreds of 96-well culture plates with fairly consistent numbers of C. elegans in each well. Next, we specified how to use these cultures to screen thousands of chemicals for effects on the lifespan of the nematode C. elegans. This protocol makes use of temperature sensitive sterile strains, agar plate conditions, and simple animal handling to facilitate the rapid and high throughput production of synchronized animal cultures for screening. PMID:29630057

Chemical reacting flows

NASA Technical Reports Server (NTRS)

Mularz, Edward J.; Sockol, Peter M.

1987-01-01

Future aerospace propulsion concepts involve the combination of liquid or gaseous fuels in a highly turbulent internal air stream. Accurate predictive computer codes which can simulate the fluid mechanics, chemistry, and turbulence combustion interaction of these chemical reacting flows will be a new tool that is needed in the design of these future propulsion concepts. Experimental and code development research is being performed at Lewis to better understand chemical reacting flows with the long term goal of establishing these reliable computer codes. The approach to understanding chemical reacting flows is to look at separate simple parts of this complex phenomena as well as to study the full turbulent reacting flow process. As a result research on the fluid mechanics associated with chemical reacting flows was initiated. The chemistry of fuel-air combustion is also being studied. Finally, the phenomena of turbulence-combustion interaction is being investigated. This presentation will highlight research, both experimental and analytical, in each of these three major areas.

Chemical reacting flows

NASA Technical Reports Server (NTRS)

Mularz, Edward J.; Sockol, Peter M.

1990-01-01

Future aerospace propulsion concepts involve the combustion of liquid or gaseous fuels in a highly turbulent internal airstream. Accurate predictive computer codes which can simulate the fluid mechanics, chemistry, and turbulence-combustion interaction of these chemical reacting flows will be a new tool that is needed in the design of these future propulsion concepts. Experimental and code development research is being performed at LeRC to better understand chemical reacting flows with the long-term goal of establishing these reliable computer codes. Our approach to understand chemical reacting flows is to look at separate, more simple parts of this complex phenomenon as well as to study the full turbulent reacting flow process. As a result, we are engaged in research on the fluid mechanics associated with chemical reacting flows. We are also studying the chemistry of fuel-air combustion. Finally, we are investigating the phenomenon of turbulence-combustion interaction. Research, both experimental and analytical, is highlighted in each of these three major areas.

Renewable chemical feedstocks from integrated liquefaction processing of lingocellulosic materials using microwave energy

Treesearch

Junming Xu; Jianchun Jiang; Chung-Yun Hse; Todd F. Shupe

2012-01-01

The objective of this investigation was to find a simple method for the production of phenolic rich products and sugar derivatives (biopolyols) via separation of liquefied lingocellulosic materials. Liquefaction of lignocellulosic materials was conducted in methanol at 180 °C for 15 min with the conversion of raw materials at about 75%. After liquefaction, the...

Direct, enantioselective α-alkylation of aldehydes using simple olefins.

PubMed

Capacci, Andrew G; Malinowski, Justin T; McAlpine, Neil J; Kuhne, Jerome; MacMillan, David W C

2017-11-01

Although the α-alkylation of ketones has already been established, the analogous reaction using aldehyde substrates has proven surprisingly elusive. Despite the structural similarities between the two classes of compounds, the sensitivity and unique reactivity of the aldehyde functionality has typically required activated substrates or specialized additives. Here, we show that the synergistic merger of three catalytic processes-photoredox, enamine and hydrogen-atom transfer (HAT) catalysis-enables an enantioselective α-aldehyde alkylation reaction that employs simple olefins as coupling partners. Chiral imidazolidinones or prolinols, in combination with a thiophenol, iridium photoredox catalyst and visible light, have been successfully used in a triple catalytic process that is temporally sequenced to deliver a new hydrogen and electron-borrowing mechanism. This multicatalytic process enables both intra- and intermolecular aldehyde α-methylene coupling with olefins to construct both cyclic and acyclic products, respectively. With respect to atom and step-economy ideals, this stereoselective process allows the production of high-value molecules from feedstock chemicals in one step while consuming only photons.

Mixed mechanisms of multi-site phosphorylation

PubMed Central

Suwanmajo, Thapanar; Krishnan, J.

2015-01-01

Multi-site phosphorylation is ubiquitous in cell biology and has been widely studied experimentally and theoretically. The underlying chemical modification mechanisms are typically assumed to be distributive or processive. In this paper, we study the behaviour of mixed mechanisms that can arise either because phosphorylation and dephosphorylation involve different mechanisms or because phosphorylation and/or dephosphorylation can occur through a combination of mechanisms. We examine a hierarchy of models to assess chemical information processing through different mixed mechanisms, using simulations, bifurcation analysis and analytical work. We demonstrate how mixed mechanisms can show important and unintuitive differences from pure distributive and processive mechanisms, in some cases resulting in monostable behaviour with simple dose–response behaviour, while in other cases generating new behaviour-like oscillations. Our results also suggest patterns of information processing that are relevant as the number of modification sites increases. Overall, our work creates a framework to examine information processing arising from complexities of multi-site modification mechanisms and their impact on signal transduction. PMID:25972433

Manufacturing a Porous Structure According to the Process Parameters of Functional 3D Porous Polymer Printing Technology Based on a Chemical Blowing Agent

NASA Astrophysics Data System (ADS)

Yoo, C. J.; Shin, B. S.; Kang, B. S.; Yun, D. H.; You, D. B.; Hong, S. M.

2017-09-01

In this paper, we propose a new porous polymer printing technology based on CBA(chemical blowing agent), and describe the optimization process according to the process parameters. By mixing polypropylene (PP) and CBA, a hybrid CBA filament was manufactured; the diameter of the filament ranged between 1.60 mm and 1.75 mm. A porous polymer structure was manufactured based on the traditional fused deposition modelling (FDM) method. The process parameters of the three-dimensional (3D) porous polymer printing (PPP) process included nozzle temperature, printing speed, and CBA density. Porosity increase with an increase in nozzle temperature and CBA density. On the contrary, porosity increase with a decrease in the printing speed. For porous structures, it has excellent mechanical properties. We manufactured a simple shape in 3D using 3D PPP technology. In the future, we will study the excellent mechanical properties of 3D PPP technology and apply them to various safety fields.

Salvaging and Conserving Water Damaged Photographic Materials

NASA Astrophysics Data System (ADS)

Suzuki, Ryuji

Degradation of water damaged photographic materials is discussed; the most vulnerable elements are gelatin layers and silver image. A simple and inexpensive chemical treatment is proposed, consisting of a bath containing a gelatin-protecting biocide and a silver image protecting agent. These ingredients were selected among those used in manufacturing of silver halide photographic emulsions or processing chemicals. Experiments confirmed that this treatment significantly reduced oxidative attacks to silver image and bacterial degradation of gelatin layers. The treated material was also stable under intense light fading test. Method of hardening gelatin to suppress swelling is also discussed.

Redox Catalysis Facilitates Lignin Depolymerization

PubMed Central

2017-01-01

Lignin is a recalcitrant and underexploited natural feedstock for aromatic commodity chemicals, and its degradation generally requires the use of high temperatures and harsh reaction conditions. Herein we present an ambient temperature one-pot process for the controlled oxidation and depolymerization of this potent resource. Harnessing the potential of electrocatalytic oxidation in conjugation with our photocatalytic cleavage methodology, we have developed an operationally simple procedure for selective fragmentation of β-O-4 bonds with excellent mass recovery, which provides a unique opportunity to expand the existing lignin usage from energy source to commodity chemicals and synthetic building block source. PMID:28691074

DNA-Compatible Nitro Reduction and Synthesis of Benzimidazoles.

PubMed

Du, Huang-Chi; Huang, Hongbing

2017-10-18

DNA-encoded chemical libraries have emerged as a cost-effective alternative to high-throughput screening (HTS) for hit identification in drug discovery. A key factor for productive DNA-encoded libraries is the chemical diversity of the small molecule moiety attached to an encoding DNA oligomer. The library structure diversity is often limited to DNA-compatible chemical reactions in aqueous media. Herein, we describe a facile process for reducing aryl nitro groups to aryl amines. The new protocol offers simple operation and circumvents the pyrophoric potential of the conventional method (Raney nickel). The reaction is performed in aqueous solution and does not compromise DNA structural integrity. The utility of this method is demonstrated by the versatile synthesis of benzimidazoles on DNA.

Preformulation considerations for controlled release dosage forms. Part I. Selecting candidates.

PubMed

Chrzanowski, Frank

2008-01-01

The physical-chemical properties of interest for controlled release (CR) dosage form development presented are based on the author's experience. Part I addresses selection of the final form based on a logical progression of physical-chemical properties evaluation of candidate forms and elimination of forms with undesirable properties from further evaluation in order to simplify final form selection. Several candidate forms which could include salt, free base or acid, polymorphic and amorphic forms of a new chemical entity (NCE) or existing drug substance (DS) are prepared and evaluated for critical properties in a scheme relevant to manufacturing processes, predictive of problems, requiring small amounts of test materials and simple analytical tools. A stability indicating assay is not needed to initiate the evaluation. This process is applicable to CR and immediate release (IR) dosage form development. The critical properties evaluated are melting, crystallinity, solubilities in water, 0.1 N HCl, and SIF, hygrodymamics, i.e., moisture sorption and loss at extremes of RH, and LOD at typical wet granulation drying conditions, and processability, i.e., corrosivity, and filming and/or sticking upon compression.

Hydrothermal pretreatment of several lignocellulosic mixtures containing wheat straw and two hardwood residues available in Southern Europe.

PubMed

Silva-Fernandes, Talita; Duarte, Luís Chorão; Carvalheiro, Florbela; Loureiro-Dias, Maria Conceição; Fonseca, César; Gírio, Francisco

2015-05-01

This work studied the processing of biomass mixtures containing three lignocellulosic materials largely available in Southern Europe, eucalyptus residues (ER), wheat straw (WS) and olive tree pruning (OP). The mixtures were chemically characterized, and their pretreatment, by autohydrolysis, evaluated within a severity factor (logR0) ranging from 1.73 up to 4.24. A simple modeling strategy was used to optimize the autohydrolysis conditions based on the chemical characterization of the liquid fraction. The solid fraction was characterized to quantify the polysaccharide and lignin content. The pretreatment conditions for maximal saccharides recovery in the liquid fraction were at a severity range (logR0) of 3.65-3.72, independently of the mixture tested, which suggests that autohydrolysis can effectively process mixtures of lignocellulosic materials for further biochemical conversion processes. Copyright © 2015 Elsevier Ltd. All rights reserved.

Precise Design of Phosphorescent Molecular Butterflies with Tunable Photoinduced Structural Change and Dual Emission.

PubMed

Zhou, Chenkun; Tian, Yu; Yuan, Zhao; Han, Mingu; Wang, Jamie; Zhu, Lei; Tameh, Maliheh Shaban; Huang, Chen; Ma, Biwu

2015-08-10

Photoinduced structural change (PSC) is a fundamental excited-state dynamic process in chemical and biological systems. However, precise control of PSC processes is very challenging, owing to the lack of guidelines for designing excited-state potential energy surfaces (PESs). A series of rationally designed butterfly-like phosphorescent binuclear platinum complexes that undergo controlled PSC by Pt-Pt distance shortening and exhibit tunable dual (greenish-blue and red) emission are herein reported. Based on the Bell-Evans-Polanyi principle, it is demonstrated how the energy barrier of the PSC, which can be described as a chemical-reaction-like process between the two energy minima on the first triplet excited-state PES, can be controlled by synthetic means. These results reveal a simple method to engineer the dual emission of molecular systems by manipulating PES to control PSC. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Vertically aligned carbon nanotube emitter on metal foil for medical X-ray imaging.

PubMed

Ryu, Je Hwang; Kim, Wan Sun; Lee, Seung Ho; Eom, Young Ju; Park, Hun Kuk; Park, Kyu Chang

2013-10-01

A simple method is proposed for growing vertically aligned carbon nanotubes on metal foil using the triode direct current plasma-enhanced chemical vapor deposition (PECVD). The carbon nanotube (CNT) electron emitter was fabricated using fewer process steps with an acid treated metal substrate. The CNT emitter was used for X-ray generation, and the X-ray image of mouse's joint was obtained with an anode current of 0.5 mA at an anode bias of 60 kV. The simple fabrication of a well-aligned CNT with a protection layer on metal foil, and its X-ray application, were studied.

Unconventional processes for food regeneration in space - An overview

NASA Technical Reports Server (NTRS)

Stokes, B. O.; Petersen, G. R.; Schubert, W. W.; Mueller, W. A.

1981-01-01

Alternatives to conventional plant agriculture for the regeneration of food during space missions of extended duration are examined. The options considered, which may be used in combination with conventional agriculture, include the production of food from plant wastes, the chemical synthesis of food from carbon dioxide and other simple molecules or the substitution of edible chemicals, and the use of microrganisms for food and oxygen regeneration, with suitable processing. A comparison of solar energy conversion efficiencies is presented for nonphotosynthetic bacteria grown on hydrogen and algal systems photosynthetically, and it is shown that hydrogen bacteria are potentially more attractive than photosynthetic algae using artificial light. Weight-volume requirements for the conventional plant, algae and hydrogen bacteria systems are also compared to demonstrate the advantages of microbial systems.

[Using Molecular Simulations to Understand Complex Nanoscale Dynamic Phenomena in Polymer Solutions

NASA Technical Reports Server (NTRS)

Smith, Grant

2004-01-01

The first half of the project concentrated on molecular simulation studies of the translocation of model molecules for single-stranded DNA through a nanosized pore. This has resulted in the publication, Translocation of a polymer chain across a nanopore: A Brownian dynamics simulation study, by Pu Tian and Grant D. Smith, JOURNAL OF CHEMICAL PHYSICS VOLUME 119, NUMBER 21 1 DECEMBER 2003, which is attached to this report. In this work we carried out Brownian dynamics simulation studies of the translocation of single polymer chains across a nanosized pore under the driving of an applied field (chemical potential gradient) designed to mimic an electrostatic field. The translocation process can be either dominated by the entropic barrier resulted from restricted motion of flexible polymer chains or by applied forces (or chemical gradient). We focused on the latter case in our studies. Calculation of radius of gyration of the translocating chain at the two opposite sides of the wall shows that the polymer chains are not in equilibrium during the translocation process. Despite this fact, our results show that the one-dimensional diffusion and the nucleation model provide an excellent description of the dependence of average translocation time on the chemical potential gradients, the polymer chain length and the solvent viscosity. In good agreement with experimental results and theoretical predictions, the translocation time distribution of our simple model shows strong non-Gaussian characteristics. It is observed that even for this simple tube-like pore geometry, more than one peak of translocation time distribution can be generated for proper pore diameter and applied field strengths. Both repulsive Weeks-Chandler-Anderson and attractive Lennard-Jones polymer-nanopore interaction were studied. Attraction facilitates the translocation process by shortening the total translocation time and dramatically improve the capturing of polymer chain. The width of the translocation time distribution was found to decrease with increasing temperature, increasing field strength, and decreasing pore diameter.

Molecular simulation of simple fluids and polymers in nanoconfinement

NASA Astrophysics Data System (ADS)

Rasmussen, Christopher John

Prediction of phase behavior and transport properties of simple fluids and polymers confined to nanoscale pores is important to a wide range of chemical and biochemical engineering processes. A practical approach to investigate nanoscale systems is molecular simulation, specifically Monte Carlo (MC) methods. One of the most challenging problems is the need to calculate chemical potentials in simulated phases. Through the seminal work of Widom, practitioners have a powerful method for calculating chemical potentials. Yet, this method fails for dense and inhomogeneous systems, as well as for complex molecules such as polymers. In this dissertation, the gauge cell MC method, which had previously been successfully applied to confined simple fluids, was employed and extended to investigate nanoscale fluids in several key areas. Firstly, the process of cavitation (the formation and growth of bubbles) during desorption of fluids from nanopores was investigated. The dependence of cavitation pressure on pore size was determined with gauge cell MC calculations of the nucleation barriers correlated with experimental data. Additional computational studies elucidated the role of surface defects and pore connectivity in the formation of cavitation bubbles. Secondly, the gauge cell method was extended to polymers. The method was verified against the literature results and found significantly more efficient. It was used to examine adsorption of polymers in nanopores. These results were applied to model the dynamics of translocation, the act of a polymer threading through a small opening, which is implicated in drug packaging and delivery, and DNA sequencing. Translocation dynamics was studied as diffusion along the free energy landscape. Thirdly, we show how computer simulation of polymer adsorption could shed light on the specifics of polymer chromatography, which is a key tool for the analysis and purification of polymers. The quality of separation depends on the physico-chemical mechanisms of polymer/pore interaction. We considered liquid chromatography at critical conditions, and calculated the dependence of the partition coefficient on chain length. Finally, solvent-gradient chromatography was modeled using a statistical model of polymer adsorption. A model for predicting separation of complex polymers (with functional groups or copolymers) was developed for practical use in chromatographic separations.

Detection and Monitoring of Toxic Chemical at Ultra Trace Level by Utilizing Doped Nanomaterial

PubMed Central

Khan, Sher Bahadar; Rahman, Mohammed M.; Akhtar, Kalsoom; Asiri, Abdullah M.

2014-01-01

Composite nanoparticles were synthesized by eco-friendly hydrothermal process and characterized by different spectroscopic techniques. All the spectroscopic techniques suggested the synthesis of well crystalline optically active composite nanoparticles with average diameter of ∼30 nm. The synthesized nanoparticles were applied for the development of chemical sensor which was fabricated by coating the nanoparticles on silver electrode for the recognition of phthalimide using simple I–V technique. The developed sensor exhibited high sensitivity (1.7361 µA.mM−1.cm−2), lower detection limit (8.0 µM) and long range of detection (77.0 µM to 0.38 M). Further the resistances of composite nanoparticles based sensor was found to be 2.7 MΩ which change from 2.7 to 1.7 with change in phthalimide concentration. The major advantages of the designed sensor over existing sensors are its simple technique, low cost, lower detection limit, high sensitivity and long range of detection. It can detect phthalimide even at trace level and sense over wide range of concentrations. Therefore the composite nanoparticals would be a better choice for the fabrication of phthalimide chemical sensor and would be time and cost substituted implement for environmental safety. PMID:25329666

Dynamics of prebiotic RNA reproduction illuminated by chemical game theory

PubMed Central

Yeates, Jessica A. M.; Hilbe, Christian; Zwick, Martin; Nowak, Martin A.; Lehman, Niles

2016-01-01

Many origins-of-life scenarios depict a situation in which there are common and potentially scarce resources needed by molecules that compete for survival and reproduction. The dynamics of RNA assembly in a complex mixture of sequences is a frequency-dependent process and mimics such scenarios. By synthesizing Azoarcus ribozyme genotypes that differ in their single-nucleotide interactions with other genotypes, we can create molecules that interact among each other to reproduce. Pairwise interplays between RNAs involve both cooperation and selfishness, quantifiable in a 2 × 2 payoff matrix. We show that a simple model of differential equations based on chemical kinetics accurately predicts the outcomes of these molecular competitions using simple rate inputs into these matrices. In some cases, we find that mixtures of different RNAs reproduce much better than each RNA type alone, reflecting a molecular form of reciprocal cooperation. We also demonstrate that three RNA genotypes can stably coexist in a rock–paper–scissors analog. Our experiments suggest a new type of evolutionary game dynamics, called prelife game dynamics or chemical game dynamics. These operate without template-directed replication, illustrating how small networks of RNAs could have developed and evolved in an RNA world. PMID:27091972

Dynamics of prebiotic RNA reproduction illuminated by chemical game theory.

PubMed

Yeates, Jessica A M; Hilbe, Christian; Zwick, Martin; Nowak, Martin A; Lehman, Niles

2016-05-03

Many origins-of-life scenarios depict a situation in which there are common and potentially scarce resources needed by molecules that compete for survival and reproduction. The dynamics of RNA assembly in a complex mixture of sequences is a frequency-dependent process and mimics such scenarios. By synthesizing Azoarcus ribozyme genotypes that differ in their single-nucleotide interactions with other genotypes, we can create molecules that interact among each other to reproduce. Pairwise interplays between RNAs involve both cooperation and selfishness, quantifiable in a 2 × 2 payoff matrix. We show that a simple model of differential equations based on chemical kinetics accurately predicts the outcomes of these molecular competitions using simple rate inputs into these matrices. In some cases, we find that mixtures of different RNAs reproduce much better than each RNA type alone, reflecting a molecular form of reciprocal cooperation. We also demonstrate that three RNA genotypes can stably coexist in a rock-paper-scissors analog. Our experiments suggest a new type of evolutionary game dynamics, called prelife game dynamics or chemical game dynamics. These operate without template-directed replication, illustrating how small networks of RNAs could have developed and evolved in an RNA world.

Successful photoresist removal: incorporating chemistry, conditions, and equipment

NASA Astrophysics Data System (ADS)

Moore, John C.

2002-07-01

The material make-up of photoresists span a wide polarity range and chemistry. Resists contain reactive components which are photochemically triggered to convert and condense to forms that result in a solubility change. When designing a cleaning process, a knowledge of the resist chemistry is fundamental. A DNQ/novolak system may follow a simple dissolution model under normal conditions. However, when the same resist is sent through a dry etch process, crosslinking and metallic impregnation occurs to form a residue that is insoluble by simple dissolution. The same applies for negative-tone resists, where bonds must be broken and a high chemical interaction is needed to facilitate solvent penetration. Negative resists of different chemistry, such as the benzoin/acrylic, trazine/novolak, and azide/isoprene, must be addressed separately for specific polarity and reactant requirements. When dissolving and removing these crosslinked systems, benefits in formulated chemistries such as GenSolveTM and GenCleanTM are immediately observed. Once the chemistry is identified, conditions can be optimized with process design using temperature, agitation, and rinsing to achieve a robust process with a wide process latitude.

Rapid Preliminary Design of Interplanetary Trajectories Using the Evolutionary Mission Trajectory Generator

NASA Technical Reports Server (NTRS)

Englander, Jacob

2016-01-01

This set of tutorial slides is an introduction to the Evolutionary Mission Trajectory Generator (EMTG), NASA Goddard Space Flight Center's autonomous tool for preliminary design of interplanetary missions. This slide set covers the basics of creating and post-processing simple interplanetary missions in EMTG using both high-thrust chemical and low-thrust electric propulsion along with a variety of operational constraints.

Lithography-free fabrication of silicon nanowire and nanohole arrays by metal-assisted chemical etching

PubMed Central

2013-01-01

We demonstrated a novel, simple, and low-cost method to fabricate silicon nanowire (SiNW) arrays and silicon nanohole (SiNH) arrays based on thin silver (Ag) film dewetting process combined with metal-assisted chemical etching. Ag mesh with holes and semispherical Ag nanoparticles can be prepared by simple thermal annealing of Ag thin film on a silicon substrate. Both the diameter and the distribution of mesh holes as well as the nanoparticles can be manipulated by the film thickness and the annealing temperature. The silicon underneath Ag coverage was etched off with the catalysis of metal in an aqueous solution containing HF and an oxidant, which form silicon nanostructures (either SiNW or SiNH arrays). The morphologies of the corresponding etched SiNW and SiNH arrays matched well with that of Ag holes and nanoparticles. This novel method allows lithography-free fabrication of the SiNW and SiNH arrays with control of the size and distribution. PMID:23557325

Hormonal profiling: Development of a simple method to extract and quantify phytohormones in complex matrices by UHPLC-MS/MS.

PubMed

Delatorre, Carolina; Rodríguez, Ana; Rodríguez, Lucía; Majada, Juan P; Ordás, Ricardo J; Feito, Isabel

2017-01-01

Plant growth regulators (PGRs) are very different chemical compounds that play essential roles in plant development and the regulation of physiological processes. They exert their functions by a mechanism called cross-talk (involving either synergistic or antagonistic actions) thus; it is for great interest to study as many PGRs as possible to obtain accurate information about plant status. Much effort has been applied to develop methods capable of analyze large numbers of these compounds but frequently excluding some chemical families or important PGRs within each family. In addition, most of the methods are specially designed for matrices easy to work with. Therefore, we wanted to develop a method which achieved the requirements lacking in the literature and also being fast and reliable. Here we present a simple, fast and robust method for the extraction and quantification of 20 different PGRs using UHPLC-MS/MS optimized in complex matrices. Copyright © 2016 Elsevier B.V. All rights reserved.

Exceptional Morphology-Preserving Evolution of Formamidinium Lead Triiodide Perovskite Thin Films via Organic-Cation Displacement

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

Zhou, Yuanyuan; Yang, Mengjin; Pang, Shuping

Here we demonstrate a radically different chemical route for the creation of HC(NH2)2PbI3 (FAPbI3) perovskite thin films. This approach entails a simple exposure of as-synthesized CH3NH3PbI3 (MAPbI3) perovskite thin films to HC(=NH)NH2 (formamidine or FA) gas at 150 degrees C, which leads to rapid displacement of the MA+ cations by FA+ cations in the perovskite structure. The resultant FAPbI3 perovskite thin films preserve the microstructural morphology of the original MAPbI3 thin films exceptionally well. Importantly, the myriad processing innovations that have led to the creation of high-quality MAPbI3 perovskite thin films are directly adaptable to FAPbI3 through this simple, rapidmore » chemical-conversion route. Accordingly, we show that efficiencies of perovskite solar cells fabricated with FAPbI3 thin films created using this route can reach -18%.« less

Novel Fabry-Perot fiber optic sensor with multiple applications

NASA Astrophysics Data System (ADS)

Chen, Xiaopei; Shen, Fabin; Wang, Anbo; Wang, Zhuang; Zhang, Yan

2004-12-01

A novel Intrinsic Fabry-Perot fiber-optic sensor is presented in this paper. The sensors were made through two simple steps: wet chemical etch and fusion splice. Micro air-gaps were generated inside the fibers and functioned as reflective mirrors. This procedure not only provides a simple and cost effective technology for fabricating intrinsic Fabry-Perot Interferometric (IFPI) fiber sensors, but also provides two possible IFPI structures. Both of the fiber cavity between the air-gaps or the air-gap and cleaved fiber end can be used as sensing elements. With these two structures, this sensor can be used to measure the temperature, strain, pressure, refractive index of chemicals and the thin film thickness by itself. Multi-point measurements can also be achieved by multiplexing. Furthermore, it also can be multiplexed with other sensors such as Long Period Gratings (LPG) to provide compensations for other perturbation sensing. Theoretical and experimental studies of two sensor structures are described. Experimental results show that high resolution and high sensitivity can be obtained with appropriate signal processing.

An open framework for automated chemical hazard assessment based on GreenScreen for Safer Chemicals: A proof of concept.

PubMed

Wehage, Kristopher; Chenhansa, Panan; Schoenung, Julie M

2017-01-01

GreenScreen® for Safer Chemicals is a framework for comparative chemical hazard assessment. It is the first transparent, open and publicly accessible framework of its kind, allowing manufacturers and governmental agencies to make informed decisions about the chemicals and substances used in consumer products and buildings. In the GreenScreen® benchmarking process, chemical hazards are assessed and classified based on 18 hazard endpoints from up to 30 different sources. The result is a simple numerical benchmark score and accompanying assessment report that allows users to flag chemicals of concern and identify safer alternatives. Although the screening process is straightforward, aggregating and sorting hazard data is tedious, time-consuming, and prone to human error. In light of these challenges, the present work demonstrates the usage of automation to cull chemical hazard data from publicly available internet resources, assign metadata, and perform a GreenScreen® hazard assessment using the GreenScreen® "List Translator." The automated technique, written as a module in the Python programming language, generates GreenScreen® List Translation data for over 3000 chemicals in approximately 30 s. Discussion of the potential benefits and limitations of automated techniques is provided. By embedding the library into a web-based graphical user interface, the extensibility of the library is demonstrated. The accompanying source code is made available to the hazard assessment community. Integr Environ Assess Manag 2017;13:167-176. © 2016 SETAC. © 2016 SETAC.

Delay chemical master equation: direct and closed-form solutions

PubMed Central

Leier, Andre; Marquez-Lago, Tatiana T.

2015-01-01

The stochastic simulation algorithm (SSA) describes the time evolution of a discrete nonlinear Markov process. This stochastic process has a probability density function that is the solution of a differential equation, commonly known as the chemical master equation (CME) or forward-Kolmogorov equation. In the same way that the CME gives rise to the SSA, and trajectories of the latter are exact with respect to the former, trajectories obtained from a delay SSA are exact representations of the underlying delay CME (DCME). However, in contrast to the CME, no closed-form solutions have so far been derived for any kind of DCME. In this paper, we describe for the first time direct and closed solutions of the DCME for simple reaction schemes, such as a single-delayed unimolecular reaction as well as chemical reactions for transcription and translation with delayed mRNA maturation. We also discuss the conditions that have to be met such that such solutions can be derived. PMID:26345616

Delay chemical master equation: direct and closed-form solutions.

PubMed

Leier, Andre; Marquez-Lago, Tatiana T

2015-07-08

The stochastic simulation algorithm (SSA) describes the time evolution of a discrete nonlinear Markov process. This stochastic process has a probability density function that is the solution of a differential equation, commonly known as the chemical master equation (CME) or forward-Kolmogorov equation. In the same way that the CME gives rise to the SSA, and trajectories of the latter are exact with respect to the former, trajectories obtained from a delay SSA are exact representations of the underlying delay CME (DCME). However, in contrast to the CME, no closed-form solutions have so far been derived for any kind of DCME. In this paper, we describe for the first time direct and closed solutions of the DCME for simple reaction schemes, such as a single-delayed unimolecular reaction as well as chemical reactions for transcription and translation with delayed mRNA maturation. We also discuss the conditions that have to be met such that such solutions can be derived.

Physical and chemical characterization of petroleum products by GC-MS.

PubMed

Mendez, A; Meneghini, R; Lubkowitz, J

2007-01-01

There is a need for reliable and fast means of monitoring refining, conversion, and upgrading processes aiming to increase the yield of light distillates, and thus, reducing the oil barrel bottoms. By simultaneously utilizing the FID and mass selective detectors while splitting the column effluent in a controlled way, it is possible to obtain identical gas chromatograms and total ion chromatograms from a single run. This means that besides the intensity vs. time graphs, the intensity vs. mass and boiling point can also be obtained. As a result, physical and chemical characterization can be performed in a simple and rapid manner. Experimental results on middle, heavy distillates, and crude oil fractions show clearly the effect of upgrading processes on the chemical composition and yields of diesel, jet fuels, and high vacuum gasoil fractions. The methodology is fully compliant with ASTM D-2887, D-7213, D-6352, and D7169 for simulated distillation and the previously mentioned mass spectrometry standards. The group type analysis correlated satisfactorily with high-performance liquid chromatography data.

Direct Preparation of Few Layer Graphene Epoxy Nanocomposites from Untreated Flake Graphite.

PubMed

Throckmorton, James; Palmese, Giuseppe

2015-07-15

The natural availability of flake graphite and the exceptional properties of graphene and graphene-polymer composites create a demand for simple, cost-effective, and scalable methods for top-down graphite exfoliation. This work presents a novel method of few layer graphite nanocomposite preparation directly from untreated flake graphite using a room temperature ionic liquid and laminar shear processing regimen. The ionic liquid serves both as a solvent and initiator for epoxy polymerization and is incorporated chemically into the matrix. This nanocomposite shows low electrical percolation (0.005 v/v) and low thickness (1-3 layers) graphite/graphene flakes by TEM. Additionally, the effect of processing conditions by rheometry and comparison with solvent-free conditions reveal the interactions between processing and matrix properties and provide insight into the theory of the chemical and physical exfoliation of graphite crystals and the resulting polymer matrix dispersion. An interaction model that correlates the interlayer shear physics of graphite flakes and processing parameters is proposed and tested.

Large eddy simulation of reactive pollutants in a deep urban street canyon: Coupling dynamics with O3-NOx-VOC chemistry.

PubMed

Zhong, Jian; Cai, Xiao-Ming; Bloss, William James

2017-05-01

A large eddy simulation (LES) model coupled with O 3 -NO x -VOC chemistry is implemented to simulate the coupled effects of emissions, mixing and chemical pre-processing within an idealised deep (aspect ratio = 2) urban street canyon under a weak wind condition. Reactive pollutants exhibit significant spatial variations in the presence of two vertically aligned unsteady vortices formed in the canyon. Comparison of the LES results from two chemical schemes (simple NO x -O 3 chemistry and a more comprehensive Reduced Chemical Scheme (RCS) chemical mechanism) shows that the concentrations of NO 2 and O x inside the street canyon are enhanced by approximately 30-40% via OH/HO 2 chemistry. NO, NO x , O 3 , OH and HO 2 are chemically consumed, while NO 2 and O x (total oxidant) are chemically produced within the canyon environment. Within-canyon pre-processing increases oxidant fluxes from the canyon to the overlying boundary layer, and this effect is greater for deeper street canyons (as found in many traditional European urban centres) than shallower (lower aspect ratio) streets. There is clear evidence of distinct behaviours for emitted chemical species and entrained chemical species, and positive (or negative) values of intensities of segregations are found between pairs of species with similar (or opposite) behaviour. The simplified two-box model underestimated NO and O 3 levels, but overestimated NO 2 levels for both the lower and upper canyon compared with the more realistic LES-chemistry model. This suggests that the segregation effect due to incomplete mixing reduces the chemical conversion rate of NO to NO 2 . This study reveals the impacts of nonlinear O 3 -NO x -VOC photochemical processes in the incomplete mixing environment and provides a better understanding of the pre-processing of emissions within canyons, prior to their release to the urban boundary layer, through the coupling of street canyon dynamics and chemistry. Copyright © 2017 Elsevier Ltd. All rights reserved.

Sonochemistry: what potential for conversion of lignocellulosic biomass into platform chemicals?

PubMed

Chatel, Gregory; De Oliveira Vigier, Karine; Jérôme, François

2014-10-01

This Review focuses on the use of ultrasound to produce chemicals from lignocellulosic biomass. However, the question about the potential of sonochemistry for valorization/conversion of lignocellulosic biomass into added-value chemicals is rather conceptual. Until now, this technology has been mainly used for the production of low-value chemicals such as biodiesel or as simple method for pretreatment or extraction. According to preliminary studies reported in literature, access to added-value chemicals can be easily and sometimes solely obtained by the use of ultrasound. The design of sonochemical parameters offers many opportunities to develop new eco-friendly and efficient processes. The goal of this Review is to understand why the use of ultrasound is focused rather on pretreatment or extraction of lignocellulosic biomass rather than on the production of chemicals and to understand, through the reported examples, which directions need to be followed to favor strategies based on ultrasound-assisted production of chemicals from lignocellulosic biomass. We believe that ultrasound-assisted processes represent an innovative approach and will create a growing interest in academia but also in the industry in the near future. Based on the examples reported in the literature, we critically discuss how sonochemistry could offer new strategies and give rise to new results in lignocellulosic biomass valorization. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Molpher: a software framework for systematic chemical space exploration

PubMed Central

2014-01-01

Background Chemical space is virtual space occupied by all chemically meaningful organic compounds. It is an important concept in contemporary chemoinformatics research, and its systematic exploration is vital to the discovery of either novel drugs or new tools for chemical biology. Results In this paper, we describe Molpher, an open-source framework for the systematic exploration of chemical space. Through a process we term ‘molecular morphing’, Molpher produces a path of structurally-related compounds. This path is generated by the iterative application of so-called ‘morphing operators’ that represent simple structural changes, such as the addition or removal of an atom or a bond. Molpher incorporates an optimized parallel exploration algorithm, compound logging and a two-dimensional visualization of the exploration process. Its feature set can be easily extended by implementing additional morphing operators, chemical fingerprints, similarity measures and visualization methods. Molpher not only offers an intuitive graphical user interface, but also can be run in batch mode. This enables users to easily incorporate molecular morphing into their existing drug discovery pipelines. Conclusions Molpher is an open-source software framework for the design of virtual chemical libraries focused on a particular mechanistic class of compounds. These libraries, represented by a morphing path and its surroundings, provide valuable starting data for future in silico and in vitro experiments. Molpher is highly extensible and can be easily incorporated into any existing computational drug design pipeline. PMID:24655571

Molpher: a software framework for systematic chemical space exploration.

PubMed

Hoksza, David; Skoda, Petr; Voršilák, Milan; Svozil, Daniel

2014-03-21

Chemical space is virtual space occupied by all chemically meaningful organic compounds. It is an important concept in contemporary chemoinformatics research, and its systematic exploration is vital to the discovery of either novel drugs or new tools for chemical biology. In this paper, we describe Molpher, an open-source framework for the systematic exploration of chemical space. Through a process we term 'molecular morphing', Molpher produces a path of structurally-related compounds. This path is generated by the iterative application of so-called 'morphing operators' that represent simple structural changes, such as the addition or removal of an atom or a bond. Molpher incorporates an optimized parallel exploration algorithm, compound logging and a two-dimensional visualization of the exploration process. Its feature set can be easily extended by implementing additional morphing operators, chemical fingerprints, similarity measures and visualization methods. Molpher not only offers an intuitive graphical user interface, but also can be run in batch mode. This enables users to easily incorporate molecular morphing into their existing drug discovery pipelines. Molpher is an open-source software framework for the design of virtual chemical libraries focused on a particular mechanistic class of compounds. These libraries, represented by a morphing path and its surroundings, provide valuable starting data for future in silico and in vitro experiments. Molpher is highly extensible and can be easily incorporated into any existing computational drug design pipeline.

Complex Protostellar Chemistry

NASA Technical Reports Server (NTRS)

Nuth, Joseph A., III; Johnson, Natasha M.

2012-01-01

Two decades ago, our understanding chemistry in protostars was simple -- matter either fell into the central star or was trapped in planetary-scale objects. Some minor chemical changes might occur as the dust and gas fell inward, but such effects were overwhelmed by the much larger-scale processes that occurred even in bodies as small as asteroids. The chemistry that did occur in the nebula was relatively easy to model because the fall from the cold molecular cloud into the growing star was a one-way trip down a well-known temperature pressure gradient; the only free variable was time. However, just over 10 years ago it was suggested that some material could be processed in the inner nebula, flow outward, and become incorporated into comets. This outward flow was confirmed when the Stardust mission returned crystalline mineral fragments from Comet Wild 2 that must have been processed close to the Sun before they were incorporated into the comet. In this week's Science Express, Ciesla and Sandford demonstrate that even the outermost regions of the solar nebula can be a chemically active environment. Their finding could have consequences for the rest of the nebula. Our understanding of the chemistry in protostellar systems has made enormous progress over the last few decades, fueled by an increased awareness of the complex dynamics of these evolving energetic nebulae. We can no longer consider just the simple local environment to explain the composition of a planet, asteroid, or comet as was done in the past, but must now consider chemical processes that might take place within the nebula as a whole as well as the probability of transport and mixing the products of such reactions throughout the system. just as we now find it impossible to explain the complex chemistry of the terrestrial atmosphere without reference to detailed transport models that interconnect highly dissimilar chemical environments, so chemical models of protostars and of the solar nebula must eventually treat these environments as tightly coupled, interactive systems. The demonstration that the chemistry on the surfaces of outward-flowing, dynamically mixing icy grain surfaces both mimics the chemistry in cold cloud cores and strikes at the central assumption of the photochemical self-shielding model for oxygen isotopes in solar system solids only adds emphasis to this conclusion.

Importance of the Correlation between Width and Length in the Shape Analysis of Nanorods: Use of a 2D Size Plot To Probe Such a Correlation.

PubMed

Zhao, Zhihua; Zheng, Zhiqin; Roux, Clément; Delmas, Céline; Marty, Jean-Daniel; Kahn, Myrtil L; Mingotaud, Christophe

2016-08-22

Analysis of nanoparticle size through a simple 2D plot is proposed in order to extract the correlation between length and width in a collection or a mixture of anisotropic particles. Compared to the usual statistics on the length associated with a second and independent statistical analysis of the width, this simple plot easily points out the various types of nanoparticles and their (an)isotropy. For each class of nano-objects, the relationship between width and length (i.e., the strong or weak correlations between these two parameters) may suggest information concerning the nucleation/growth processes. It allows one to follow the effect on the shape and size distribution of physical or chemical processes such as simple ripening. Various electron microscopy pictures from the literature or from the authors' own syntheses are used as examples to demonstrate the efficiency and simplicity of the proposed 2D plot combined with a multivariate analysis. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Equilibrium and disequilibrium chemistry of adiabatic, solar-composition planetary atmospheres

NASA Technical Reports Server (NTRS)

Lewis, J. S.

1976-01-01

The impact of atmospheric and cloud-structure models on the nonequilibrium chemical behavior of the atmospheres of the Jovian planets is discussed. Quantitative constraints on photochemical, lightning, and charged-particle production of organic matter and chromophores are emphasized whenever available. These considerations imply that inorganic chromophore production is far more important than that of organic chromophores, and that lightning is probably a negligibly significant process relative to photochemistry on Jupiter. Production of complex molecules by gas-phase disequilibrium processes on Saturn, Uranus, and Neptune is severely limited by condensation of even simple intermediates.

Focused Ion Beam Microscopy of ALH84001 Carbonate Disks

NASA Technical Reports Server (NTRS)

Thomas-Keprta, Kathie L.; Clemett, Simon J.; Bazylinski, Dennis A.; Kirschvink, Joseph L.; McKay, David S.; Vali, Hojatollah; Gibson, Everett K., Jr.; Romanek, Christopher S.

2005-01-01

Our aim is to understand the mechanism(s) of formation of carbonate assemblages in ALH84001. A prerequisite is that a detailed characterization of the chemical and physical properties of the carbonate be established. We present here analyses by transmission electron microscopy (TEM) of carbonate thin sections produced by both focused ion beam (FIB) sectioning and ultramicrotomy. Our results suggest that the formation of ALH84001 carbonate assemblages were produced by considerably more complex process(es) than simple aqueous precipitation followed by partial thermal decomposition as proposed by other investigators [e.g., 1-3].

CADDIS Volume 2. Sources, Stressors and Responses: Unspecified Toxic Chemicals

EPA Pesticide Factsheets

Intro to the unspecified toxic chemicals module, when to list toxic chemicals as a candidate cause, ways to measure toxic chemicals, simple and detailed conceptual diagrams for toxic chemicals, toxic chemicals module references and literature reviews.

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

Kim, J.; Moon, T.J.; Howell, J.R.

This paper presents an analysis of the heat transfer occurring during an in-situ curing process for which infrared energy is provided on the surface of polymer composite during winding. The material system is Hercules prepreg AS4/3501-6. Thermoset composites have an exothermic chemical reaction during the curing process. An Eulerian thermochemical model is developed for the heat transfer analysis of helical winding. The model incorporates heat generation due to the chemical reaction. Several assumptions are made leading to a two-dimensional, thermochemical model. For simplicity, 360{degree} heating around the mandrel is considered. In order to generate the appropriate process windows, the developedmore » heat transfer model is combined with a simple winding time model. The process windows allow for a proper selection of process variables such as infrared energy input and winding velocity to give a desired end-product state. Steady-state temperatures are found for each combination of the process variables. A regression analysis is carried out to relate the process variables to the resulting steady-state temperatures. Using regression equations, process windows for a wide range of cylinder diameters are found. A general procedure to find process windows for Hercules AS4/3501-6 prepreg tape is coded in a FORTRAN program.« less

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

Dehoff, Ryan R.; List, III, Frederick Alyious; Carver, Keith

ORNL Manufacturing Demonstration Facility worked with ECM Technologies LLC to investigate the use of precision electro-chemical machining technology to polish the surface of parts created by Arcam electron beam melting. The goals for phase one of this project have been met. The project goal was to determine whether electro-chemical machining is a viable method to improve the surface finish of Inconel 718 parts fabricated using the Arcam EBM method. The project partner (ECM) demonstrated viability for parts of both simple and complex geometry. During the course of the project, detailed process knowledge was generated. This project has resulted in themore » expansion of United States operations for ECM Technologies.« less

A Strategic Design of an Opto-Chemical Security Device with Resettable and Reconfigurable Password Based Upon Dual Channel Two-in-One Chemosensor Molecule.

PubMed

Majumdar, Tapas; Haldar, Basudeb; Mallick, Arabinda

2017-02-20

A simple strategy is proposed to design and develop an intelligent device based on dual channel ion responsive spectral properties of a commercially available molecule, harmine (HM). The system can process different sets of opto-chemical inputs generating different patterns as fluorescence outputs at specific wavelengths which can provide an additional level of protection exploiting both password and pattern recognitions. The proposed system could have the potential to come up with highly secured combinatorial locks at the molecular level that could pose valuable real time and on-site applications for user authentication.

Colorimetric detection of uranium in water

DOEpatents

DeVol, Timothy A [Clemson, SC; Hixon, Amy E [Piedmont, SC; DiPrete, David P [Evans, GA

2012-03-13

Disclosed are methods, materials and systems that can be used to determine qualitatively or quantitatively the level of uranium contamination in water samples. Beneficially, disclosed systems are relatively simple and cost-effective. For example, disclosed systems can be utilized by consumers having little or no training in chemical analysis techniques. Methods generally include a concentration step and a complexation step. Uranium concentration can be carried out according to an extraction chromatographic process and complexation can chemically bind uranium with a detectable substance such that the formed substance is visually detectable. Methods can detect uranium contamination down to levels even below the MCL as established by the EPA.

A Strategic Design of an Opto-Chemical Security Device with Resettable and Reconfigurable Password Based Upon Dual Channel Two-in-One Chemosensor Molecule

NASA Astrophysics Data System (ADS)

Majumdar, Tapas; Haldar, Basudeb; Mallick, Arabinda

2017-02-01

A simple strategy is proposed to design and develop an intelligent device based on dual channel ion responsive spectral properties of a commercially available molecule, harmine (HM). The system can process different sets of opto-chemical inputs generating different patterns as fluorescence outputs at specific wavelengths which can provide an additional level of protection exploiting both password and pattern recognitions. The proposed system could have the potential to come up with highly secured combinatorial locks at the molecular level that could pose valuable real time and on-site applications for user authentication.

Nanocapillary Atmospheric Pressure Plasma Jet: A Tool for Ultrafine Maskless Surface Modification at Atmospheric Pressure.

PubMed

Motrescu, Iuliana; Nagatsu, Masaaki

2016-05-18

With respect to microsized surface functionalization techniques we proposed the use of a maskless, versatile, simple tool, represented by a nano- or microcapillary atmospheric pressure plasma jet for producing microsized controlled etching, chemical vapor deposition, and chemical modification patterns on polymeric surfaces. In this work we show the possibility of size-controlled surface amination, and we discuss it as a function of different processing parameters. Moreover, we prove the successful connection of labeled sugar chains on the functionalized microscale patterns, indicating the possibility to use ultrafine capillary atmospheric pressure plasma jets as versatile tools for biosensing, tissue engineering, and related biomedical applications.

Direct, enantioselective α-alkylation of aldehydes using simple olefins

PubMed Central

Capacci, Andrew G.; Malinowski, Justin T.; McAlpine, Neil J.; Kuhne, Jerome; MacMillan, David W. C.

2017-01-01

Although the α-alkylation of ketones has already been established, the analogous reaction using aldehyde substrates has proven surprisingly elusive. Despite the structural similarities between the two classes of compounds, the sensitivity and unique reactivity of the aldehyde functionality has typically required activated substrates or specialized additives. Here, we show that the synergistic merger of three catalytic processes—photoredox, enamine and hydrogen-atom transfer (HAT) catalysis—enables an enantioselective α-aldehyde alkylation reaction that employs simple olefins as coupling partners. Chiral imidazolidinones or prolinols, in combination with a thiophenol, iridium photoredox catalyst and visible light, have been successfully used in a triple catalytic process that is temporally sequenced to deliver a new hydrogen and electron-borrowing mechanism. This multicatalytic process enables both intra- and intermolecular aldehyde α-methylene coupling with olefins to construct both cyclic and acyclic products, respectively. With respect to atom and step-economy ideals, this stereoselective process allows the production of high-value molecules from feedstock chemicals in one step while consuming only photons. PMID:29064486

Active disturbance rejection controller for chemical reactor

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

Both, Roxana; Dulf, Eva H.; Muresan, Cristina I., E-mail: roxana.both@aut.utcluj.ro

2015-03-10

In the petrochemical industry, the synthesis of 2 ethyl-hexanol-oxo-alcohols (plasticizers alcohol) is of high importance, being achieved through hydrogenation of 2 ethyl-hexenal inside catalytic trickle bed three-phase reactors. For this type of processes the use of advanced control strategies is suitable due to their nonlinear behavior and extreme sensitivity to load changes and other disturbances. Due to the complexity of the mathematical model an approach was to use a simple linear model of the process in combination with an advanced control algorithm which takes into account the model uncertainties, the disturbances and command signal limitations like robust control. However themore » resulting controller is complex, involving cost effective hardware. This paper proposes a simple integer-order control scheme using a linear model of the process, based on active disturbance rejection method. By treating the model dynamics as a common disturbance and actively rejecting it, active disturbance rejection control (ADRC) can achieve the desired response. Simulation results are provided to demonstrate the effectiveness of the proposed method.« less

Direct, enantioselective α-alkylation of aldehydes using simple olefins

NASA Astrophysics Data System (ADS)

Capacci, Andrew G.; Malinowski, Justin T.; McAlpine, Neil J.; Kuhne, Jerome; MacMillan, David W. C.

2017-11-01

Although the α-alkylation of ketones has already been established, the analogous reaction using aldehyde substrates has proven surprisingly elusive. Despite the structural similarities between the two classes of compounds, the sensitivity and unique reactivity of the aldehyde functionality has typically required activated substrates or specialized additives. Here, we show that the synergistic merger of three catalytic processes—photoredox, enamine and hydrogen-atom transfer (HAT) catalysis—enables an enantioselective α-aldehyde alkylation reaction that employs simple olefins as coupling partners. Chiral imidazolidinones or prolinols, in combination with a thiophenol, iridium photoredox catalyst and visible light, have been successfully used in a triple catalytic process that is temporally sequenced to deliver a new hydrogen and electron-borrowing mechanism. This multicatalytic process enables both intra- and intermolecular aldehyde α-methylene coupling with olefins to construct both cyclic and acyclic products, respectively. With respect to atom and step-economy ideals, this stereoselective process allows the production of high-value molecules from feedstock chemicals in one step while consuming only photons.

Morphological and physical - chemical issues of metal nanostructures used in medical field

NASA Astrophysics Data System (ADS)

Duceac, L. D.; Velenciuc, N.; Dobre, E. C.

2016-06-01

In recent years applications of nanotechnology integrated into nanomedicine and bio-nanotechnology have attracted the attention of many researchers from different fields. Processes from chemical engineering especially nanostructured materials play an important role in medical and pharmaceutical development. Fundamental researches focused on finding simple, easily accomplished synthesis methods, morphological aspects and physico-chemical advanced characterization of nanomaterials. More over, by controlling synthesis conditions textural characteristics and physicochemical properties such as particle size, shape, surface, porosity, aggregation degree and composition can be tailored. Low cytotoxicity and antimicrobial effects of these nanostructured materials makes them be applied in medicine field. The major advantage of metal based nanoparticles is the use either for their antimicrobial properties or as drug-carriers having the potential to be active at low concentrations against infectious agents.

Automated Discovery of Elementary Chemical Reaction Steps Using Freezing String and Berny Optimization Methods.

PubMed

Suleimanov, Yury V; Green, William H

2015-09-08

We present a simple protocol which allows fully automated discovery of elementary chemical reaction steps using in cooperation double- and single-ended transition-state optimization algorithms--the freezing string and Berny optimization methods, respectively. To demonstrate the utility of the proposed approach, the reactivity of several single-molecule systems of combustion and atmospheric chemistry importance is investigated. The proposed algorithm allowed us to detect without any human intervention not only "known" reaction pathways, manually detected in the previous studies, but also new, previously "unknown", reaction pathways which involve significant atom rearrangements. We believe that applying such a systematic approach to elementary reaction path finding will greatly accelerate the discovery of new chemistry and will lead to more accurate computer simulations of various chemical processes.

The Efficient Clade: Lactic Acid Bacteria for Industrial Chemical Production.

PubMed

Sauer, Michael; Russmayer, Hannes; Grabherr, Reingard; Peterbauer, Clemens K; Marx, Hans

2017-08-01

Lactic acid bacteria are well known to be beneficial for food production and, as probiotics, they are relevant for many aspects of health. However, their potential as cell factories for the chemical industry is only emerging. Many physiological traits of these microorganisms, evolved for optimal growth in their niche, are also valuable in an industrial context. Here, we illuminate these features and describe why the distinctive adaptation of lactic acid bacteria is particularly useful when developing a microbial process for chemical production from renewable resources. High carbon uptake rates with low biomass formation combined with strictly regulated simple metabolic pathways, leading to a limited number of metabolites, are among the key factors defining their success in both nature and industry. Copyright © 2017 Elsevier Ltd. All rights reserved.

Introduction

NASA Astrophysics Data System (ADS)

Kirby, Evan N.

2018-06-01

Dwarf galaxies are excellent laboratories of chemical evolution. Many dwarf galaxies have simple star formation histories with very low average star formation rates. These conditions simplify models of chemical evolution and facilitate the identification of sites of nucleosynthesis. Dwarf galaxies also host extremely metal-poor stars, which sample the ejecta of the first generations of supernovae in the universe. This meeting-in-a-meeting, "Stellar Abundances in Dwarf Galasxies," will recognize the importance of dwarf galaxies in learning about the creation and evolution of the elements. Topics include: * the most metal-poor stars * the connection between dwarf galaxies and the Milky Way halo * dwarf galaxies as the paragons of r-process nucleosynthesis * modern techniques in stellar abundance measurements * recent advances in chemical evolution modelingI will give a very brief introduction to set the stage for the meeting.

Kinetic properties of Rhizopus oryzae RPG1 endo-polygalacturonase hydrolyzing galacturonic acid oligomers

USDA-ARS?s Scientific Manuscript database

Future fuel and specialty chemical production will benefit from the use of agricultural biomass. Efficient and effective use of agricultural biomass requires conversion to simple sugars by chemical pre-treatments and enzymes into simple sugars. Rhizopus oryzae, a filamentous fungus, makes enzymes ca...

High-Performance Liquid Chromatography in the Undergraduate Chemical Engineering Laboratory

ERIC Educational Resources Information Center

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

2013-01-01

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

Prediction of Transport Properties of Permeants through Polymer Films. A Simple Gravimetric Experiment.

ERIC Educational Resources Information Center

Britton, L. N.; And Others

1988-01-01

Considers the applicability of the simple emersion/weight-gain method for predicting diffusion coefficients, solubilities, and permeation rates of chemicals in polymers that do not undergo physical and chemical deterioration. Presents the theoretical background, procedures and typical results related to this activity. (CW)

CADDIS Volume 2. Sources, Stressors and Responses: Unspecified Toxic Chemicals - Detailed Conceptual Diagram

EPA Pesticide Factsheets

Intro to the unspecified toxic chemicals module, when to list toxic chemicals as a candidate cause, ways to measure toxic chemicals, simple and detailed conceptual diagrams for toxic chemicals, toxic chemicals module references and literature reviews.

Caenorhabditis elegans in regenerative medicine: a simple model for a complex discipline.

PubMed

Aitlhadj, Layla; Stürzenbaum, Stephen R

2014-06-01

Stem cell research is a major focus of regenerative medicine, which amalgamates diverse disciplines ranging from developmental cell biology to chemical and genetic therapy. Although embryonic stem cells have provided the foundation of stem cell therapy, they offer an in vitro study system that might not provide the best insight into mechanisms and behaviour of cells within living organisms. Caenorhabditis elegans is a well defined model organism with highly conserved cell development and signalling processes that specify cell fate. Its genetic amenability coupled with its chemical screening applicability make the nematode well suited as an in vivo system in which regenerative therapy and stem cell processes can be explored. Here, we describe some of the major advances in stem cell research from the worm's perspective. Copyright © 2014 Elsevier Ltd. All rights reserved.

Real-Time XRD Studies of Li-O2 Electrochemical Reaction in Nonaqueous Lithium-Oxygen Battery.

PubMed

Lim, Hyunseob; Yilmaz, Eda; Byon, Hye Ryung

2012-11-01

Understanding of electrochemical process in rechargeable Li-O2 battery has suffered from lack of proper analytical tool, especially related to the identification of chemical species and number of electrons involved in the discharge/recharge process. Here we present a simple and straightforward analytical method for simultaneously attaining chemical and quantified information of Li2O2 (discharge product) and byproducts using in situ XRD measurement. By real-time monitoring of solid-state Li2O2 peak area, the accurate efficiency of Li2O2 formation and the number of electrons can be evaluated during full discharge. Furthermore, by observation of sequential area change of Li2O2 peak during recharge, we found nonlinearity of Li2O2 decomposition rate for the first time in ether-based electrolyte.

Multinational Experiment 7. Space: Dependencies, Vulnerabilities and Threats

DTIC Science & Technology

2012-01-01

service, a simple traffic light system is used to indicate the level of dependency that exists on space within the overall process of successful service...debris release during operations; minimise the potential for spacecraft and rocket body break-up; limit the probability of accidental collision on orbit...Strong winds  Flooding  Accidents at industrial installations e.g. nuclear power stations  Volcanic activity  Chemical spills (sea/on land

Super-hydrophobic coatings with nano-size roughness prepared with simple PECVD method

NASA Astrophysics Data System (ADS)

Choi, Yoon S.; Lee, Joon S.; Jin, Su B.; Han, Jeon G.

2013-08-01

A simple and conventional method to synthesize nearly flat super-hydrophobic coatings was studied. Conventional plasma enhanced chemical vapour deposition (PECVD) was adopted to synthesize hydrophobic coatings on plastic and glass substrates at room temperature. Hexamethyldisilane was used as a precursor, and hydrogen gas was added to modulate the surface roughness and passivate defects, such as dangling bond and electrically uncovered polar sites rendering non-hydrophobicity. The static water contact angle (WCA) was controlled in the range 120°-160° by adjusting process parameters, especially the hydrogen flow rate and power. AFM showed that the film with a WCA of 145° has as small as 2.5 nm roughness in rms value. In the resistance test of salt water and cosmetics, this film showed excellent results owing to super-hydrophobicity and defect passivation which keeps the surface isolated from external agents. In order to exploit these results, Rare gas analysis was used to examine the process plasma and Fourier transform infrared (FTIR) was used to analyse the chemical structures of the super-hydrophobic films. In the FTIR results, the remarkable increase in the modes of Si-Hx and Si-C bonds as well as Si-CH2-Si in the film was observed indicating the defect passivation and closely packed dense film structure.

0.8 V nanogenerator for mechanical energy harvesting using bismuth titanate-PDMS nanocomposite

NASA Astrophysics Data System (ADS)

Abinnas, N.; Baskaran, P.; Harish, S.; Ganesh, R. Sankar; Navaneethan, M.; Nisha, K. D.; Ponnusamy, S.; Muthamizhchelvan, C.; Ikeda, H.; Hayakawa, Y.

2017-10-01

We present a novel, low-cost approach to fabricate piezoelectric nanogenerators using Bismuth titanate (BiT)/Polydimethylsiloxane (PDMS) nanocomposite. The nanogenerator has the advantage of the simple process of fabrication and is eco-friendly. This simple device was fabricated to harvest the energy released from finger tapping. This device generated an output of 0.8 V. The BiT samples were synthesized by wet chemical method. The structural, dielectric and ferroelectric properties of the samples were analyzed. Phase analysis using X-ray diffraction indicated that the phase structure was orthorhombic. The FESEM images of the sample calcined at 700 °C exhibited sheet-like morphology. Further characterizations like XPS, Raman studies, TEM were done.

PumpKin: A tool to find principal pathways in plasma chemical models

NASA Astrophysics Data System (ADS)

Markosyan, A. H.; Luque, A.; Gordillo-Vázquez, F. J.; Ebert, U.

2014-10-01

PumpKin is a software package to find all principal pathways, i.e. the dominant reaction sequences, in chemical reaction systems. Although many tools are available to integrate numerically arbitrarily complex chemical reaction systems, few tools exist in order to analyze the results and interpret them in relatively simple terms. In particular, due to the large disparity in the lifetimes of the interacting components, it is often useful to group reactions into pathways that recycle the fastest species. This allows a researcher to focus on the slow chemical dynamics, eliminating the shortest timescales. Based on the algorithm described by Lehmann (2004), PumpKin automates the process of finding such pathways, allowing the user to analyze complex kinetics and to understand the consumption and production of a certain species of interest. We designed PumpKin with an emphasis on plasma chemical systems but it can also be applied to atmospheric modeling and to industrial applications such as plasma medicine and plasma-assisted combustion.

Toward all-carbon electronics: fabrication of graphene-based flexible electronic circuits and memory cards using maskless laser direct writing.

PubMed

Liang, Jiajie; Chen, Yongsheng; Xu, Yanfei; Liu, Zhibo; Zhang, Long; Zhao, Xin; Zhang, Xiaoliang; Tian, Jianguo; Huang, Yi; Ma, Yanfeng; Li, Feifei

2010-11-01

Owing to its extraordinary electronic property, chemical stability, and unique two-dimensional nanostructure, graphene is being considered as an ideal material for the highly expected all-carbon-based micro/nanoscale electronics. Herein, we present a simple yet versatile approach to constructing all-carbon micro/nanoelectronics using solution-processing graphene films directly. From these graphene films, various graphene-based microcosmic patterns and structures have been fabricated using maskless computer-controlled laser cutting. Furthermore, a complete system involving a prototype of a flexible write-once-read-many-times memory card and a fast data-reading system has been demonstrated, with infinite data retention time and high reliability. These results indicate that graphene could be the ideal material for fabricating the highly demanded all-carbon and flexible devices and electronics using the simple and efficient roll-to-roll printing process when combined with maskless direct data writing.

Rock-weathering rates as functions of time

USGS Publications Warehouse

Colman, Steven M.

1981-01-01

The scarcity of documented numerical relations between rock weathering and time has led to a common assumption that rates of weathering are linear. This assumption has been strengthened by studies that have calculated long-term average rates. However, little theoretical or empirical evidence exists to support linear rates for most chemical-weathering processes, with the exception of congruent dissolution processes. The few previous studies of rock-weathering rates that contain quantitative documentation of the relation between chemical weathering and time suggest that the rates of most weathering processes decrease with time. Recent studies of weathering rinds on basaltic and andesitic stones in glacial deposits in the western United States also clearly demonstrate that rock-weathering processes slow with time. Some weathering processes appear to conform to exponential functions of time, such as the square-root time function for hydration of volcanic glass, which conforms to the theoretical predictions of diffusion kinetics. However, weathering of mineralogically heterogeneous rocks involves complex physical and chemical processes that generally can be expressed only empirically, commonly by way of logarithmic time functions. Incongruent dissolution and other weathering processes produce residues, which are commonly used as measures of weathering. These residues appear to slow movement of water to unaltered material and impede chemical transport away from it. If weathering residues impede weathering processes then rates of weathering and rates of residue production are inversely proportional to some function of the residue thickness. This results in simple mathematical analogs for weathering that imply nonlinear time functions. The rate of weathering becomes constant only when an equilibrium thickness of the residue is reached. Because weathering residues are relatively stable chemically, and because physical removal of residues below the ground surface is slight, many weathering features require considerable time to reach constant rates of change. For weathering rinds on volcanic stones in the western United States, this time is at least 0.5 my. ?? 1981.

Superhydrophobic aluminum alloy surfaces by a novel one-step process.

PubMed

Saleema, N; Sarkar, D K; Paynter, R W; Chen, X-G

2010-09-01

A simple one-step process has been developed to render aluminum alloy surfaces superhydrophobic by immersing the aluminum alloy substrates in a solution containing NaOH and fluoroalkyl-silane (FAS-17) molecules. Scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS) and water contact angle measurements have been performed to characterize the morphological features, chemical composition and superhydrophobicity of the surfaces. The resulting surfaces provided a water contact angle as high as ∼162° and a contact angle hysteresis as low as ∼4°. The study indicates that it is possible to fabricate superhydrophobic aluminum surfaces easily and effectively without involving the traditional two-step processes.

Coagulation chemistries for silica removal from cooling tower water.

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

Nyman, May Devan; Altman, Susan Jeanne; Stewart, Tom

2010-02-01

The formation of silica scale is a problem for thermoelectric power generating facilities, and this study investigated the potential for removal of silica by means of chemical coagulation from source water before it is subjected to mineral concentration in cooling towers. In Phase I, a screening of many typical as well as novel coagulants was carried out using concentrated cooling tower water, with and without flocculation aids, at concentrations typical for water purification with limited results. In Phase II, it was decided that treatment of source or make up water was more appropriate, and that higher dosing with coagulants deliveredmore » promising results. In fact, the less exotic coagulants proved to be more efficacious for reasons not yet fully determined. Some analysis was made of the molecular nature of the precipitated floc, which may aid in process improvements. In Phase III, more detailed study of process conditions for aluminum chloride coagulation was undertaken. Lime-soda water softening and the precipitation of magnesium hydroxide were shown to be too limited in terms of effectiveness, speed, and energy consumption to be considered further for the present application. In Phase IV, sodium aluminate emerged as an effective coagulant for silica, and the most attractive of those tested to date because of its availability, ease of use, and low requirement for additional chemicals. Some process optimization was performed for coagulant concentration and operational pH. It is concluded that silica coagulation with simple aluminum-based agents is effective, simple, and compatible with other industrial processes.« less

Biomass in the manufacture of industrial products—the use of proteins and amino acids

PubMed Central

Peter, Francisc; Sanders, Johan

2007-01-01

The depletion in fossil feedstocks, increasing oil prices, and the ecological problems associated with CO2 emissions are forcing the development of alternative resources for energy, transport fuels, and chemicals: the replacement of fossil resources with CO2 neutral biomass. Allied with this, the conversion of crude oil products utilizes primary products (ethylene, etc.) and their conversion to either materials or (functional) chemicals with the aid of co-reagents such as ammonia and various process steps to introduce functionalities such as -NH2 into the simple structures of the primary products. Conversely, many products found in biomass often contain functionalities. Therefore, it is attractive to exploit this to bypass the use, and preparation of, co-reagents as well as eliminating various process steps by utilizing suitable biomass-based precursors for the production of chemicals. It is the aim of this mini-review to describe the scope of the possibilities to generate current functionalized chemical materials using amino acids from biomass instead of fossil resources, thereby taking advantage of the biomass structure in a more efficient way than solely utilizing biomass for the production of fuels or electricity. PMID:17387469

Continuous variables logic via coupled automata using a DNAzyme cascade with feedback.

PubMed

Lilienthal, S; Klein, M; Orbach, R; Willner, I; Remacle, F; Levine, R D

2017-03-01

The concentration of molecules can be changed by chemical reactions and thereby offer a continuous readout. Yet computer architecture is cast in textbooks in terms of binary valued, Boolean variables. To enable reactive chemical systems to compute we show how, using the Cox interpretation of probability theory, one can transcribe the equations of chemical kinetics as a sequence of coupled logic gates operating on continuous variables. It is discussed how the distinct chemical identity of a molecule allows us to create a common language for chemical kinetics and Boolean logic. Specifically, the logic AND operation is shown to be equivalent to a bimolecular process. The logic XOR operation represents chemical processes that take place concurrently. The values of the rate constants enter the logic scheme as inputs. By designing a reaction scheme with a feedback we endow the logic gates with a built in memory because their output then depends on the input and also on the present state of the system. Technically such a logic machine is an automaton. We report an experimental realization of three such coupled automata using a DNAzyme multilayer signaling cascade. A simple model verifies analytically that our experimental scheme provides an integrator generating a power series that is third order in time. The model identifies two parameters that govern the kinetics and shows how the initial concentrations of the substrates are the coefficients in the power series.

Hyperspectral chemical plume detection algorithms based on multidimensional iterative filtering decomposition.

PubMed

Cicone, A; Liu, J; Zhou, H

2016-04-13

Chemicals released in the air can be extremely dangerous for human beings and the environment. Hyperspectral images can be used to identify chemical plumes, however the task can be extremely challenging. Assuming we know a priori that some chemical plume, with a known frequency spectrum, has been photographed using a hyperspectral sensor, we can use standard techniques such as the so-called matched filter or adaptive cosine estimator, plus a properly chosen threshold value, to identify the position of the chemical plume. However, due to noise and inadequate sensing, the accurate identification of chemical pixels is not easy even in this apparently simple situation. In this paper, we present a post-processing tool that, in a completely adaptive and data-driven fashion, allows us to improve the performance of any classification methods in identifying the boundaries of a plume. This is done using the multidimensional iterative filtering (MIF) algorithm (Cicone et al. 2014 (http://arxiv.org/abs/1411.6051); Cicone & Zhou 2015 (http://arxiv.org/abs/1507.07173)), which is a non-stationary signal decomposition method like the pioneering empirical mode decomposition method (Huang et al. 1998 Proc. R. Soc. Lond. A 454, 903. (doi:10.1098/rspa.1998.0193)). Moreover, based on the MIF technique, we propose also a pre-processing method that allows us to decorrelate and mean-centre a hyperspectral dataset. The cosine similarity measure, which often fails in practice, appears to become a successful and outperforming classifier when equipped with such a pre-processing method. We show some examples of the proposed methods when applied to real-life problems. © 2016 The Author(s).

A reactive distillation process for the treatment of LiCl-KCl eutectic waste salt containing rare earth chlorides

NASA Astrophysics Data System (ADS)

Eun, H. C.; Choi, J. H.; Kim, N. Y.; Lee, T. K.; Han, S. Y.; Lee, K. R.; Park, H. S.; Ahn, D. H.

2016-11-01

The pyrochemical process, which recovers useful resources (U/TRU metals) from used nuclear fuel using an electrochemical method, generates LiCl-KCl eutectic waste salt containing radioactive rare earth chlorides (RECl3). It is necessary to develop a simple process for the treatment of LiCl-KCl eutectic waste salt in a hot-cell facility. For this reason, a reactive distillation process using a chemical agent was achieved as a method to separate rare earths from the LiCl-KCl waste salt. Before conducting the reactive distillation, thermodynamic equilibrium behaviors of the reactions between rare earth (Nd, La, Ce, Pr) chlorides and the chemical agent (K2CO3) were predicted using software. The addition of the chemical agent was determined to separate the rare earth chlorides into an oxide form using these equilibrium results. In the reactive distillation test, the rare earth chlorides in LiCl-KCl eutectic salt were decontaminated at a decontamination factor (DF) of more than 5000, and were mainly converted into oxide (Nd2O3, CeO2, La2O3, Pr2O3) or oxychloride (LaOCl, PrOCl) forms. The LiCl-KCl was purified into a form with a very low concentration (<1 ppm) for the rare earth chlorides.

Aligned carbon nanotube, graphene and graphite oxide thin films via substrate-directed rapid interfacial deposition

NASA Astrophysics Data System (ADS)

D'Arcy, Julio M.; Tran, Henry D.; Stieg, Adam Z.; Gimzewski, James K.; Kaner, Richard B.

2012-05-01

A procedure for depositing thin films of carbon nanostructures is described that overcomes the limitations typically associated with solution based methods. Transparent and conductively continuous carbon coatings can be grown on virtually any type of substrate within seconds. Interfacial surface tension gradients result in directional fluid flow and film spreading at the water/oil interface. Transparent films of carbon nanostructures are produced including aligned ropes of single-walled carbon nanotubes and assemblies of single sheets of chemically converted graphene and graphite oxide. Process scale-up, layer-by-layer deposition, and a simple method for coating non-activated hydrophobic surfaces are demonstrated.A procedure for depositing thin films of carbon nanostructures is described that overcomes the limitations typically associated with solution based methods. Transparent and conductively continuous carbon coatings can be grown on virtually any type of substrate within seconds. Interfacial surface tension gradients result in directional fluid flow and film spreading at the water/oil interface. Transparent films of carbon nanostructures are produced including aligned ropes of single-walled carbon nanotubes and assemblies of single sheets of chemically converted graphene and graphite oxide. Process scale-up, layer-by-layer deposition, and a simple method for coating non-activated hydrophobic surfaces are demonstrated. Electronic supplementary information (ESI) available: Droplet coalescence, catenoid formation, mechanism of film growth, scanning electron micrographs showing carbon nanotube alignment, flexible transparent films of SWCNTs, AFM images of a chemically converted graphene film, and SEM images of SWCNT free-standing thin films. See DOI: 10.1039/c2nr00010e

Modeling of chemical inhibition from amyloid protein aggregation kinetics.

PubMed

Vázquez, José Antonio

2014-02-27

The process of amyloid proteins aggregation causes several human neuropathologies. In some cases, e.g. fibrillar deposits of insulin, the problems are generated in the processes of production and purification of protein and in the pump devices or injectable preparations for diabetics. Experimental kinetics and adequate modelling of chemical inhibition from amyloid aggregation are of practical importance in order to study the viable processing, formulation and storage as well as to predict and optimize the best conditions to reduce the effect of protein nucleation. In this manuscript, experimental data of insulin, Aβ42 amyloid protein and apomyoglobin fibrillation from recent bibliography were selected to evaluate the capability of a bivariate sigmoid equation to model them. The mathematical functions (logistic combined with Weibull equation) were used in reparameterized form and the effect of inhibitor concentrations on kinetic parameters from logistic equation were perfectly defined and explained. The surfaces of data were accurately described by proposed model and the presented analysis characterized the inhibitory influence on the protein aggregation by several chemicals. Discrimination between true and apparent inhibitors was also confirmed by the bivariate equation. EGCG for insulin (working at pH = 7.4/T = 37°C) and taiwaniaflavone for Aβ42 were the compounds studied that shown the greatest inhibition capacity. An accurate, simple and effective model to investigate the inhibition of chemicals on amyloid protein aggregation has been developed. The equation could be useful for the clear quantification of inhibitor potential of chemicals and rigorous comparison among them.

Controlling exposure to chemicals: a simple guide.

PubMed

Hay, Alastair

2006-09-01

Controlling exposure to chemicals in the workplace has been made easier by the use of a guide published by the U.K. Health and Safety Executive (HSE). Known as COSHH (Control of Substances Hazardous to Health Regulations) Essentials, the guide is a simple five-step procedure to devise appropriate control strategies to reduce exposures to various substances under different conditions. U.K. health and safety law requires risk assessments prior to use of hazardous substances and installation of appropriate control strategies before work commences. A 1996 survey of 1500 safety managers and trade union safety representatives revealed that the majority had little understanding of occupational safety limits for chemicals. Small- and medium-sized companies had little understanding of limits, and most could not develop control strategies. A new approach was required. COSHH Essentials is it. Developed over 3 years by a working group of hygienists and toxicologists representing HSE, industry, trade unions, and independent experts, the guide is now available in both paper-based and internet versions. It applies a hazard banding approach validated by data for 111 substances that have well-founded U.K. occupational exposure limits. New users select an appropriate hazard band for chemicals based on risk phrases. Details about dustiness for powders or volatility for liquids are inserted, and the guide allocates substances to one of four exposure bands linked, in turn, to specific control strategies. Now accessible through the HSE web site, COSHH Essentials will offer control strategies for both single chemicals and whole processes. To date over 300,000 risk assessments have been carried out using the internet version of COSHH Essentials.

Quantifying variability in removal efficiencies of chemicals in activated sludge wastewater treatment plants - a meta-analytical approach.

PubMed

Douziech, Mélanie; Conesa, Irene Rosique; Benítez-López, Ana; Franco, Antonio; Huijbregts, Mark; van Zelm, Rosalie

2018-01-24

Large variations in removal efficiencies (REs) of chemicals have been reported for monitoring studies of activated sludge wastewater treatment plants (WWTPs). In this work, we conducted a meta-analysis on REs (1539 data points) for a set of 209 chemicals consisting of fragrances, surfactants, and pharmaceuticals in order to assess the drivers of the variability relating to inherent properties of the chemicals and operational parameters of activated sludge WWTPs. For a reduced dataset (n = 542), we developed a mixed-effect model (meta-regression) to explore the observed variability in REs for the chemicals using three chemical specific factors and four WWTP-related parameters. The overall removal efficiency of the set of chemicals was 82.1% (95% CI 75.2-87.1%, N = 1539). Our model accounted for 17% of the total variability in REs, while the process-based model SimpleTreat did not perform better than the average of the measured REs. We identified that, after accounting for other factors potentially influencing RE, readily biodegradable compounds were better removed than non-readily biodegradable ones. Further, we showed that REs increased with increasing sludge retention times (SRTs), especially for non-readily biodegradable compounds. Finally, our model highlighted a decrease in RE with increasing K OC . The counterintuitive relationship to K OC stresses the need for a better understanding of electrochemical interactions influencing the RE of ionisable chemicals. In addition, we highlighted the need to improve the modelling of chemicals that undergo deconjugation when predicting RE. Our meta-analysis represents a first step in better explaining the observed variability in measured REs of chemicals. It can be of particular help to prioritize the improvements required in existing process-based models to predict removal efficiencies of chemicals in WWTPs.

Chemical approaches to carbon dioxide utilization for manned Mars missions

NASA Technical Reports Server (NTRS)

Hepp, Aloysius F.; Landis, Geoffrey A.; Kubiak, Clifford P.

1991-01-01

Use of resources available in situ is a critical enabling technology for a permanent human presence in space. A permanent presence on Mars, e.g., requires a large infrastructure to sustain life under hostile conditions. As a resource on Mars, atmospheric CO2 is as follows: abundant; available at all points on the surface; of known presence; chemically simple; and can be obtained by simple compression. Many studies focus on obtaining O2 and the various uses for O2 including life support and fuel; discussion of CO, the coproduct from CO2 fixation revolves around its uses as a fuel, being oxidized back to CO2. Several new proposals are studied for CO2 fixation through chemical, photochemical, and photoelectrochemical means. For example, the reduction of CO2 to hydrocarbons such as acetylene (C2H2) can be accomplished with H2. C2H2 has a theoretical vacuum specific impulse of approx. 375 secs. Potential uses were also studied of CO2, as obtained or further reduced to carbon, as a reducing agent in metal oxide processing to form metals or metal carbides for use as structural or power materials; the CO2 can be recycled to generate O2 and CO.

Use of questionnaires and an expert panel to judge the environmental consequences of chemical spills for the development of an environment-accident index.

PubMed

Andersson, Asa Scott; Stjernström, Olof; Fängmark, Ingrid

2005-05-01

Assessing the environmental consequences of a chemical accident is a complex task. To date, the methods used to evaluate the environmental effects of an acute release of a chemical have often been based on measurements of chemical and physical variables deemed to be important, such as the concentration of the chemical. However, a broader strategy is needed to predict the environmental consequences of potential accidents during the planning process. An Environment-Accident Index (EAI), a simple tool based on such a strategy, has been developed to facilitate the consideration of a multitude of influential variables. The objectives of this study were to evaluate whether questionnaire-based expert panel's judgements could provide useful data on the environmental consequences of chemical spills, and an effective basis for further development of the EAI. As expected, the judgements did not agree perfectly, but they do give rough indications of the environmental effects, and highlight consistent trends that should be useful inputs for planning, prevention and decontamination processes. The different accidents were also judged to have caused everything from minor to very major effects in the environment, implying that a wide range of accident scenarios were represented in the material and covered by the EAI. Therefore, questionnaires and expert panel judgements can be used to collect useful data for estimating the likely environmental consequences of chemical accidents and for further development of the EAI.

Improved Orifice Plate for Spray Gun

NASA Technical Reports Server (NTRS)

Cunningham, W.

1986-01-01

Erratic spray pattern of commercial spray gun changed to repeatable one by simple redesign of two parts. In modified spray gun orifice plate and polytetrafluoroethylene bushing redesigned to assure centering and alignment with nozzle. Such improvement useful in many industrial applications requiring repeatable spray patterns. Might include spraying of foam insulation, paint, other protective coatings, detergents, abrasives, adhesives, process chemicals, or fuels. Unmodified spray gun produces erratic spray because lateral misalignment between orifice plate and nozzle.

The Interaction of UV-Laser Radiation with Metal and Semiconductor Surfaces

DTIC Science & Technology

1992-05-26

order of magnitude larger than the typical widths of non- 43 R.C. Weast, ed., Handbook of Chemistry and Physics, p. D-185 (CRC Press, 1986). 25 resonant...fundamental chemistry and practical applications of laser chemical processing techniques involved photofragmentation of relatively 28 simple metal-alkyl...pressure of the gas was monitored with a capacitance manometer. A variety of techniques were used in this work to examine the surface-phase chemistry and

Myosin Motors: The Chemical Restraints Imposed by ATP

NASA Astrophysics Data System (ADS)

Rayment, I.; Allingham, J.

Most molecular motors use ATP. This is not surprising since this is the universal currency of energy for most of life's processes. The question to be addressed in this chapter is how does the fundamental chemistry of ATP hydrolysis in- fluence the observed organization of linear molecular motors seen today with a focus on myosin. This chapter is written to ask in simple terms what can be gained by reconsidering the chemistry of ATP hydrolysis.

Optogenetic Random Mutagenesis Using Histone-miniSOG in C. elegans.

PubMed

Noma, Kentaro; Jin, Yishi

2016-11-14

Forward genetic screening in model organisms is the workhorse to discover functionally important genes and pathways in many biological processes. In most mutagenesis-based screens, researchers have relied on the use of toxic chemicals, carcinogens, or irradiation, which requires designated equipment, safety setup, and/or disposal of hazardous materials. We have developed a simple approach to induce heritable mutations in C. elegans using germline-expressed histone-miniSOG, a light-inducible potent generator of reactive oxygen species. This mutagenesis method is free of toxic chemicals and requires minimal laboratory safety and waste management. The induced DNA modifications include single-nucleotide changes and small deletions, and complement those caused by classical chemical mutagenesis. This methodology can also be used to induce integration of extrachromosomal transgenes. Here, we provide the details of the LED setup and protocols for standard mutagenesis and transgene integration.

Class and Home Problems: Humidification, a True "Home" Problem for p. Chemical Engineer

ERIC Educational Resources Information Center

Condoret, Jean-Stephane

2012-01-01

The problem of maintaining hygrothermal comfort in a house is addressed using the chemical engineer's toolbox. A simple dynamic modelling proved to give a good description of the humidification of the house in winter, using a domestic humidifier. Parameters of the model were identified from a simple experiment. Surprising results, especially…

Fundamental Concepts in the Teaching of Chemistry.

ERIC Educational Resources Information Center

Loeffler, Paul A.

1989-01-01

Presented is a simple, unified approach to chemical nomenclature which employs the distinction between the terms chemical substance and chemical species. The classification of matter and chemical nomenclature are used as examples to illustrate this scheme. (CW)

Recent advances in the chemical modification of unsaturated polymers

NASA Technical Reports Server (NTRS)

Schulz, D. N.; Turner, S. R.; Golub, M. A.

1982-01-01

The present discussion has the objective to update the most comprehensive reviews on the considered subject and to fill in the gaps of less complete, but more modern treatments. Only simple chemical functionalization or structural modification of unsaturated polymers are covered, and the literature of diene polymer modification since 1974 is emphasized. Attention is given to hydrogenation, halogenation and hydrohalogenation, cyclization, cis-trans isomerization, epoxidation, ene and other cycloaddition reactions, sulfonation, carboxylation, phosphonylation, sulfenyl chloride addition, carbene addition, metalation, and silylation. It is pointed out that modern synthetic reagents and catalysts have been advantageously employed to improve process and/or product quality. Synthetic techniques have been refined to allow the selective modification of specific polymer microstructures or blocks.

(Preoxidation cleaning optimization for crystalline silicon)

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

Not Available

1991-01-01

A series of controlled experiments has been performed in Sandia's Photovoltaic Device Fabrication Laboratory to evaluate the effect of various chemical surface treatments on the recombination lifetime of crystalline silicon wafers subjected to a high-temperature dry oxidation. From this series of experiments we have deduced a relatively simple yet effective cleaning sequence. We have also evaluated the effect of different chemical damage-removal etches for improving the recombination lifetime and surface smoothness of mechanically lapped wafers. This paper presents the methodology used, the experimental results obtained, and our experience with using this process on a continuing basis over a period ofmore » many months. 7 refs., 4 figs., 1 tab.« less

Industrial Catalysis: A Practical Guide

NASA Astrophysics Data System (ADS)

Farrauto, Robert J.

Every student of chemistry, material science, and chemical engineering should be schooled in catalysis and catalytic reactions. The reason is quite simple; most products produced in the chemical and petroleum industry utilize catalysts to enhance the rate of reaction and selectivity to desired products. Catalysts are also extensively used to minimize harmful byproduct pollutants in environmental applications. Enhanced reaction rates translate to higher production volumes at lower temperatures with smaller and less exotic materials of construction necessary. When a highly selective catalyst is used, large volumes of desired products are produced with virtually no undesirable byproducts. Gasoline, diesel, home heating oil, and aviation fuels owe their performance quality to catalytic processing used to upgrade crude oil.

The chemical exploitation of nickel phytoextraction: an environmental, ecologic and economic opportunity for New Caledonia.

PubMed

Losfeld, Guillaume; Escande, Vincent; Jaffré, Tanguy; L'Huillier, Laurent; Grison, Claude

2012-10-01

Herein, we explore the outlines of an innovative method based on the chemical recovery of metal-rich biomass produced in phytoextraction technologies. Taking advantage of the adaptive capacity of some New Caledonian plants to hyperaccumulate Ni(2+) cations in their aerial parts, this technique is based on the direct use of metals derived from plants as "Lewis acid" catalysts in organic chemistry. Metallic cations contained in New Caledonian nickel hyperaccumulators are recovered through a simple cost-effective process and serve the preparation of heterogeneous catalysts used in synthetic transformations allowing access to molecules with high added-value. The design of all processes is in line with the principles of green chemistry; it is adapted to the new economic constraints; it offers a new relevant outlet for metal-rich biomass; and it represents an alternative to non-renewable mineral materials. Copyright © 2012 Elsevier Ltd. All rights reserved.

Regeneration of glass nanofluidic chips through a multiple-step sequential thermochemical decomposition process at high temperatures.

PubMed

Xu, Yan; Wu, Qian; Shimatani, Yuji; Yamaguchi, Koji

2015-10-07

Due to the lack of regeneration methods, the reusability of nanofluidic chips is a significant technical challenge impeding the efficient and economic promotion of both fundamental research and practical applications on nanofluidics. Herein, a simple method for the total regeneration of glass nanofluidic chips was described. The method consists of sequential thermal treatment with six well-designed steps, which correspond to four sequential thermal and thermochemical decomposition processes, namely, dehydration, high-temperature redox chemical reaction, high-temperature gasification, and cooling. The method enabled the total regeneration of typical 'dead' glass nanofluidic chips by eliminating physically clogged nanoparticles in the nanochannels, removing chemically reacted organic matter on the glass surface and regenerating permanent functional surfaces of dissimilar materials localized in the nanochannels. The method provides a technical solution to significantly improve the reusability of glass nanofluidic chips and will be useful for the promotion and acceleration of research and applications on nanofluidics.

Interfacially enhancement of PBO/epoxy composites by grafting MWCNTs onto PBO surface through melamine as molecular bridge

NASA Astrophysics Data System (ADS)

Lv, Junwei; Wang, Bin; Ma, Qi; Wang, Wenjing; Xiang, Dong; Li, Mengyao; Zeng, Lan; Li, Hui; Li, Yuntao; Zhao, Chunxia

2018-06-01

Melamine and multi-walled carbon nanotubes (MWCNTs) were grafted onto Poly-p-phenylene benzobisoxazole (PBO) fiber surface effectively via layer-by-layer method. Both of them have been chemically bonded as fourier transform infrared spectroscopy (FTIR) confirmed. Grafting melamine overcame the inertness of PBO surface. Ammoniation was processed on PBO surface through grafting melamine so that the MWCNTs could be grafted onto PBO surface. Scanning electron microscopy (SEM) images indicated that melamine used as molecular bridge could increase MWCNTs’ quantity on PBO surface. X-ray photoelectron spectroscopy (XPS) results revealed the variation of chemical composition of PBO surface. Test of interfacial shear strength (IFSS) and tensile strength indicated the great mechanical properties of modified PBO fibers when combining with epoxy resin. Furthermore, whole reaction was processed under a simple condition. Results in this research also promised a potential method to modify PBO surface.

Thermodynamics of information processing based on enzyme kinetics: An exactly solvable model of an information pump.

PubMed

Cao, Yuansheng; Gong, Zongping; Quan, H T

2015-06-01

Motivated by the recent proposed models of the information engine [Proc. Natl. Acad. Sci. USA 109, 11641 (2012)] and the information refrigerator [Phys. Rev. Lett. 111, 030602 (2013)], we propose a minimal model of the information pump and the information eraser based on enzyme kinetics. This device can either pump molecules against the chemical potential gradient by consuming the information to be encoded in the bit stream or (partially) erase the information initially encoded in the bit stream by consuming the Gibbs free energy. The dynamics of this model is solved exactly, and the "phase diagram" of the operation regimes is determined. The efficiency and the power of the information machine is analyzed. The validity of the second law of thermodynamics within our model is clarified. Our model offers a simple paradigm for the investigating of the thermodynamics of information processing involving the chemical potential in small systems.

Interactions of Kraft lignin and wheat gluten during biomaterial processing: evidence for the role of phenolic groups.

PubMed

Kaewtatip, Kaewta; Menut, Paul; Auvergne, Remi; Tanrattanakul, Varaporn; Morel, Marie-Helene; Guilbert, Stephane

2010-04-14

The chemical interactions between Kraft lignin and wheat gluten under processing conditions were investigated by determining the extent of the protein network formation. To clarify the role of different chemical functions found in lignin, the effect of Kraft lignin was compared with that of an esterified lignin, in which hydroxyl groups had been suppressed by esterification, and with a series of simple aromatics and phenolic structures with different functionalities (conjugated double bonds, hydroxyl, carboxylic acid, and aldehyde). The protein solubility was determined by using the Kjeldahl method. The role of the hydroxyl function was assessed by the significantly lower effect of esterified lignin. The importance of the phenolic radical scavenging structure is evidenced by the effect of guaiacol, which results in a behavior similar to that of the Kraft lignin. In addition, the significant effect of conjugated double bonds on gluten reactivity, through nucleophilic addition, was demonstrated.

Color and chemistry on Triton

NASA Technical Reports Server (NTRS)

Thompson, W. Reid; Sagan, Carl

1990-01-01

The surface of Triton is very bright but shows subtle yellow to peach hues which probably arise from the production of colored organic compounds from CH4 + N2 and other simple species. In order to investigate possible relationships between chemical processes and the observed surface distribution of chromophores, the surface units are classified according to color/albedo properties, the rates of production of organic chromophores by the action of ultraviolet light and high-energy charged particles is estimated, and rates, spectral properties, and expected seasonal redistribution processes are compared to suggest possible origins of the colors seen on Triton's surface.

An Easy to Manufacture Micro Gas Preconcentrator for Chemical Sensing Applications.

PubMed

McCartney, Mitchell M; Zrodnikov, Yuriy; Fung, Alexander G; LeVasseur, Michael K; Pedersen, Josephine M; Zamuruyev, Konstantin O; Aksenov, Alexander A; Kenyon, Nicholas J; Davis, Cristina E

2017-08-25

We have developed a simple-to-manufacture microfabricated gas preconcentrator for MEMS-based chemical sensing applications. Cavities and microfluidic channels were created using a wet etch process with hydrofluoric acid, portions of which can be performed outside of a cleanroom, instead of the more common deep reactive ion etch process. The integrated heater and resistance temperature detectors (RTDs) were created with a photolithography-free technique enabled by laser etching. With only 28 V DC (0.1 A), a maximum heating rate of 17.6 °C/s was observed. Adsorption and desorption flow parameters were optimized to be 90 SCCM and 25 SCCM, respectively, for a multicomponent gas mixture. Under testing conditions using Tenax TA sorbent, the device was capable of measuring analytes down to 22 ppb with only a 2 min sample loading time using a gas chromatograph with a flame ionization detector. Two separate devices were compared by measuring the same chemical mixture; both devices yielded similar peak areas and widths (fwhm: 0.032-0.033 min), suggesting reproducibility between devices.

Direct fabrication of 3D graphene on nanoporous anodic alumina by plasma-enhanced chemical vapor deposition

PubMed Central

Zhan, Hualin; Garrett, David J.; Apollo, Nicholas V.; Ganesan, Kumaravelu; Lau, Desmond; Prawer, Steven; Cervenka, Jiri

2016-01-01

High surface area electrode materials are of interest for a wide range of potential applications such as super-capacitors and electrochemical cells. This paper describes a fabrication method of three-dimensional (3D) graphene conformally coated on nanoporous insulating substrate with uniform nanopore size. 3D graphene films were formed by controlled graphitization of diamond-like amorphous carbon precursor films, deposited by plasma-enhanced chemical vapour deposition (PECVD). Plasma-assisted graphitization was found to produce better quality graphene than a simple thermal graphitization process. The resulting 3D graphene/amorphous carbon/alumina structure has a very high surface area, good electrical conductivity and exhibits excellent chemically stability, providing a good material platform for electrochemical applications. Consequently very large electrochemical capacitance values, as high as 2.1 mF for a sample of 10 mm3, were achieved. The electrochemical capacitance of the material exhibits a dependence on bias voltage, a phenomenon observed by other groups when studying graphene quantum capacitance. The plasma-assisted graphitization, which dominates the graphitization process, is analyzed and discussed in detail. PMID:26805546

Electrochemical preparation of poly(methylene blue)/graphene nanocomposite thin films

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

Erçarıkcı, Elif; Dağcı, Kader; Topçu, Ezgi

2014-07-01

Highlights: • Poly(MB)/graphene thin films are prepared by a simple electrochemical approach. • Graphene layers in the film show a broad band in visible region of absorbance spectra. • Morphology of composite films indicates both disordered and ordered regions. • XRD reveals that nanocomposite films include rGO layers after electropolymerization process. • Chemically prepared graphene is better than electrochemically prepared graphene for electrooxidation of nitrite. - Abstract: Poly(methylene blue)/graphene nanocomposite thin films were prepared by electropolymerization of methylene blue in the presence of graphene which have been synthesized by two different methods of a chemical oxidation process and an electrochemicalmore » approach. Synthesized nanocomposite thin films were characterized by using cyclic voltammetry, UV–vis. absorption spectroscopy, powder X-ray diffraction, and scanning tunneling microscopy techniques. Electrocatalytical properties of prepared poly(methylene blue)/graphene nanocomposite films were compared toward electrochemical oxidation of nitrite. Under optimized conditions, electrocatalytical effect of nanocomposite films of chemically prepared graphene through electrochemical oxidation of nitrite was better than that of electrochemically prepared graphene.« less

Direct fabrication of 3D graphene on nanoporous anodic alumina by plasma-enhanced chemical vapor deposition.

PubMed

Zhan, Hualin; Garrett, David J; Apollo, Nicholas V; Ganesan, Kumaravelu; Lau, Desmond; Prawer, Steven; Cervenka, Jiri

2016-01-25

High surface area electrode materials are of interest for a wide range of potential applications such as super-capacitors and electrochemical cells. This paper describes a fabrication method of three-dimensional (3D) graphene conformally coated on nanoporous insulating substrate with uniform nanopore size. 3D graphene films were formed by controlled graphitization of diamond-like amorphous carbon precursor films, deposited by plasma-enhanced chemical vapour deposition (PECVD). Plasma-assisted graphitization was found to produce better quality graphene than a simple thermal graphitization process. The resulting 3D graphene/amorphous carbon/alumina structure has a very high surface area, good electrical conductivity and exhibits excellent chemically stability, providing a good material platform for electrochemical applications. Consequently very large electrochemical capacitance values, as high as 2.1 mF for a sample of 10 mm(3), were achieved. The electrochemical capacitance of the material exhibits a dependence on bias voltage, a phenomenon observed by other groups when studying graphene quantum capacitance. The plasma-assisted graphitization, which dominates the graphitization process, is analyzed and discussed in detail.

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

Ferrada, J.J.; Osborne-Lee, I.W.; Grizzaffi, P.A.

Expert systems are known to be useful in capturing expertise and applying knowledge to chemical engineering problems such as diagnosis, process control, process simulation, and process advisory. However, expert system applications are traditionally limited to knowledge domains that are heuristic and involve only simple mathematics. Neural networks, on the other hand, represent an emerging technology capable of rapid recognition of patterned behavior without regard to mathematical complexity. Although useful in problem identification, neural networks are not very efficient in providing in-depth solutions and typically do not promote full understanding of the problem or the reasoning behind its solutions. Hence, applicationsmore » of neural networks have certain limitations. This paper explores the potential for expanding the scope of chemical engineering areas where neural networks might be utilized by incorporating expert systems and neural networks into the same application, a process called hybridization. In addition, hybrid applications are compared with those using more traditional approaches, the results of the different applications are analyzed, and the feasibility of converting the preliminary prototypes described herein into useful final products is evaluated. 12 refs., 8 figs.« less

A Three-Dimensional Hydrodynamic Focusing Method for Polyplex Synthesis

PubMed Central

Lu, Mengqian; Ho, Yi-Ping; Grigsby, Christopher L.; Nawaz, Ahmad Ahsan; Leong, Kam W.; Huang, Tony Jun

2014-01-01

Successful intracellular delivery of nucleic acid therapeutics relies on multi-aspect optimization, one of which is formulation. While there has been ample innovation on chemical design of polymeric gene carriers, the same cannot be said for physical processing of polymer-DNA nanocomplexes (polyplexes). Conventional synthesis of polyplexes by bulk mixing depends on the operators’ experience. The poorly controlled bulk-mixing process may also lead to batch-to-batch variation and consequent irreproducibility. Here, we synthesize polyplexes by using a three-dimensional hydrodynamic focusing (3D-HF) technique in a single-layered, planar microfluidic device. Without any additional chemical treatment or post processing, the polyplexes prepared by the 3D-HF method show smaller size, slower aggregation rate, and higher transfection efficiency, while exhibiting reduced cytotoxicity compared to the ones synthesized by conventional bulk mixing. In addition, by introducing external acoustic perturbation, mixing can be further enhanced, leading to even smaller nanocomplexes. The 3D-HF method provides a simple and reproducible process for synthesizing high-quality polyplexes, addressing a critical barrier in the eventual translation of nucleic acid therapeutics. PMID:24341632

Simple and effective graphene laser processing for neuron patterning application

NASA Astrophysics Data System (ADS)

Lorenzoni, Matteo; Brandi, Fernando; Dante, Silvia; Giugni, Andrea; Torre, Bruno

2013-06-01

A straightforward fabrication technique to obtain patterned substrates promoting ordered neuron growth is presented. Chemical vapor deposition (CVD) single layer graphene (SLG) was machined by means of single pulse UV laser ablation technique at the lowest effective laser fluence in order to minimize laser damage effects. Patterned substrates were then coated with poly-D-lysine by means of a simple immersion in solution. Primary embryonic hippocampal neurons were cultured on our substrate, demonstrating an ordered interconnected neuron pattern mimicking the pattern design. Surprisingly, the functionalization is more effective on the SLG, resulting in notably higher alignment for neuron adhesion and growth. Therefore the proposed technique should be considered a valuable candidate to realize a new generation of highly specialized biosensors.

Simple and effective graphene laser processing for neuron patterning application

PubMed Central

Lorenzoni, Matteo; Brandi, Fernando; Dante, Silvia; Giugni, Andrea; Torre, Bruno

2013-01-01

A straightforward fabrication technique to obtain patterned substrates promoting ordered neuron growth is presented. Chemical vapor deposition (CVD) single layer graphene (SLG) was machined by means of single pulse UV laser ablation technique at the lowest effective laser fluence in order to minimize laser damage effects. Patterned substrates were then coated with poly-D-lysine by means of a simple immersion in solution. Primary embryonic hippocampal neurons were cultured on our substrate, demonstrating an ordered interconnected neuron pattern mimicking the pattern design. Surprisingly, the functionalization is more effective on the SLG, resulting in notably higher alignment for neuron adhesion and growth. Therefore the proposed technique should be considered a valuable candidate to realize a new generation of highly specialized biosensors. PMID:23739674

Simple model of inhibition of chain-branching combustion processes

NASA Astrophysics Data System (ADS)

Babushok, Valeri I.; Gubernov, Vladimir V.; Minaev, Sergei S.; Miroshnichenko, Taisia P.

2017-11-01

A simple kinetic model has been suggested to describe the inhibition and extinction of flame propagation in reaction systems with chain-branching reactions typical for hydrocarbon systems. The model is based on the generalised model of the combustion process with chain-branching reaction combined with the one-stage reaction describing the thermal mode of flame propagation with the addition of inhibition reaction steps. Inhibitor addition suppresses the radical overshoot in flame and leads to the change of reaction mode from the chain-branching reaction to a thermal mode of flame propagation. With the increase of inhibitor the transition of chain-branching mode of reaction to the reaction with straight-chains (non-branching chain reaction) is observed. The inhibition part of the model includes a block of three reactions to describe the influence of the inhibitor. The heat losses are incorporated into the model via Newton cooling. The flame extinction is the result of the decreased heat release of inhibited reaction processes and the suppression of radical overshoot with the further decrease of the reaction rate due to the temperature decrease and mixture dilution. A comparison of the results of modelling laminar premixed methane/air flames inhibited by potassium bicarbonate (gas phase model, detailed kinetic model) with the results obtained using the suggested simple model is presented. The calculations with the detailed kinetic model demonstrate the following modes of combustion process: (1) flame propagation with chain-branching reaction (with radical overshoot, inhibitor addition decreases the radical overshoot down to the equilibrium level); (2) saturation of chemical influence of inhibitor, and (3) transition to thermal mode of flame propagation (non-branching chain mode of reaction). The suggested simple kinetic model qualitatively reproduces the modes of flame propagation with the addition of the inhibitor observed using detailed kinetic models.

Preparing "Chameleon Balls" from Natural Plants: Simple Handmade pH Indicator and Teaching Material for Chemical Education

NASA Astrophysics Data System (ADS)

1996-05-01

Some of the structures in Figure 1 from "Preparing "Chameleon Balls" from Natural Plants: Simple Handmade pH Indicator and Teaching Material for Chemical Education"[Kanda, N.; Asano, T.; Itoh, T.; Onoda, M. J. Chem. Educ. 1995, 72, 1131] were incorrect due to a staff error. The correct figure appears below.

Solution plasma applications for the synthesis/modification of inorganic nanostructured materials and the treatment of natural polymers

NASA Astrophysics Data System (ADS)

Watthanaphanit, Anyarat; Saito, Nagahiro

2018-01-01

Reducing the use of toxic chemicals, production steps, and time consumption are important concerns for researchers and process engineers to contribute in the quest for an efficient process in any production. If an equipment setup is simple, the process additionally becomes more profitable. Combination of the mentioned requirements has opened up various applications of the solution plasma process (SPP) — a physical means of generating plasma through an electrical discharge in a liquid medium at atmospheric pressure and room temperature. This review shows the progress of scientific research on the applications of the SPP for the synthesis/modification of inorganic nanostructured materials and the treatment of natural polymers. Development achieved in each application is demonstrated.

Chemical Waste Management and Disposal.

ERIC Educational Resources Information Center

Armour, Margaret-Ann

1988-01-01

Describes simple, efficient techniques for treating hazardous chemicals so that nontoxic and nonhazardous residues are formed. Discusses general rules for management of waste chemicals from school laboratories and general techniques for the disposal of waste or surplus chemicals. Lists specific disposal reactions. (CW)

Towards constructing multi-bit binary adder based on Belousov-Zhabotinsky reaction

NASA Astrophysics Data System (ADS)

Zhang, Guo-Mao; Wong, Ieong; Chou, Meng-Ta; Zhao, Xin

2012-04-01

It has been proposed that the spatial excitable media can perform a wide range of computational operations, from image processing, to path planning, to logical and arithmetic computations. The realizations in the field of chemical logical and arithmetic computations are mainly concerned with single simple logical functions in experiments. In this study, based on Belousov-Zhabotinsky reaction, we performed simulations toward the realization of a more complex operation, the binary adder. Combining with some of the existing functional structures that have been verified experimentally, we designed a planar geometrical binary adder chemical device. Through numerical simulations, we first demonstrated that the device can implement the function of a single-bit full binary adder. Then we show that the binary adder units can be further extended in plane, and coupled together to realize a two-bit, or even multi-bit binary adder. The realization of chemical adders can guide the constructions of other sophisticated arithmetic functions, ultimately leading to the implementation of chemical computer and other intelligent systems.

Adjusted active carbon fibers for solid phase microextraction.

PubMed

Jia, Jinping; Feng, Xue; Fang, Nenghu; Wang, Yalin; Chen, Hongjin; Dan, Wu

2002-01-01

Adjusted active carbon fiber (AACF) was evaluated for Solid Phase Microextraction (SPME), which showed higher sensitivity and stability than traditional coating fibers. The characteristics of AACF result from two different activation methods (chemical and water vapor) and from variable activation conditions (temperature and time). The fiber treated by water vapor appears to have stronger affinity to polar compounds, while that treated by chemical activation appears to have stronger affinity to non-polar compounds. For different target compounds ranged from non-polar to polar, AACF design could be effective with specific selections and sensitivities. As applications in this paper, benzoic acid in soy sauce was extracted onto water-vapor-activated-fiber, then analyzed using gas chromatograph-mass spectrometer (GC-MS). The chemical-activated-fiber SPME was applied in the analysis of benzene series compounds (BTEX) in water matrix. Compared with standard carbon disulfide extraction method, chemical-activated-fiber SPME is more convenient due to its simple process and turns to be of relative low detection limits.

Effect of mechanical activation on structure changes and reactivity in further chemical modification of lignin.

PubMed

Zhao, Xiaohong; Zhang, Yanjuan; Hu, Huayu; Huang, Zuqiang; Yang, Mei; Chen, Dong; Huang, Kai; Huang, Aimin; Qin, Xingzhen; Feng, Zhenfei

2016-10-01

Lignin was treated by mechanical activation (MA) in a customized stirring ball mill, and the structure and reactivity in further esterification were studied. The chemical structure and morphology of MA-treated lignin and the esterified products were analyzed by chemical analysis combined with UV/vis spectrometer, FTIR,NMR, SEM and particle size analyzer. The results showed that MA contributed to the increase of aliphatic hydroxyl, phenolic hydroxyl, carbonyl and carboxyl groups but the decrease of methoxyl groups. Moreover, MA led to the decrease of particle size and the increase of specific surface area and roughness of surface in lignin. The reactivity of lignin was enhanced significantly for the increase of hydroxyl content and the improvement of mass transfer in chemical reaction caused by the changes of molecular structure and morphological structure. The process of MA is green and simple, and is an effective method for enhancing the reactivity of lignin. Copyright © 2016 Elsevier B.V. All rights reserved.

Large-Diameter InGaAs/AlGaAs Vertical-Cavity Surface-Emitting Lasers with Low Threshold Current Density Fabricated Using a Simple Chemical Etch Process

DTIC Science & Technology

1994-03-01

Epitaxial structure of vertical cavity surface - emitting laser ( VCSEL ...diameter (75 tum < d< 150 prm) vertical - cavity surface - emitting lasers fabricated from an epitaxial structure containing a single In0 .2Ga 8.,As quantum...development of vertical - cavity surface - emitting lasers ( VCSELs ) [1] has enabled III-V semiconductor technology to be applied to cer- tain optical

In Vitro Corrosion and Cytocompatibility of ZK60 Magnesium Alloy Coated with Hydroxyapatite by a Simple Chemical Conversion Process for Orthopedic Applications

PubMed Central

Wang, Bing; Huang, Ping; Ou, Caiwen; Li, Kaikai; Yan, Biao; Lu, Wei

2013-01-01

Magnesium and its alloys—a new class of degradable metallic biomaterials—are being increasingly investigated as a promising alternative for medical implant and device applications due to their advantageous mechanical and biological properties. However, the high corrosion rate in physiological environments prevents the clinical application of Mg-based materials. Therefore, the objective of this study was to develop a hydroxyapatite (HA) coating on ZK60 magnesium alloy substrates to mediate the rapid degradation of Mg while improving its cytocompatibility for orthopedic applications. A simple chemical conversion process was applied to prepare HA coating on ZK60 magnesium alloy. Surface morphology, elemental compositions, and crystal structures were characterized using scanning electron microscopy, energy dispersive spectroscopy, and X-ray diffraction, respectively. The corrosion properties of samples were investigated by immersion test and electrochemical test. Murine fibroblast L-929 cells were harvested and cultured with coated and non-coated ZK60 samples to determine cytocompatibility. The degradation results suggested that the HA coatings decreased the degradation of ZK60 alloy. No significant deterioration in compression strength was observed for all the uncoated and coated samples after 2 and 4 weeks’ immersion in simulated body fluid (SBF). Cytotoxicity test indicated that the coatings, especially HA coating, improved cytocompatibility of ZK60 alloy for L929 cells. PMID:24300096

A new route to the stable capture and final immobilization of radioactive cesium.

PubMed

Yang, Jae Hwan; Han, Ahreum; Yoon, Joo Young; Park, Hwan-Seo; Cho, Yung-Zun

2017-10-05

Radioactive Cs released from damaged fuel materials in the event of nuclear accidents must be controlled to prevent the spreading of hazardous Cs into the environment. This study describes a simple and novel process to safely manage Cs gas by capturing it within ceramic filters and converting it into monolithic waste forms. The results of Cs trapping tests showed that CsAlSiO 4 was a reaction product of gas-solid reactions between Cs gas and our ceramic filters. Monolithic waste forms were readily prepared from the Cs-trapping filters by the addition of a glass frit followed by thermal treatment at 1000°C for 3h. Major findings revealed that the Cs-trapping filters could be added up to 50wt% to form durable monoliths. In 30-50wt% of waste fraction, CsAlSiO 4 was completely converted to pollucite (CsAlSi 2 O 6 ), which is a potential phase for radioactive Cs due to its excellent thermal and chemical stability. A static leaching test for 28 d confirmed the excellent chemical resistance of the pollucite structure, with a Cs leaching rate as low as 7.21×10 -5 gm -2 /d. This simple scheme of waste processing promises a new route for radioactive Cs immobilization by synthesizing pollucite-based monoliths. Copyright © 2017 Elsevier B.V. All rights reserved.

Integrating Thermodynamic Models in Geodynamic Simulations: The Example of the Community Software ASPECT

NASA Astrophysics Data System (ADS)

Dannberg, J.; Heister, T.; Grove, R. R.; Gassmoeller, R.; Spiegelman, M. W.; Bangerth, W.

2017-12-01

Earth's surface shows many features whose genesis can only be understood through the interplay of geodynamic and thermodynamic models. This is particularly important in the context of melt generation and transport: Mantle convection determines the distribution of temperature and chemical composition, the melting process itself is then controlled by the thermodynamic relations and in turn influences the properties and the transport of melt. Here, we present our extension of the community geodynamics code ASPECT, which solves the equations of coupled magma/mantle dynamics, and allows to integrate different parametrizations of reactions and phase transitions: They may alternatively be implemented as simple analytical expressions, look-up tables, or computed by a thermodynamics software. As ASPECT uses a variety of numerical methods and solvers, this also gives us the opportunity to compare different approaches of modelling the melting process. In particular, we will elaborate on the spatial and temporal resolution that is required to accurately model phase transitions, and show the potential of adaptive mesh refinement when applied to melt generation and transport. We will assess the advantages and disadvantages of iterating between fluid dynamics and chemical reactions derived from thermodynamic models within each time step, or decoupling them, allowing for different time step sizes. Beyond that, we will expand on the functionality required for an interface between computational thermodynamics and fluid dynamics models from the geodynamics side. Finally, using a simple example of melting of a two-phase, two-component system, we compare different time-stepping and solver schemes in terms of accuracy and efficiency, in dependence of the time scales of fluid flow and chemical reactions relative to each other. Our software provides a framework to integrate thermodynamic models in high resolution, 3d simulations of coupled magma/mantle dynamics, and can be used as a tool to study links between physical processes and geochemical signals in the Earth.

Analyzing the substitution effect on the CoMFA results within the framework of density functional theory (DFT).

PubMed

Morales-Bayuelo, Alejandro

2016-07-01

Though QSAR was originally developed in the context of physical organic chemistry, it has been applied very extensively to chemicals (drugs) which act on biological systems, in this idea one of the most important QSAR methods is the 3D QSAR model. However, due to the complexity of understanding the results it is necessary to postulate new methodologies to highlight their physical-chemical meaning. In this sense, this work postulates new insights to understand the CoMFA results using molecular quantum similarity and chemical reactivity descriptors within the framework of density functional theory. To obtain these insights a simple theoretical scheme involving quantum similarity (overlap, coulomb operators, their euclidean distances) and chemical reactivity descriptors such as chemical potential (μ), hardness (ɳ), softness (S), electrophilicity (ω), and the Fukui functions, was used to understand the substitution effect. In this sense, this methodology can be applied to analyze the biological activity and the stabilization process in the non-covalent interactions on a particular molecular set taking a reference compound.

Cyrano "Nose" The Smell of Success

NASA Technical Reports Server (NTRS)

2001-01-01

Cyrano Sciences, Inc. has commercialized a simple, accurate, non- invasive tool that enables "machines to smell". The Cyranose 320 is used for quality control purposes in the food and chemical industries. Using a sensor array and onboard pattern recognition algorithms, the lightweight, portable device works by exposing an array of polymer composite sensors to the chemical components in a vapor. When the sensors come in contact with the vapor, the polymer expands like a sponge, changing the resistance of the composites. The change in resistance is measured, and from that measurement, the presence of a pre-trained substance is determined with a quick and accurate diagnosis. This real-time, portable device enables food companies to spot test raw materials for batch-to-batch consistency, spoilage, or contamination. The Cyranose 320 is also used by chemical and petrochemical companies for quick assessment of the chemical status associated with various industrial processes. Profiling a chemical environment in a hazardous materials situation allows emergency crews to accurately select fire retardants, containment strategies, and protective gear. Future applications for the Cyranose 320 are fast growing and other uses of this technology are on the horizon.

Oxidation mechanism of diethyl ether: a complex process for a simple molecule.

PubMed

Di Tommaso, Stefania; Rotureau, Patricia; Crescenzi, Orlando; Adamo, Carlo

2011-08-28

A large number of organic compounds, such as ethers, spontaneously form unstable peroxides through a self-propagating process of autoxidation (peroxidation). Although the hazards of organic peroxides are well known, the oxidation mechanisms of peroxidizable compounds like ethers reported in the literature are vague and often based on old experiments, carried out in very different conditions (e.g. atmospheric, combustion). With the aim to (partially) fill the lack of information, in this paper we present an extensive Density Functional Theory (DFT) study of autoxidation reaction of diethyl ether (DEE), a chemical that is largely used as solvent in laboratories, and which is considered to be responsible for various accidents. The aim of the work is to investigate the most probable reaction paths involved in the autoxidation process and to identify all potential hazardous intermediates, such as peroxides. Beyond the determination of a complex oxidation mechanism for such a simple molecule, our results suggest that the two main reaction channels open in solution are the direct decomposition (β-scission) of DEE radical issued of the initiation step and the isomerization of the peroxy radical formed upon oxygen attack (DEEOO˙). A simple kinetic evaluation of these two competing reaction channels hints that radical isomerization may play an unexpectedly important role in the global DEE oxidation process. Finally industrial hazards could be related to the hydroperoxide formation and accumulation during the chain propagation step. The resulting information may contribute to the understanding of the accidental risks associated with the use of diethyl ether.

Chemical Instrumentation for the Visually Handicapped.

ERIC Educational Resources Information Center

Anderson, James L.

1982-01-01

Describes a simple, relatively inexpensive, and easily implemented approach for introducing visually handicapped students to chemical instrumentation via experiments on operational amplifiers as examples of some of the electronic building blocks of chemical instrumentation. The approach is applicable to other chemical instruments having electrical…

In vitro perturbations of targets in cancer hallmark processes predict rodent chemical carcinogenesis.

PubMed

Kleinstreuer, Nicole C; Dix, David J; Houck, Keith A; Kavlock, Robert J; Knudsen, Thomas B; Martin, Matthew T; Paul, Katie B; Reif, David M; Crofton, Kevin M; Hamilton, Kerry; Hunter, Ronald; Shah, Imran; Judson, Richard S

2013-01-01

Thousands of untested chemicals in the environment require efficient characterization of carcinogenic potential in humans. A proposed solution is rapid testing of chemicals using in vitro high-throughput screening (HTS) assays for targets in pathways linked to disease processes to build models for priority setting and further testing. We describe a model for predicting rodent carcinogenicity based on HTS data from 292 chemicals tested in 672 assays mapping to 455 genes. All data come from the EPA ToxCast project. The model was trained on a subset of 232 chemicals with in vivo rodent carcinogenicity data in the Toxicity Reference Database (ToxRefDB). Individual HTS assays strongly associated with rodent cancers in ToxRefDB were linked to genes, pathways, and hallmark processes documented to be involved in tumor biology and cancer progression. Rodent liver cancer endpoints were linked to well-documented pathways such as peroxisome proliferator-activated receptor signaling and TP53 and novel targets such as PDE5A and PLAUR. Cancer hallmark genes associated with rodent thyroid tumors were found to be linked to human thyroid tumors and autoimmune thyroid disease. A model was developed in which these genes/pathways function as hypothetical enhancers or promoters of rat thyroid tumors, acting secondary to the key initiating event of thyroid hormone disruption. A simple scoring function was generated to identify chemicals with significant in vitro evidence that was predictive of in vivo carcinogenicity in different rat tissues and organs. This scoring function was applied to an external test set of 33 compounds with carcinogenicity classifications from the EPA's Office of Pesticide Programs and successfully (p = 0.024) differentiated between chemicals classified as "possible"/"probable"/"likely" carcinogens and those designated as "not likely" or with "evidence of noncarcinogenicity." This model represents a chemical carcinogenicity prioritization tool supporting targeted testing and functional validation of cancer pathways.

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

Rajamani, S.

The leather industry is an important export-oriented industry in India, with more than 3,000 tanneries located in different clusters. Sodium sulfide, a toxic chemical, is used in large quantities to remove hair and excess flesh from hides and skins. Most of the sodium sulfide used in the process is discharged as waste in the effluent, which causes serious environmental problems. Reduction of sulfide in the effluent is generally achieved by means of chemicals in the pretreatment system, which involves aerobic mixing using large amounts of chemicals and high energy, and generating large volumes of sludge. A simple biotechnological system thatmore » uses the residual biosludge from the secondary settling tank was developed, and the commercial-scale application established that more than 90% of the sulfide could be reduced in the primary treatment system. In addition to the reduction of sulfide, foul smells, BOD and COD are reduced to a considerable level. 3 refs., 2 figs., 1 tab.« less

Chemical weathering of layered Ni-rich oxide electrode materials: Evidence for cation exchange

DOE PAGES

Shkrob, Ilya A.; Gilbert, James A.; Phillips, Patrick J.; ...

2017-05-13

Lithiated ternary oxides containing nickel, cobalt, and manganese are intercalation compounds that are used as positive electrodes in high-energy lithium-ion batteries. These materials undergo compositional changes that adversely affect their cycling performance when they are stored in humid air or exposed to moisture. There is a new urgency to better understanding of these “weathering” processes as manufacturing moves towards a more environmentally benign aqueous processing of the positive electrode. Delithiation in the oxide subsurface regions and the formation of lithium salts (such as hydroxides and carbonates) coating the surface, have been suggested as chemical drivers for these processes, but themore » mechanistic details remain poorly known. The redox reactions which follow oxide delithiation are believed to cause all of the observed transformations. In this article we suggest another possibility: namely, the proton – lithium exchange. We argue that this hypothesis provides a simple, comprehensive rationale for our observations from X-ray diffraction, X-ray photoelectron spectroscopy, scanning transmission electron microscopy, and electrochemical measurements. These observations include contraction of the c-axis (unit cell) lattice parameter, strain in the crystalline oxide bulk, directionality of the chemical damage, formation of amorphous surface films, and the partial recovery of capacity loss by electrochemical relithiation of the material. Lastly, these effects need to be mitigated before aqueous processing of the positive electrode can find widespread adoption during cell manufacturing.« less

Three Dimensional (3D) Printing: A Straightforward, User-Friendly Protocol to Convert Virtual Chemical Models to Real-Life Objects

ERIC Educational Resources Information Center

Rossi, Sergio; Benaglia, Maurizio; Brenna, Davide; Porta, Riccardo; Orlandi, Manuel

2015-01-01

A simple procedure to convert protein data bank files (.pdb) into a stereolithography file (.stl) using VMD software (Virtual Molecular Dynamic) is reported. This tutorial allows generating, with a very simple protocol, three-dimensional customized structures that can be printed by a low-cost 3D-printer, and used for teaching chemical education…

A detailed evaluation of heating processes in the middle atmosphere

NASA Technical Reports Server (NTRS)

Mlynczak, Martin; Solomon, Susan

1994-01-01

A fundamental problem in the study of the terrestrial middle atmosphere is to calculate accurately the local heating due to the absorption of solar radiation. Knowledge of the heat budget is essential to understanding the atmospheric thermal structure, atmospheric motions, atmospheric chemistry, and their coupling. The evaluation of heating rates is complicated (especially above the stratopause) by the fact that the heating is not a simple one-step process. That is, the absorbed solar energy does not all immediately appear as heat. Rather, substantial portions of the incident energy may appear as internal energy of excited photolysis products (e.g., O(1D) or O2(1 delta)) or as chemical potential energy of product species such as atomic oxygen. The ultimate disposition of the internal and chemical energy possessed by the photolysis products determines the efficiency and thus the rate at which the middle atmosphere is heated. In studies of the heat budget, it is also vitally important to consider transport of long lived chemical species such as atomic oxygen above approximately 80 km. In such cases, the chemical potential energy may be transported great distances (horizontally or vertically) before undergoing a reaction to release the heat. Atomic oxygen influences the heating not only by reactions with itself and with O2 but also by reactions with odd-hydrogen species, especially those involving OH (Mlynczak and Solomon, 1991a). Consequently, absorbed solar energy may finally by converted to heat a long time after and at a location far from the original deposition. The purpose of this paper is to examine the solar and chemical heating processes and to present parameterizations for the heating efficiencies readily applicable for use in numerical models and heat budget studies. In the next two sections the processes relevant to the heating efficiencies for ozone and molecular oxygen will be reviewed. In section 4 the processes for the exothermic reactions will be reviewed and parameterizations for the heating efficiencies for both the solar and chemical processes will be presented in Section 5.

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

PubMed

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

2018-01-10

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

A Simple and Direct LC-MS Method for Determination of Genotoxic Impurity Hydroxylamine in Pharmaceutical compounds.

PubMed

Kumar, Thangarathinam; Ramya, Mohandass; Srinivasan, Viswanathan; Xavier, N

2017-08-01

Hydroxylamine is a known genotoxic impurity compound that needs to be controlled down to ppm level in pharmaceutical processes. It is difficult to detect using conventional analytical techniques due to its physio-chemical properties like lack of chromophore, low molecular weight, absence of carbon atom and high polarity. In addition to that, analysis of the pharmaceutical samples encounters considerable obstruction from matrix components that greatly overshadow the response of hydroxylamine. This study describes a simple, sensitive and direct Liquid Chromatographic-Mass Spectrometric method (LC-MS) for detection of hydroxylamine in pharmaceutical compounds. The LC-MS method was detected up to 0.008 ppm of hydroxylamine with S/N > 3.0 and quantified up to 0.025 ppm of hydroxylamine with S/N ratio >10.0. This validated method can be applied as a generic method to detect the hydroxylamine for pharmaceutical process control and drug substance release. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Significance of solvated electrons (e(aq)-) as promoters of life on earth.

PubMed

Getoff, Nikola

2014-01-01

Based on the present state of knowledge a new hypothesis concerning the origin of life on Earth is presented, and emphasizes the particular significance of solvated electrons (e(aq)(-)). Solvated electrons are produced in seawater, mainly by (40)K radiation and in atmospheric moisture by VUV light, electrical discharges and cosmic ray. Solvated electrons are involved in primary chemical processes and in biological processes. The conversion of aqueous CO2 and CO into simple organic substances, the generation of ammonia from N2 and water, the formation of amines, amino acids and simple proteins under the action of e(aq)(-) has been experimentally proven. Furthermore, it is supposed that the generation of the primitive cell and equilibria of primitive enzymes are also realized due to the strong reducing property of e(aq)(-). The presented hypothesis is mainly founded on recently obtained experimental results. The involvement of e(aq)(-) in such mechanisms, as well as their action as an initiator of life is also briefly discussed.

The use of selective adsorbents in capillary electrophoresis-mass spectrometry for analyte preconcentration and microreactions: a powerful three-dimensional tool for multiple chemical and biological applications.

PubMed

Guzman, N A; Stubbs, R J

2001-10-01

Much attention has recently been directed to the development and application of online sample preconcentration and microreactions in capillary electrophoresis using selective adsorbents based on chemical or biological specificity. The basic principle involves two interacting chemical or biological systems with high selectivity and affinity for each other. These molecular interactions in nature usually involve noncovalent and reversible chemical processes. Properly bound to a solid support, an "affinity ligand" can selectively adsorb a "target analyte" found in a simple or complex mixture at a wide range of concentrations. As a result, the isolated analyte is enriched and highly purified. When this affinity technique, allowing noncovalent chemical interactions and biochemical reactions to occur, is coupled on-line to high-resolution capillary electrophoresis and mass spectrometry, a powerful tool of chemical and biological information is created. This paper describes the concept of biological recognition and affinity interaction on-line with high-resolution separation, the fabrication of an "analyte concentrator-microreactor", optimization conditions of adsorption and desorption, the coupling to mass spectrometry, and various applications of clinical and pharmaceutical interest.

Transition from Gaseous Compounds to Aerosols in Titan's Atmosphere

NASA Technical Reports Server (NTRS)

Lebonnois, Sebastien; Bakes, E. L. O.; McKay, Christopher P.; DeVincenzi, Donald (Technical Monitor)

2002-01-01

We investigate the chemical transition of simple molecules like C2H2 and HCN into aerosol particles in the context of Titan's atmosphere. Experiments that synthesize analogs (tholins) for these aerosols can help understand and constrain these polymerization mechanisms. Using information available from these experiments, we suggest chemical pathways that can link simple molecules to macromolecules, that will be the precursors to aerosol particles: polymers of acetylene and cyanoacetylene, polycyclic aromatics (PAHs), polymers of HCN and other nitriles, and polynes. Although our goal here is not to build a detailed kinetic model for this transition, we propose parameterizations to estimate the production rates of these macromolecules, their C/N and C/H ratios, and the loss of parent molecules (C2H2, HCN, HC3N and other nitriles, C6H6) from the gas phase to the haze. We use a 1-dimensional photochemical model of Titan's atmosphere to estimate the formation rate of precursors macromolecules. We find a production zone slightly lower than 200 km altitude with a total production rate of 4 x 10(exp -14) g/ sq cm s and a C/N approx. = 4. These results are compared with experimental data, and to microphysical models requirements. The Cassini/Huygens mission will bring a detailed picture of the haze distribution and properties, that will be a great challenge for our understanding of those chemical processes.

Fast degradation of dyes in water using manganese-oxide-coated diatomite for environmental remediation

NASA Astrophysics Data System (ADS)

Dang, Trung-Dung; Banerjee, Arghya Narayan; Tran, Quang-Tung; Roy, Sudipta

2016-11-01

By a simple wet-chemical procedure using a permanganate in the acidic medium, diatomite coated with amorphous manganese oxide nanoparticles was synthesized. The structural, microstructural and morphological characterizations of the as-synthesized catalysts confirmed the nanostructure of MnO2 and its stabilization on the support - diatomite. The highly efficient and rapid degradation of methylene blue and methyl orange over synthesized MnO2 coated Diatomite has been carried out. The results revealed considerably faster degradation of the dyes against the previously reported data. The proposed mechanism of the dye-degradation is considered to be a combinatorial effect of chemical, physicochemical and physical processes. Therefore, the fabricated catalysts have potential application in waste water treatment, and pollution degradation for environmental remediation.

Chemistry in protoplanetary disks

NASA Astrophysics Data System (ADS)

Semenov, D. A.

2012-01-01

In this lecture I discuss recent progress in the understanding of the chemical evolution of protoplanetary disks that resemble our Solar system during the first ten million years. At the verge of planet formation, strong variations of temperature, density, and radiation intensities in these disks lead to a layered chemical structure. In hot, dilute and heavily irradiated atmosphere only simple radicals, atoms, and atomic ions can survive, formed and destroyed by gas-phase processes. Beneath the atmosphere a partly UV-shielded, warm molecular layer is located, where high-energy radiation drives rich chemistry, both in the gas phase and on dust surfaces. In a cold, dense, dark disk midplane many molecules are frozen out, forming thick icy mantles where surface chemistry is active and where complex (organic) species are synthesized.

Time-resolved broadband cavity-enhanced absorption spectroscopy for chemical kinetics.

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

Sheps, Leonid; Chandler, David W.

Experimental measurements of elementary reaction rate coefficients and product branching ratios are essential to our understanding of many fundamentally important processes in Combustion Chemistry. However, such measurements are often impossible because of a lack of adequate detection techniques. Some of the largest gaps in our knowledge concern some of the most important radical species, because their short lifetimes and low steady-state concentrations make them particularly difficult to detect. To address this challenge, we propose a novel general detection method for gas-phase chemical kinetics: time-resolved broadband cavity-enhanced absorption spectroscopy (TR-BB-CEAS). This all-optical, non-intrusive, multiplexed method enables sensitive direct probing of transientmore » reaction intermediates in a simple, inexpensive, and robust experimental package.« less

Synthesis and characterization of graphene quantum dots-silver nanocomposites

NASA Astrophysics Data System (ADS)

Vandana, M.; Ashokkumar, S. P.; Vijeth, H.; Niranjana, M.; Yesappa, L.; Devendrappa, H.

2018-04-01

A facile microwave assisted hydrothermal method is used to synthesise glucose derived water soluble crystalline graphene quantum dots (GQDs) andcitrate reduction method was used to synthesized silver nanoparticles (SNPs). The formation of graphene quantum dots-silver nanocomposites (GSC) was synthesized through a simple refluxing process and characterised using Fourier Transform Infrared (FT-IR) to study the chemical interaction, Surface morphology using FESEM, Optical properties were studied using UV-Visible spectroscopy. The absorption band shows at 249, 306 and 447 nm confirms the formation of GQDs and GSC. The electrochemical performance of GSC tested to determine the oxidation/reduction processes by cyclic voltammetry and linear sweep voltammetry.

Favorable 2'-substitution in the loop region of a thrombin-binding DNA aptamer.

PubMed

Awachat, Ragini; Wagh, Atish A; Aher, Manisha; Fernandes, Moneesha; Kumar, Vaijayanti A

2018-06-01

Simple 2'-OMe-chemical modification in the loop region of the 15mer G-rich DNA sequence GGTTGGTGTGGTTGG is reported. The G-quadruplex structure of this thrombin-binding aptamer (TBA), is stabilized by single modifications (T → 2'-OMe-U), depending on the position of the modification. The structural stability also renders significantly increased inhibition of thrombin-induced fibrin polymerization, a process closely associated with blood-clotting. Copyright © 2018 Elsevier Ltd. All rights reserved.

Microspheres for the growth of silicon nanowires via vapor-liquid-solid mechanism

DOE PAGES

Gomez-Martinez, Arancha; Marquez, Francisco; Elizalde, Eduardo; ...

2014-01-01

Silicon nanowires have been synthesized by a simple process using a suitable support containing silica and carbon microspheres. Nanowires were grown by thermal chemical vapor deposition via a vapor-liquid-solid mechanism with only the substrate as silicon source. The curved surface of the microsized spheres allows arranging the gold catalyst as nanoparticles with appropriate dimensions to catalyze the growth of nanowires. Here, the resulting material is composed of the microspheres with the silicon nanowires attached on their surface.

Summing up the noise in gene networks

NASA Astrophysics Data System (ADS)

Paulsson, Johan

2004-01-01

Random fluctuations in genetic networks are inevitable as chemical reactions are probabilistic and many genes, RNAs and proteins are present in low numbers per cell. Such `noise' affects all life processes and has recently been measured using green fluorescent protein (GFP). Two studies show that negative feedback suppresses noise, and three others identify the sources of noise in gene expression. Here I critically analyse these studies and present a simple equation that unifies and extends both the mathematical and biological perspectives.

Structure and Characterization of Vertically Aligned Single-Walled Carbon Nanotube Bundles

DOE PAGES

Márquez, Francisco; López, Vicente; Morant, Carmen; ...

2010-01-01

Arrmore » ays of vertically aligned single-walled carbon nanotube bundles, SWCNTs, have been synthesized by simple alcohol catalytic chemical vapor deposition process, carried out at 800 ° C . The formed SWCNTs are organized in small groups perpendicularly aligned and attached to the substrate. These small bundles show a constant diameter of ca. 30 nm and are formed by the adhesion of no more than twenty individual SWCNTs perfectly aligned along their length.« less

Annual Electronics Manufacturing Seminar Processings (18th) Held in Ridgecrest, California on 23-24 February 1994

DTIC Science & Technology

1994-02-01

rework, repair, and maintenance of electronic hardware as well as the initial manufacture. Chemically, HF1 189 is simply citric acid (derived from citrus...fruit) in water. Citric acid is highly soluble in water which allows simple water washing of hardware after soldering totally eliminating the need for...of citric acid in water. PCA’s soldered with either wave or hand techniques presented no cleaning problems if they were cleaned within one-half hour of

Unimolecular decomposition reactions at low-pressure: A comparison of competitive methods

NASA Technical Reports Server (NTRS)

Adams, G. F.

1980-01-01

The lack of a simple rate coefficient expression to describe the pressure and temperature dependence hampers chemical modeling of flame systems. Recently developed simplified models to describe unimolecular processes include the calculation of rate constants for thermal unimolecular reactions and recombinations at the low pressure limit, at the high pressure limit and in the intermediate fall-off region. Comparison between two different applications of Troe's simplified model and a comparison between the simplified model and the classic RRKM theory are described.

Few-layer graphene growth from polystyrene as solid carbon source utilizing simple APCVD method

NASA Astrophysics Data System (ADS)

Ahmadi, Shahrokh; Afzalzadeh, Reza

2016-07-01

This research article presents development of an economical, simple, immune and environment friendly process to grow few-layer graphene by controlling evaporation rate of polystyrene on copper foil as catalyst and substrate utilizing atmospheric pressure chemical vapor deposition (APCVD) method. Evaporation rate of polystyrene depends on molecular structure, amount of used material and temperature. We have found controlling rate of evaporation of polystyrene by controlling the source temperature is easier than controlling the material weight. Atomic force microscopy (AFM) as well as Raman Spectroscopy has been used for characterization of the layers. The frequency of G‧ to G band ratio intensity in some samples varied between 0.8 and 1.6 corresponding to few-layer graphene. Topography characterization by atomic force microscopy confirmed Raman results.

Conceptual models governing leaching behavior and their long-term predictive capability

USGS Publications Warehouse

Claassen, Hans C.

1981-01-01

Six models that may be used to describe the interaction of radioactive waste solids with aqueous solutions are as follows:Simple linear mass transfer;Simple parabolic mass transfer;Parabolic mass transfer with the formation of a diffusion-limiting surface layer at an arbitrary time;Initial parabolic mass transfer followed by linear mass transfer at an arbitrary time;Parabolic (or linear) mass transfer and concomitant surface sorption; andParabolic (or linear) mass transfer and concomitant chemical precipitation.Some of these models lead to either illogical or unrealistic predictions when published data are extrapolated to long times. These predictions result because most data result from short-term experimentation. Probably for longer times, processes will occur that have not been observed in the shorter experiments. This hypothesis has been verified by mass-transfer data from laboratory experiments using natural volcanic glass to predict the composition of groundwater. That such rate-limiting mechanisms do occur is reassuring, although now it is not possible to deduce a single mass-transfer limiting mechanism that could control the solution concentration of all components of all waste forms being investigated. Probably the most reasonable mechanisms are surface sorption and chemical precipitation of the species of interest. Another is limiting of mass transfer by chemical precipitation on the waste form surface of a substance not containing the species of interest, that is, presence of a diffusion-limiting layer. The presence of sorption and chemical precipitation as factors limiting mass transfer has been verified in natural groundwater systems, whereas the diffusion-limiting mechanism has not been verified yet.

Fabrication of electric papers of graphene nanosheet shelled cellulose fibres by dispersion and infiltration as flexible electrodes for energy storage

NASA Astrophysics Data System (ADS)

Kang, Yan-Ru; Li, Ya-Li; Hou, Feng; Wen, Yang-Yang; Su, Dong

2012-05-01

An electrically conductive and electrochemically active composite paper of graphene nanosheet (GNS) coated cellulose fibres was fabricated via a simple paper-making process of dispersing chemically synthesized GNS into a cellulose pulp, followed by infiltration. The GNS nanosheet was deposited onto the cellulose fibers, forming a coating, during infiltration. It forms a continuous network through a bridge of interconnected cellulose fibres at small GNS loadings (3.2 wt%). The GNS/cellulose paper is as flexible and mechanically tough as the pure cellulose paper. The electrical measurements show the composite paper has a sheet resistance of 1063 Ω □-1 and a conductivity of 11.6 S m-1. The application of the composite paper as a flexible double layer supercapacitor in an organic electrolyte (LiPF6) displays a high capacity of 252 F g-1 at a current density of 1 A g-1 with respect to GNS. Moreover, the paper can be used as the anode in a lithium battery, showing distinct charge and discharge performances. The simple process for synthesising the GNS functionalized cellulose papers is attractive for the development of high performance papers for electrical, electrochemical and multifunctional applications.An electrically conductive and electrochemically active composite paper of graphene nanosheet (GNS) coated cellulose fibres was fabricated via a simple paper-making process of dispersing chemically synthesized GNS into a cellulose pulp, followed by infiltration. The GNS nanosheet was deposited onto the cellulose fibers, forming a coating, during infiltration. It forms a continuous network through a bridge of interconnected cellulose fibres at small GNS loadings (3.2 wt%). The GNS/cellulose paper is as flexible and mechanically tough as the pure cellulose paper. The electrical measurements show the composite paper has a sheet resistance of 1063 Ω □-1 and a conductivity of 11.6 S m-1. The application of the composite paper as a flexible double layer supercapacitor in an organic electrolyte (LiPF6) displays a high capacity of 252 F g-1 at a current density of 1 A g-1 with respect to GNS. Moreover, the paper can be used as the anode in a lithium battery, showing distinct charge and discharge performances. The simple process for synthesising the GNS functionalized cellulose papers is attractive for the development of high performance papers for electrical, electrochemical and multifunctional applications. Electronic supplementary information (ESI) available. See DOI: 10.1039/c2nr30318c

Database management systems for process safety.

PubMed

Early, William F

2006-03-17

Several elements of the process safety management regulation (PSM) require tracking and documentation of actions; process hazard analyses, management of change, process safety information, operating procedures, training, contractor safety programs, pre-startup safety reviews, incident investigations, emergency planning, and compliance audits. These elements can result in hundreds of actions annually that require actions. This tracking and documentation commonly is a failing identified in compliance audits, and is difficult to manage through action lists, spreadsheets, or other tools that are comfortably manipulated by plant personnel. This paper discusses the recent implementation of a database management system at a chemical plant and chronicles the improvements accomplished through the introduction of a customized system. The system as implemented modeled the normal plant workflows, and provided simple, recognizable user interfaces for ease of use.

Synthesis of Metal Nanoparticle-decorated Carbon Nanotubes under Ambient Conditions

NASA Technical Reports Server (NTRS)

Lin, Yi; Watson, Kent A.; Ghose, Sayata; Smith, Joseph G.; Connell, John W.

2008-01-01

This viewgraph presentation reviews the production of Metal Nanoparticle-decorated carbon Nanotubes. Multi-walled carbon nanotubes (MWCNTs) were efficiently decorated with metal nanoparticles (e.g. Ag, Pt, etc.) using the corresponding metal acetate in a simple mixing process without the need of chemical reagents or further processing. The conversion of acetate compounds to the corresponding metal reached over 90%, forming nanoparticles with average diameters less than 10 nm under certain conditions. The process was readily scalable allowing for the convenient preparation of multi-gram quantities of metal nanoparticle-decorated MWCNTs in a matter of a few minutes. These materials are under evaluation for a variety of electrical and catalytic applications. The preparation and characterization of these materials will be presented. The microscopic views of the processed MWCNTs are shown

Passive and active sol-gel materials and devices

NASA Astrophysics Data System (ADS)

Andrews, Mark P.; Najafi, S. Iraj

1997-07-01

This paper examines sol-gel materials for photonics in terms of partnerships with other material contenders for processing optical devices. The discussion in four sections identifies semiconductors, amorphous and crystalline inorganic dielectrics, and amorphous and crystalline organic dielectrics as strategic agents in the rapidly evolving area of materials and devices for data communications and telecommunications. With Zyss, we trace the hierarchical lineage that connects molecular hybridization (chemical functionality), through supramolecular hybridization (collective properties and responses), to functional hybridization (device and system level constructs). These three concepts thread their way through discussions of the roles sol-gel glasses might be anticipated to assume in a photonics marketplace. We assign a special place to glass integrated optics and show how high temperature consolidated sol-gel derived glasses fit into competitive glass fabrication technologies. Low temperature hybrid sol-gel glasses that combine attractive features of organic polymers and inorganic glasses are considered by drawing on examples of our own new processes for fabricating couplers, power splitters, waveguides and gratings by combining chemical synthesis and sol-gel processing with simple photomask techniques.

Silicone Resin Applications for Ceramic Precursors and Composites

PubMed Central

Narisawa, Masaki

2010-01-01

This article reviews the applications of silicone resins as ceramic precursors. The historical background of silicone synthesis chemistry is introduced to explain the production costs and supply availability of various silicones. Thermal degradation processes of silicones are classified in terms of the main chain structure and cyclic oligomer expulsion process, which determine the resulting ceramic yield and the chemical composition. The high temperature decomposition of Si-O-C beyond 1,400 °C in an inert atmosphere and formation of a protective silica layer on material surfaces beyond 1,200 °C in an oxidative atmosphere are discussed from the viewpoints of the wide chemical composition of the Si-O-C materials. Applications of the resins for binding agents, as starting materials for porous ceramics, matrix sources with impregnation, fiber spinning and ceramic adhesions are introduced. The recent development of the process of filler or cross-linking agent additions to resin compounds is also introduced. Such resin compounds are useful for obtaining thick coatings, MEMS parts and bulk ceramics, which are difficult to obtain by pyrolysis of simple organometallic precursors without additives.

Fast wettability transition from hydrophilic to superhydrophobic laser-textured stainless steel surfaces under low-temperature annealing

NASA Astrophysics Data System (ADS)

Ngo, Chi-Vinh; Chun, Doo-Man

2017-07-01

Recently, the fabrication of superhydrophobic metallic surfaces by means of pulsed laser texturing has been developed. After laser texturing, samples are typically chemically coated or aged in ambient air for a relatively long time of several weeks to achieve superhydrophobicity. To accelerate the wettability transition from hydrophilicity to superhydrophobicity without the use of additional chemical treatment, a simple annealing post process has been developed. In the present work, grid patterns were first fabricated on stainless steel by a nanosecond pulsed laser, then an additional low-temperature annealing post process at 100 °C was applied. The effect of 100-500 μm step size of the textured grid upon the wettability transition time was also investigated. The proposed post process reduced the transition time from a couple of months to within several hours. All samples showed superhydrophobicity with contact angles greater than 160° and sliding angles smaller than 10° except samples with 500 μm step size, and could be applied in several potential applications such as self-cleaning and control of water adhesion.

Positive and negative ZnO micropatterning on functionalized polymer surfaces.

PubMed

Yang, Peng; Zou, Shengli; Yang, Wantai

2008-09-01

Patterned ZnO deposition on substrates has received increasing attention because of its great potential in photocatalysis, energy conversion, and electro-optical techniques. Chemical solution growth is especially promising for organic substrates due to its very mild reaction conditions. Here this method is used on functionality-patterned polymer surfaces in order to fabricate positive and negative ZnO micropatterns. A ZnO film made of arrayed rods, typically 500-750 nm in diameter and 2.5 microm in length, is selectively obtained on sulfated and hydroxylated regions of biaxially oriented poly(propylene), giving rise to positive patterns. For reactive polyesters such as poly(ethylene terephthalate), the ZnO rods selectively remain on the unmodified original regions, creating negative patterns. Unlike complex photolithography procedures, the irradiation and patterning processes do not require the use of positive or negative photoresists, and possible damage from acidic solutions on the underlying substrate during the chemical etching process is avoided. The process thus proves to be a simple, creditable, and low-cost method, which could be easily applied on a variety of inert and reactive polymer surfaces.

Facile fabrication of CNT-based chemical sensor operating at room temperature

NASA Astrophysics Data System (ADS)

Sheng, Jiadong; Zeng, Xian; Zhu, Qi; Yang, Zhaohui; Zhang, Xiaohua

2017-12-01

This paper describes a simple, low cost and effective route to fabricate CNT-based chemical sensors, which operate at room temperature. Firstly, the incorporation of silk fibroin in vertically aligned CNT arrays (CNTA) obtained through a thermal chemical vapor deposition (CVD) method makes the direct removal of CNT arrays from substrates without any rigorous acid or sonication treatment feasible. Through a simple one-step in situ polymerization of anilines, the functionalization of CNT arrays with polyaniline (PANI) significantly improves the sensing performance of CNT-based chemical sensors in detecting ammonia (NH3) and hydrogen chloride (HCl) vapors. Chemically modified CNT arrays also show responses to organic vapors like menthol, ethyl acetate and acetone. Although the detection limits of chemically modified CNT-based chemical sensors are of the same orders of magnitudes reported in previous studies, these CNT-based chemical sensors show advantages of simplicity, low cost and energy efficiency in preparation and fabrication of devices. Additionally, a linear relationship between the relative sensitivity and concentration of analyte makes precise estimations on the concentrations of trace chemical vapors possible.

Development of a Raman chemical imaging detection method for authenticating skim milk powder

USDA-ARS?s Scientific Manuscript database

This research demonstrated that Raman chemical imaging coupled with a simple image classification algorithm can be used to detect multiple chemical adulterants in skim milk powder. Ammonium sulfate, dicyandiamide, melamine, and urea were mixed into the milk powder as chemical adulterants in the conc...

Emergence of life: Physical chemistry changes the paradigm.

PubMed

Spitzer, Jan; Pielak, Gary J; Poolman, Bert

2015-06-10

Origin of life research has been slow to advance not only because of its complex evolutionary nature (Franklin Harold: In Search of Cell History, 2014) but also because of the lack of agreement on fundamental concepts, including the question of 'what is life?'. To re-energize the research and define a new experimental paradigm, we advance four premises to better understand the physicochemical complexities of life's emergence: (1) Chemical and Darwinian (biological) evolutions are distinct, but become continuous with the appearance of heredity. (2) Earth's chemical evolution is driven by energies of cycling (diurnal) disequilibria and by energies of hydrothermal vents. (3) Earth's overall chemical complexity must be high at the origin of life for a subset of (complex) chemicals to phase separate and evolve into living states. (4) Macromolecular crowding in aqueous electrolytes under confined conditions enables evolution of molecular recognition and cellular self-organization. We discuss these premises in relation to current 'constructive' (non-evolutionary) paradigm of origins research - the process of complexification of chemical matter 'from the simple to the complex'. This paradigm artificially avoids planetary chemical complexity and the natural tendency of molecular compositions toward maximum disorder embodied in the second law of thermodynamics. Our four premises suggest an empirical program of experiments involving complex chemical compositions under cycling gradients of temperature, water activity and electromagnetic radiation.

Acetylene fuel from atmospheric CO2 on Mars

NASA Technical Reports Server (NTRS)

Landis, Geoffrey A.; Linne, Diane L.

1992-01-01

The Mars mission scenario proposed by Baker and Zubrin (1990) intended for an unmanned preliminary mission is extended to maximize the total impulse of fuel produced with a minimum mass of hydrogen from Earth. The hydrogen along with atmospheric carbon dioxide is processed into methane and oxygen by the exothermic reaction in an atmospheric processing module. Use of simple chemical reactions to produce acetylene/oxygen rocket fuel on Mars from hydrogen makes it possible to produce an amount of fuel that is nearly 100 times the mass of hydrogen brought from earth. If such a process produces the return propellant for a manned Mars mission, the required mission mass in LEO is significantly reduced over a system using all earth-derived propellants.

Diagnostic tools for mixing models of stream water chemistry

USGS Publications Warehouse

Hooper, Richard P.

2003-01-01

Mixing models provide a useful null hypothesis against which to evaluate processes controlling stream water chemical data. Because conservative mixing of end‐members with constant concentration is a linear process, a number of simple mathematical and multivariate statistical methods can be applied to this problem. Although mixing models have been most typically used in the context of mixing soil and groundwater end‐members, an extension of the mathematics of mixing models is presented that assesses the “fit” of a multivariate data set to a lower dimensional mixing subspace without the need for explicitly identified end‐members. Diagnostic tools are developed to determine the approximate rank of the data set and to assess lack of fit of the data. This permits identification of processes that violate the assumptions of the mixing model and can suggest the dominant processes controlling stream water chemical variation. These same diagnostic tools can be used to assess the fit of the chemistry of one site into the mixing subspace of a different site, thereby permitting an assessment of the consistency of controlling end‐members across sites. This technique is applied to a number of sites at the Panola Mountain Research Watershed located near Atlanta, Georgia.

Recombinant human albumin supports single cell cloning of CHO cells in chemically defined media.

PubMed

Zhu, Jiang; Wooh, Jong Wei; Hou, Jeff Jia Cheng; Hughes, Benjamin S; Gray, Peter P; Munro, Trent P

2012-01-01

Biologic drugs, such as monoclonal antibodies, are commonly made using mammalian cells in culture. The cell lines used for manufacturing should ideally be clonal, meaning derived from a single cell, which represents a technically challenging process. Fetal bovine serum is often used to support low cell density cultures, however, from a regulatory perspective, it is preferable to avoid animal-derived components to increase process consistency and reduce the risk of contamination from adventitious agents. Chinese hamster ovary (CHO) cells are the most widely used cell line in industry and a large number of serum-free, protein-free, and fully chemically defined growth media are commercially available, although these media alone do not readily support efficient single cell cloning. In this work, we have developed a simple, fully defined, single-cell cloning media, specifically for CHO cells, using commercially available reagents. Our results show that a 1:1 mixture of CD-CHO™ and DMEM/F12 supplemented with 1.5 g/L of recombinant albumin (Albucult®) supports single cell cloning. This formulation can support recovery of single cells in 43% of cultures compared to 62% in the presence of serum. Copyright © 2012 American Institute of Chemical Engineers (AIChE).

Molecular gearing systems

DOE PAGES

Gakh, Andrei A.; Sachleben, Richard A.; Bryan, Jeff C.

1997-11-01

The race to create smaller devices is fueling much of the research in electronics. The competition has intensified with the advent of microelectromechanical systems (MEMS), in which miniaturization is already reaching the dimensional limits imposed by physics of current lithographic techniques. Also, in the realm of biochemistry, evidence is accumulating that certain enzyme complexes are capable of very sophisticated modes of motion. Complex synergistic biochemical complexes driven by sophisticated biomechanical processes are quite common. Their biochemical functions are based on the interplay of mechanical and chemical processes, including allosteric effects. In addition, the complexity of this interplay far exceeds thatmore » of typical chemical reactions. Understanding the behavior of artificial molecular devices as well as complex natural molecular biomechanical systems is difficult. Fortunately, the problem can be successfully resolved by direct molecular engineering of simple molecular systems that can mimic desired mechanical or electronic devices. These molecular systems are called technomimetics (the name is derived, by analogy, from biomimetics). Several classes of molecular systems that can mimic mechanical, electronic, or other features of macroscopic devices have been successfully synthesized by conventional chemical methods during the past two decades. In this article we discuss only one class of such model devices: molecular gearing systems.« less

Oxide films state analysis by IR spectroscopy based on the simple oscillator approximation

NASA Astrophysics Data System (ADS)

Volkov, N. V.; Yakutkina, T. V.; Karpova, V. V.

2017-05-01

Stabilization of structure-phase state in a wide temperature range is one of the most important problems of improving properties of oxide compounds. As such, the search of new effective methods for obtaining metal oxides with desired physic-chemical, electro-physical and thermal properties and their control is important and relevant. The aim of this work is identification features state of the oxide films of some metals Be, Al, Fe, Cu, Zr on the metal surface of the polycrystalline samples by infrared spectroscopy. To identify the resonance emission bands the algorithm of IR-spectra processing was developed and realized on the basis of table processor EXCEL-2010, which allow revealing characteristic resonance bands successfully and identification of inorganic chemical compounds. In the frame of simple oscillator model, resonance frequencies of normal vibrations of water and some inorganic compounds: metal oxides - Be, Al, Fe, Cu, Zr were calculated and characteristic frequencies for different states (aggregate, deformation, phase) were specified. By means of IR-spectroscopy fundamental possibility of revealing oxides films on metal substrate features state is shown, that allow development and optimization of the technology for production of the oxide films with desired properties.

Continuous variables logic via coupled automata using a DNAzyme cascade with feedback† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6sc03892a Click here for additional data file.

PubMed Central

Lilienthal, S.; Klein, M.; Orbach, R.; Willner, I.; Remacle, F.

2017-01-01

The concentration of molecules can be changed by chemical reactions and thereby offer a continuous readout. Yet computer architecture is cast in textbooks in terms of binary valued, Boolean variables. To enable reactive chemical systems to compute we show how, using the Cox interpretation of probability theory, one can transcribe the equations of chemical kinetics as a sequence of coupled logic gates operating on continuous variables. It is discussed how the distinct chemical identity of a molecule allows us to create a common language for chemical kinetics and Boolean logic. Specifically, the logic AND operation is shown to be equivalent to a bimolecular process. The logic XOR operation represents chemical processes that take place concurrently. The values of the rate constants enter the logic scheme as inputs. By designing a reaction scheme with a feedback we endow the logic gates with a built in memory because their output then depends on the input and also on the present state of the system. Technically such a logic machine is an automaton. We report an experimental realization of three such coupled automata using a DNAzyme multilayer signaling cascade. A simple model verifies analytically that our experimental scheme provides an integrator generating a power series that is third order in time. The model identifies two parameters that govern the kinetics and shows how the initial concentrations of the substrates are the coefficients in the power series. PMID:28507669

Thermodynamics of information processing based on enzyme kinetics: An exactly solvable model of an information pump

NASA Astrophysics Data System (ADS)

Cao, Yuansheng; Gong, Zongping; Quan, H. T.

2015-06-01

Motivated by the recent proposed models of the information engine [Proc. Natl. Acad. Sci. USA 109, 11641 (2012), 10.1073/pnas.1204263109] and the information refrigerator [Phys. Rev. Lett. 111, 030602 (2013), 10.1103/PhysRevLett.111.030602], we propose a minimal model of the information pump and the information eraser based on enzyme kinetics. This device can either pump molecules against the chemical potential gradient by consuming the information to be encoded in the bit stream or (partially) erase the information initially encoded in the bit stream by consuming the Gibbs free energy. The dynamics of this model is solved exactly, and the "phase diagram" of the operation regimes is determined. The efficiency and the power of the information machine is analyzed. The validity of the second law of thermodynamics within our model is clarified. Our model offers a simple paradigm for the investigating of the thermodynamics of information processing involving the chemical potential in small systems.

Ten-gram-scale preparation of PTMS-based monodisperse ORMOSIL nano- and microparticles and conversion to silica particles

NASA Astrophysics Data System (ADS)

Kim, Jung Soo; Jung, Gyu Il; Kim, Soo Jung; Koo, Sang Man

2018-03-01

Monodisperse organically modified silica (ORMOSIL) particles, with an average diameter ranging from 550 nm to 4.2 μm, were prepared at low temperature at a scale of about 10 g/batch by a simple one-step self-emulsion process. The reaction mixture was composed only of water, phenyltrimethoxysilane (PTMS), and a base catalyst, without any surfactants. The size control of the particles and the monodispersity of resultant particles were achieved through the controlled supply of hydrolyzed PTMS monomer molecules, which was enabled by manipulating the reaction parameters, such as monomer concentration, type and amount of base catalyst, stirring rate, and reaction temperature. PTMS-based ORMOSIL particles were converted into silica particles by employing either a wet chemical reaction with an oleum-sulfuric acid mixture or thermal treatment above 650 °C. Complete removal of organic groups from the ORMOSIL particles was achieved by the thermal treatment while 74% removal was done by the chemical process used. [Figure not available: see fulltext.

The Sample Analysis at Mars Investigation and Instrument Suite

NASA Technical Reports Server (NTRS)

Mahaffy, Paul; Webster, Chris R.; Cabane, M.; Conrad, Pamela G.; Coll, Patrice; Atreya, Sushil K.; Arvey, Robert; Barciniak, Michael; Benna, Mehdi; Bleacher, L.;

Use of a biosynthetic intermediate to explore the chemical diversity of pseudo-natural fungal polyketides.

PubMed

Asai, Teigo; Tsukada, Kento; Ise, Satomi; Shirata, Naoki; Hashimoto, Makoto; Fujii, Isao; Gomi, Katsuya; Nakagawara, Kosuke; Kodama, Eiichi N; Oshima, Yoshiteru

2015-09-01

The structural complexity and diversity of natural products make them attractive sources for potential drug discovery, with their characteristics being derived from the multi-step combination of enzymatic and non-enzymatic conversions of intermediates in each biosynthetic pathway. Intermediates that exhibit multipotent behaviour have great potential for use as starting points in diversity-oriented synthesis. Inspired by the biosynthetic pathways that form complex metabolites from simple intermediates, we developed a semi-synthetic process that combines heterologous biosynthesis and artificial diversification. The heterologous biosynthesis of fungal polyketide intermediates led to the isolation of novel oligomers and provided evidence for ortho-quinonemethide equivalency in their isochromene form. The intrinsic reactivity of the isochromene polyketide enabled us to access various new chemical entities by modifying and remodelling the polyketide core and through coupling with indole molecules. We thus succeeded in generating exceptionally diverse pseudo-natural polyketides through this process and demonstrated an advanced method of using biosynthetic intermediates.

The effects of sooting in droplet combustion

NASA Technical Reports Server (NTRS)

Lee, Kyeong-Ook; Jensen, Kirk; Choi, Mun Young

1995-01-01

The study of the burning of a single droplet is an ideal problem from which to gain fundamental understanding of diffusion flame characteristics. Droplet combustion is a complex physico-chemical process that involves a chemically-reacting two-phase flow with phase changes and yet simple experiments and analysis can be used to attain important insights into the burning rate, flame dynamics, kinetic extinction and disruption processes. It is a subject that has been actively studied for the past 40 years with most of the fundamental experiments being performed under reduced-gravity conditions for direct comparisons with theoretical/computational analyses that invoke spherical symmetry assumptions. In the earlier studies, the effects of sooting on the overall burning characteristics were not considered. However, recent microgravity investigations performed at the NASA-LeRC droptowers (Droplet Combustion Experiment) and others indicate that effects of soot and sootcloud formation may be significant during the lifetime of the droplet and therefore must be included in the analysis.

Use of a biosynthetic intermediate to explore the chemical diversity of pseudo-natural fungal polyketides

NASA Astrophysics Data System (ADS)

Asai, Teigo; Tsukada, Kento; Ise, Satomi; Shirata, Naoki; Hashimoto, Makoto; Fujii, Isao; Gomi, Katsuya; Nakagawara, Kosuke; Kodama, Eiichi N.; Oshima, Yoshiteru

2015-09-01

The structural complexity and diversity of natural products make them attractive sources for potential drug discovery, with their characteristics being derived from the multi-step combination of enzymatic and non-enzymatic conversions of intermediates in each biosynthetic pathway. Intermediates that exhibit multipotent behaviour have great potential for use as starting points in diversity-oriented synthesis. Inspired by the biosynthetic pathways that form complex metabolites from simple intermediates, we developed a semi-synthetic process that combines heterologous biosynthesis and artificial diversification. The heterologous biosynthesis of fungal polyketide intermediates led to the isolation of novel oligomers and provided evidence for ortho-quinonemethide equivalency in their isochromene form. The intrinsic reactivity of the isochromene polyketide enabled us to access various new chemical entities by modifying and remodelling the polyketide core and through coupling with indole molecules. We thus succeeded in generating exceptionally diverse pseudo-natural polyketides through this process and demonstrated an advanced method of using biosynthetic intermediates.

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

Air-Lubricated Thermal Processor For Dry Silver Film

NASA Astrophysics Data System (ADS)

Siryj, B. W.

1980-09-01

Since dry silver film is processed by heat, it may be viewed on a light table only seconds after exposure. On the other hand, wet films require both bulky chemicals and substantial time before an image can be analyzed. Processing of dry silver film, although simple in concept, is not so simple when reduced to practice. The main concern is the effect of film temperature gradients on uniformity of optical film density. RCA has developed two thermal processors, different in implementation but based on the same philosophy. Pressurized air is directed to both sides of the film to support the film and to conduct the heat to the film. Porous graphite is used as the medium through which heat and air are introduced. The initial thermal processor was designed to process 9.5-inch-wide film moving at speeds ranging from 0.0034 to 0.008 inch per second. The processor configuration was curved to match the plane generated by the laser recording beam. The second thermal processor was configured to process 5-inch-wide film moving at a continuously variable rate ranging from 0.15 to 3.5 inches per second. Due to field flattening optics used in this laser recorder, the required film processing area was plane. In addition, this processor was sectioned in the direction of film motion, giving the processor the capability of varying both temperature and effective processing area.

Radiation induced dissolution of UO 2 based nuclear fuel - A critical review of predictive modelling approaches

NASA Astrophysics Data System (ADS)

Eriksen, Trygve E.; Shoesmith, David W.; Jonsson, Mats

2012-01-01

Radiation induced dissolution of uranium dioxide (UO 2) nuclear fuel and the consequent release of radionuclides to intruding groundwater are key-processes in the safety analysis of future deep geological repositories for spent nuclear fuel. For several decades, these processes have been studied experimentally using both spent fuel and various types of simulated spent fuels. The latter have been employed since it is difficult to draw mechanistic conclusions from real spent nuclear fuel experiments. Several predictive modelling approaches have been developed over the last two decades. These models are largely based on experimental observations. In this work we have performed a critical review of the modelling approaches developed based on the large body of chemical and electrochemical experimental data. The main conclusions are: (1) the use of measured interfacial rate constants give results in generally good agreement with experimental results compared to simulations where homogeneous rate constants are used; (2) the use of spatial dose rate distributions is particularly important when simulating the behaviour over short time periods; and (3) the steady-state approach (the rate of oxidant consumption is equal to the rate of oxidant production) provides a simple but fairly accurate alternative, but errors in the reaction mechanism and in the kinetic parameters used may not be revealed by simple benchmarking. It is essential to use experimentally determined rate constants and verified reaction mechanisms, irrespective of whether the approach is chemical or electrochemical.

Real-time monitoring of enzyme-free strand displacement cascades by colorimetric assays

NASA Astrophysics Data System (ADS)

Duan, Ruixue; Wang, Boya; Hong, Fan; Zhang, Tianchi; Jia, Yongmei; Huang, Jiayu; Hakeem, Abdul; Liu, Nannan; Lou, Xiaoding; Xia, Fan

2015-03-01

The enzyme-free toehold-mediated strand displacement reaction has shown potential for building programmable DNA circuits, biosensors, molecular machines and chemical reaction networks. Here we report a simple colorimetric method using gold nanoparticles as signal generators for the real-time detection of the product of the strand displacement cascade. During the process the assembled gold nanoparticles can be separated, resulting in a color change of the solution. This assay can also be applied in complex mixtures, fetal bovine serum, and to detect single-base mismatches. These results suggest that this method could be of general utility to monitor more complex enzyme-free strand displacement reaction-based programmable systems or for further low-cost diagnostic applications.The enzyme-free toehold-mediated strand displacement reaction has shown potential for building programmable DNA circuits, biosensors, molecular machines and chemical reaction networks. Here we report a simple colorimetric method using gold nanoparticles as signal generators for the real-time detection of the product of the strand displacement cascade. During the process the assembled gold nanoparticles can be separated, resulting in a color change of the solution. This assay can also be applied in complex mixtures, fetal bovine serum, and to detect single-base mismatches. These results suggest that this method could be of general utility to monitor more complex enzyme-free strand displacement reaction-based programmable systems or for further low-cost diagnostic applications. Electronic supplementary information (ESI) available: Experimental procedures and analytical data are provided. See DOI: 10.1039/c5nr00697j

Evaluating the influence of chemical weathering on the composition of the continental crust using lithium and its isotopes

NASA Astrophysics Data System (ADS)

Rudnick, R. L.; Liu, X.

2011-12-01

The continental crust has an "intermediate" bulk composition that is distinct from primary melts of peridotitic mantle (basalt or picrite). This mismatch between the "building blocks" and the "edifice" of the continental crust points to the operation of processes that preferentially remove mafic to ultramafic material from the continents. Such processes include lower crustal recycling (via density foundering or lower crustal subduction - e.g., relamination, Hacker et al., 2011, EPSL), generation of evolved melts via slab melting, and/or chemical weathering. Stable isotope systems document the influence of chemical weathering on the bulk crust composition: the oxygen isotope composition of the bulk crust is distinctly heavier than that of primary, mantle-derived melts (Simon and Lecuyer, 2005, G-cubed) and the Li isotopic composition of the bulk crust is distinctly lighter than that of mantle-derive melts (Teng et al., 2004, GCA; 2008, Chem. Geol.). Both signatures mark the imprint of chemical weathering on the bulk crust composition. Here, we use a simple mass balance model for lithium inputs and outputs from the continental crust to quantify the mass lost due to chemical weathering. We find that a minimum of 15%, a maximum of 60%, and a best estimate of ~40% of the original juvenile rock mass may have been lost via chemical weathering. The accumulated percentage of mass loss due to chemical weathering leads to an average global chemical weathering rate (CWR) of ~ 8×10^9 to 2×10^10 t/yr since 3.5 Ga, which is about an order of magnitude higher than the minimum estimates based on modern rivers (Gaillardet et al., 1999, Chem. Geol.). While we cannot constrain the exact portion of crustal mass loss via chemical weathering, given the uncertainties of the calculation, we can demonstrate that the weathering flux is non-zero. Therefore, chemical weathering must play a role in the evolution of the composition and mass of the continental crust.

Constraints on continental crustal mass loss via chemical weathering using lithium and its isotopes

NASA Astrophysics Data System (ADS)

Rudnick, R. L.; Liu, X. M.

2012-04-01

The continental crust has an "intermediate" bulk composition that is distinct from primary melts of peridotitic mantle (basalt or picrite). This mismatch between the "building blocks" and the "edifice" that is the continental crust points to the operation of processes that preferentially remove mafic to ultramafic material from the continents. Such processes include lower crustal recycling (via density foundering or lower crustal subduction - e.g., relamination, Hacker et al., 2011, EPSL), generation of evolved melts via slab melting, and/or chemical weathering. Stable isotope systems point to the influence of chemical weathering on the bulk crust composition: the oxygen isotope composition of the bulk crust is distinctly heavier than that of primary, mantle-derived melts (Simon and Lecuyer, 2005, G-cubed) and the Li isotopic composition of the bulk crust is distinctly lighter than that of mantle-derive melts (Teng et al., 2004, GCA; 2008, Chem. Geol.). Both signatures mark the imprint of chemical weathering on the bulk crust composition. Here, we use a simple mass balance model for lithium inputs and outputs from the continental crust to quantify the mass lost due to chemical weathering. We find that a minimum of 15%, a maximum of 60%, and a best estimate of ~40% of the original juvenile rock mass may have been lost via chemical weathering. The accumulated percentage of mass loss due to chemical weathering leads to an average global chemical weathering rate (CWR) of ~ 1×10^10 to 2×10^10 t/yr since 3.5 Ga, which is about an order of magnitude higher than the minimum estimates based on modern rivers (Gaillardet et al., 1999, Chem. Geol.). While we cannot constrain the exact portion of crustal mass loss via chemical weathering, given the uncertainties of the calculation, we can demonstrate that the weathering flux is non-zero. Therefore, chemical weathering must play a role in the evolution of the composition and mass of the continental crust.

A Novel Surface Treatment for Titanium Alloys

NASA Technical Reports Server (NTRS)

Lowther, S. E.; Park, C.; SaintClair, T. L.

2004-01-01

High-speed commercial aircraft require a surface treatment for titanium (Ti) alloy that is both environmentally safe and durable under the conditions of supersonic flight. A number of pretreatment procedures for Ti alloy requiring multi-stages have been developed to produce a stable surface. Among the stages are, degreasing, mechanical abrasion, chemical etching, and electrochemical anodizing. These treatments exhibit significant variations in their long-term stability, and the benefits of each step in these processes still remain unclear. In addition, chromium compounds are often used in many chemical treatments and these materials are detrimental to the environment. Recently, a chromium-free surface treatment for Ti alloy has been reported, though not designed for high temperature applications. In the present study, a simple surface treatment process developed at NASA/LaRC is reported, offering a high performance surface for a variety of applications. This novel surface treatment for Ti alloy is conventionally achieved by forming oxides on the surface with a two-step chemical process without mechanical abrasion. This acid-followed-by-base treatment was designed to be cost effective and relatively safe to use in a commercial application. In addition, it is chromium-free, and has been successfully used with a sol-gel coating to afford a strong adhesive bond after exposure to hot-wet environments. Phenylethynyl containing adhesives were used to evaluate this surface treatment with sol-gel solutions made of novel imide silanes developed at NASA/LaRC. Oxide layers developed by this process were controlled by immersion time and temperature and solution concentration. The morphology and chemical composition of the oxide layers were investigated using scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and Auger electron spectroscopy (AES). Bond strengths made with this new treatment were evaluated using single lap shear tests.

A stochastic process approach of the drake equation parameters

NASA Astrophysics Data System (ADS)

Glade, Nicolas; Ballet, Pascal; Bastien, Olivier

2012-04-01

The number N of detectable (i.e. communicating) extraterrestrial civilizations in the Milky Way galaxy is usually calculated by using the Drake equation. This equation was established in 1961 by Frank Drake and was the first step to quantifying the Search for ExtraTerrestrial Intelligence (SETI) field. Practically, this equation is rather a simple algebraic expression and its simplistic nature leaves it open to frequent re-expression. An additional problem of the Drake equation is the time-independence of its terms, which for example excludes the effects of the physico-chemical history of the galaxy. Recently, it has been demonstrated that the main shortcoming of the Drake equation is its lack of temporal structure, i.e., it fails to take into account various evolutionary processes. In particular, the Drake equation does not provides any error estimation about the measured quantity. Here, we propose a first treatment of these evolutionary aspects by constructing a simple stochastic process that will be able to provide both a temporal structure to the Drake equation (i.e. introduce time in the Drake formula in order to obtain something like N(t)) and a first standard error measure.

The Industrial Age of Biocatalytic Transamination.

PubMed

Fuchs, Michael; Farnberger, Judith E; Kroutil, Wolfgang

2015-11-01

During the last decade the use of ω-transaminases has been identified as a very powerful method for the preparation of optically pure amines from the corresponding ketones. Their immense potential for the preparation of chiral amines, together with their ease of use in combination with existing biocatalytic methods, have made these biocatalysts a competitor to any chemical methodology for (asymmetric) amination. An increasing number of examples, especially from industry, shows that this biocatalytic technology outmaneuvers existing chemical processes by its simple and flexible nature. In the last few years numerous publications and patents on synthetic routes, mainly to pharmaceuticals, involving ω-transaminases have been published. The review gives an overview of the application of ω-transaminases in organic synthesis with a focus on active pharmaceutical ingredients (APIs) and the developments during the last few years.

Optical fiber sensor having a sol-gel fiber core and a method of making

DOEpatents

Tao, Shiquan; Jindal, Rajeev; Winstead, Christopher; Singh, Jagdish P.

2006-06-06

A simple, economic wet chemical procedure is described for making sol-gel fibers. The sol-gel fibers made from this process are transparent to ultraviolet, visible and near infrared light. Light can be guided in these fibers by using an organic polymer as a fiber cladding. Alternatively, air can be used as a low refractive index medium. The sol-gel fibers have a micro pore structure which allows molecules to diffuse into the fiber core from the surrounding environment. Chemical and biochemical reagents can be doped into the fiber core. The sol-gel fiber can be used as a transducer for constructing an optical fiber sensor. The optical fiber sensor having an active sol-gel fiber core is more sensitive than conventional evanescent wave absorption based optical fiber sensors.

Organic waste as a sustainable feedstock for platform chemicals.

PubMed

Coma, M; Martinez-Hernandez, E; Abeln, F; Raikova, S; Donnelly, J; Arnot, T C; Allen, M J; Hong, D D; Chuck, C J

2017-09-21

Biorefineries have been established since the 1980s for biofuel production, and there has been a switch lately from first to second generation feedstocks in order to avoid the food versus fuel dilemma. To a lesser extent, many opportunities have been investigated for producing chemicals from biomass using by-products of the present biorefineries, simple waste streams. Current facilities apply intensive pre-treatments to deal with single substrate types such as carbohydrates. However, most organic streams such as municipal solid waste or algal blooms present a high complexity and variable mixture of molecules, which makes specific compound production and separation difficult. Here we focus on flexible anaerobic fermentation and hydrothermal processes that can treat complex biomass as a whole to obtain a range of products within an integrated biorefinery concept.

Organic waste as a sustainable feedstock for platform chemicals

PubMed Central

Martinez-Hernandez, E.; Abeln, F.; Raikova, S.; Donnelly, J.; Arnot, T. C.; Allen, M. J.; Hong, D. D.; Chuck, C. J.

2017-01-01

Biorefineries have been established since the 1980s for biofuel production, and there has been a switch lately from first to second generation feedstocks in order to avoid the food versus fuel dilemma. To a lesser extent, many opportunities have been investigated for producing chemicals from biomass using by-products of the present biorefineries, simple waste streams. Current facilities apply intensive pre-treatments to deal with single substrate types such as carbohydrates. However, most organic streams such as municipal solid waste or algal blooms present a high complexity and variable mixture of molecules, which makes specific compound production and separation difficult. Here we focus on flexible anaerobic fermentation and hydrothermal processes that can treat complex biomass as a whole to obtain a range of products within an integrated biorefinery concept. PMID:28654113

Programming Chemical Reaction Networks Using Intramolecular Conformational Motions of DNA.

PubMed

Lai, Wei; Ren, Lei; Tang, Qian; Qu, Xiangmeng; Li, Jiang; Wang, Lihua; Li, Li; Fan, Chunhai; Pei, Hao

2018-06-22

The programmable regulation of chemical reaction networks (CRNs) represents a major challenge toward the development of complex molecular devices performing sophisticated motions and functions. Nevertheless, regulation of artificial CRNs is generally energy- and time-intensive as compared to natural regulation. Inspired by allosteric regulation in biological CRNs, we herein develop an intramolecular conformational motion strategy (InCMS) for programmable regulation of DNA CRNs. We design a DNA switch as the regulatory element to program the distance between the toehold and branch migration domain. The presence of multiple conformational transitions leads to wide-range kinetic regulation spanning over 4 orders of magnitude. Furthermore, the process of energy-cost-free strand exchange accompanied by conformational change discriminates single base mismatches. Our strategy thus provides a simple yet effective approach for dynamic programming of complex CRNs.

DESPOTIC - a new software library to Derive the Energetics and SPectra of Optically Thick Interstellar Clouds

NASA Astrophysics Data System (ADS)

Krumholz, Mark R.

2014-01-01

I describe DESPOTIC, a code to Derive the Energetics and SPectra of Optically Thick Interstellar Clouds. DESPOTIC represents such clouds using a one-zone model, and can calculate line luminosities, line cooling rates, and in restricted cases line profiles using an escape probability formalism. It also includes approximate treatments of the dominant heating, cooling and chemical processes for the cold interstellar medium, including cosmic ray and X-ray heating, grain photoelectric heating, heating of the dust by infrared and ultraviolet radiation, thermal cooling of the dust, collisional energy exchange between dust and gas, and a simple network for carbon chemistry. Based on these heating, cooling and chemical rates, DESPOTIC can calculate clouds' equilibrium gas and dust temperatures, equilibrium carbon chemical state and time-dependent thermal and chemical evolution. The software is intended to allow rapid and interactive calculation of clouds' characteristic temperatures, identification of their dominant heating and cooling mechanisms and prediction of their observable spectra across a wide range of interstellar environments. DESPOTIC is implemented as a PYTHON package, and is released under the GNU General Public License.

Chemical elemental analysis of single acoustic-levitated water droplets by laser-induced breakdown spectroscopy.

PubMed

Contreras, Victor; Valencia, Ricardo; Peralta, Jairo; Sobral, H; Meneses-Nava, M A; Martinez, Horacio

2018-05-15

Laser-induced breakdown spectroscopy is presented for trace element detection of liquid samples by analyzing a single droplet levitated by ultrasonic waves. A single liquid droplet is placed in the node of a standing acoustic wave produced by a uniaxial levitator for further chemical analysis. The acoustic levitator consists of a commercial Langevin-type transducer, attached to a concave mechanical amplifier, and a concave reflector. A micro-syringe was used to manually place individual liquid droplet samples in the acoustic levitation system. For chemical analysis, a laser-induced plasma is produced by focusing a single laser pulse on the levitated water droplet after it partially dries. The performance of the acoustic levitator on micron-sized droplets is discussed, and the detection of Ba, Cd, Hg, and Pb at parts per million (milligrams/liter) and sub-parts per million levels is reported. The process, starting from placing the sample in the acoustic levitator and ending on the chemical identification of the traces, takes a few minutes. The approach is particularly interesting in applications demanding limited volumes of liquid samples and relative simple and inexpensive techniques.

Development of a software tool to support chemical and biological terrorism intelligence analysis

NASA Astrophysics Data System (ADS)

Hunt, Allen R.; Foreman, William

1997-01-01

AKELA has developed a software tool which uses a systems analytic approach to model the critical processes which support the acquisition of biological and chemical weapons by terrorist organizations. This tool has four major components. The first is a procedural expert system which describes the weapon acquisition process. It shows the relationship between the stages a group goes through to acquire and use a weapon, and the activities in each stage required to be successful. It applies to both state sponsored and small group acquisition. An important part of this expert system is an analysis of the acquisition process which is embodied in a list of observables of weapon acquisition activity. These observables are cues for intelligence collection The second component is a detailed glossary of technical terms which helps analysts with a non- technical background understand the potential relevance of collected information. The third component is a linking capability which shows where technical terms apply to the parts of the acquisition process. The final component is a simple, intuitive user interface which shows a picture of the entire process at a glance and lets the user move quickly to get more detailed information. This paper explains e each of these five model components.

Cycling of DMSP and DMS in Surface Ocean Waters: The Impact of Microzooplankton Grazing and Metabolism

NASA Technical Reports Server (NTRS)

Sherr, Evelyn; Sherr, Barry; Wolfe, Gordon; Kiene, Ronald

1997-01-01

We have explored and identified several novel aspects of dimetylsulfoniopropionate (DMSP) metabolism and dimetylsulfide (DMS) production by microbial food web processes. Processes studied include: microzooplankton herbivory, uptake and retention of dissolved (DMSP) by marine bacteria, coupled with microzooplankton bacterivory, and generation of (DMS) as a byproduct of chemical grazing deterrence by Emiliania huxleyi. Our results illustrate the complexities of DMSP cycling and DMS production, and support the idea that the flux of DMS to the atmosphere is the result of many coupled trophic interactions which are not currently predictable by simple models or observations tied to a few bulk parameters. Although it is highly desirable to measure trophic interactions by remote sensing techniques, satellite methods cannot currently yield information on bacterial or microzooplankton abundances, activities, and processes. We have identified specific processes which must be included in future efforts, but we do not know yet how widespread or important these will be in many natural waters. We believe further work will enable us to simplify our model of DMS production by eliminating second order processes, and help refine our insight into the primary biological and chemical sources of atmospheric DMS. This is fundamental work which should be supported as basic research.

Forensic collection of trace chemicals from diverse surfaces with strippable coatings.

PubMed

Jakubowski, Michael J; Beltis, Kevin J; Drennan, Paul M; Pindzola, Bradford A

2013-11-07

Surface sampling for chemical analysis plays a vital role in environmental monitoring, industrial hygiene, homeland security and forensics. The standard surface sampling tool, a simple cotton gauze pad, is failing to meet the needs of the community as analytical techniques become more sensitive and the variety of analytes increases. In previous work, we demonstrated the efficacy of non-destructive, conformal, spray-on strippable coatings for chemical collection from simple glass surfaces. Here we expand that work by presenting chemical collection at a low spiking level (0.1 g m(-2)) from a diverse array of common surfaces - painted metal, engineering plastics, painted wallboard and concrete - using strippable coatings. The collection efficiency of the strippable coatings is compared to and far exceeds gauze pads. Collection from concrete, a particular challenge for wipes like gauze, averaged 73% over eight chemically diverse compounds for the strippable coatings whereas gauze averaged 10%.

Correlation among electronegativity, cation polarizability, optical basicity and single bond strength of simple oxides

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

Dimitrov, Vesselin, E-mail: vesselin@uctm.edu; Komatsu, Takayuki, E-mail: komatsu@mst.nagaokaut.ac.jp

2012-12-15

A suitable relationship between free-cation polarizability and electronegativity of elements in different valence states and with the most common coordination numbers has been searched on the basis of the similarity in physical nature of both quantities. In general, the cation polarizability increases with decreasing element electronegativity. A systematic periodic change in the polarizability against the electronegativity has been observed in the isoelectronic series. It has been found that generally the optical basicity increases and the single bond strength of simple oxides decreases with decreasing the electronegativity. The observed trends have been discussed on the basis of electron donation ability ofmore » the oxide ions and type of chemical bonding in simple oxides. - Graphical abstract: This figure shows the single bond strength of simple oxides as a function of element electronegativity. A remarkable correlation exists between these independently obtained quantities. High values of electronegativity correspond to high values of single bond strength and vice versa. It is obvious that the observed trend in this figure is closely related to the type of chemical bonding in corresponding oxide. Highlights: Black-Right-Pointing-Pointer A suitable relationship between free-cation polarizability and electronegativity of elements was searched. Black-Right-Pointing-Pointer The cation polarizability increases with decreasing element electronegativity. Black-Right-Pointing-Pointer The single bond strength of simple oxides decreases with decreasing the electronegativity. Black-Right-Pointing-Pointer The observed trends were discussed on the basis of type of chemical bonding in simple oxides.« less

Adaptive inferential sensors based on evolving fuzzy models.

PubMed

Angelov, Plamen; Kordon, Arthur

2010-04-01

A new technique to the design and use of inferential sensors in the process industry is proposed in this paper, which is based on the recently introduced concept of evolving fuzzy models (EFMs). They address the challenge that the modern process industry faces today, namely, to develop such adaptive and self-calibrating online inferential sensors that reduce the maintenance costs while keeping the high precision and interpretability/transparency. The proposed new methodology makes possible inferential sensors to recalibrate automatically, which reduces significantly the life-cycle efforts for their maintenance. This is achieved by the adaptive and flexible open-structure EFM used. The novelty of this paper lies in the following: (1) the overall concept of inferential sensors with evolving and self-developing structure from the data streams; (2) the new methodology for online automatic selection of input variables that are most relevant for the prediction; (3) the technique to detect automatically a shift in the data pattern using the age of the clusters (and fuzzy rules); (4) the online standardization technique used by the learning procedure of the evolving model; and (5) the application of this innovative approach to several real-life industrial processes from the chemical industry (evolving inferential sensors, namely, eSensors, were used for predicting the chemical properties of different products in The Dow Chemical Company, Freeport, TX). It should be noted, however, that the methodology and conclusions of this paper are valid for the broader area of chemical and process industries in general. The results demonstrate that well-interpretable and with-simple-structure inferential sensors can automatically be designed from the data stream in real time, which predict various process variables of interest. The proposed approach can be used as a basis for the development of a new generation of adaptive and evolving inferential sensors that can address the challenges of the modern advanced process industry.

Nanostructure-directed chemical sensing: The IHSAB principle and the dynamics of acid/base-interface interaction

PubMed Central

Laminack, William

2013-01-01

Summary Nanostructure-decorated n-type semiconductor interfaces are studied in order to develop chemical sensing with nanostructured materials. We couple the tenets of acid/base chemistry with the majority charge carriers of an extrinsic semiconductor. Nanostructured islands are deposited in a process that does not require self-assembly in order to direct a dominant electron-transduction process that forms the basis for reversible chemical sensing in the absence of chemical-bond formation. Gaseous analyte interactions on a metal-oxide-decorated n-type porous silicon interface show a dynamic electron transduction to and from the interface depending upon the relative strength of the gas and metal oxides. The dynamic interaction of NO with TiO2, SnO2, NiO, CuxO, and AuxO (x >> 1), in order of decreasing acidity, demonstrates this effect. Interactions with the metal-oxide-decorated interface can be modified by the in situ nitridation of the oxide nanoparticles, enhancing the basicity of the decorated interface. This process changes the interaction of the interface with the analyte. The observed change to the more basic oxinitrides does not represent a simple increase in surface basicity but appears to involve a change in molecular electronic structure, which is well explained by using the recently developed IHSAB model. The optical pumping of a TiO2 and TiO2− xNx decorated interface demonstrates a significant enhancement in the ability to sense NH3 and NO2. Comparisons to traditional metal-oxide sensors are also discussed. PMID:23400337

Strategies for emission reduction of air pollutants produced from a chemical plant.

PubMed

Lee, Byeong-Kyu; Cho, Sung-Woong

2003-01-01

Various air pollution control (APC) techniques were employed in order to reduce emissions of air pollutants produced from chemical plants, which have many different chemical production facilities. For an emission reduction of acid gases, this study employed a method to improve solubility of pollutants by decreasing the operating temperature of the scrubbers, increasing the surface area for effective contact of gas and liquid, and modifying processes in the acid scrubbers. To reduce emission of both amines and acid gases, pollutant gas components were first separated, then condensation and/or acid scrubbing, depending on the chemical and physical properties of pollutant components, were used. To reduce emission of solvents, condensation and activated carbon adsorption were employed. To reduce emission of a mixture gases containing acid gases and solvents, the mixed gases were passed into the first condenser, the acid scrubber, the second condenser, and the activated carbon adsorption tower in sequence. As a strategy to reduce emission of pollutants at the source, this study also employed the simple pollution prevention concept of modification of the previously operating APC control device. Finally, air emissions of pollutants produced from the chemical plants were much more reduced by applying proper APC methods, depending upon the types (physical or chemical properties) and the specific emission situations of pollutants.

Screening level risk assessment model for chemical fate and effects in the environment.

PubMed

Arnot, Jon A; Mackay, Don; Webster, Eva; Southwood, Jeanette M

2006-04-01

A screening level risk assessment model is developed and described to assess and prioritize chemicals by estimating environmental fate and transport, bioaccumulation, and exposure to humans and wildlife for a unit emission rate. The most sensitive risk endpoint is identified and a critical emission rate is then calculated as a result of that endpoint being reached. Finally, this estimated critical emission rate is compared with the estimated actual emission rate as a risk assessment factor. This "back-tracking" process avoids the use of highly uncertain emission rate data as model input. The application of the model is demonstrated in detail for three diverse chemicals and in less detail for a group of 70 chemicals drawn from the Canadian Domestic Substances List. The simple Level II and the more complex Level III fate calculations are used to "bin" substances into categories of similar probable risk. The essential role of the model is to synthesize information on chemical and environmental properties within a consistent mass balance framework to yield an overall estimate of screening level risk with respect to the defined endpoint. The approach may be useful to identify and prioritize those chemicals of commerce that are of greatest potential concern and require more comprehensive modeling and monitoring evaluations in actual regional environments and food webs.

Role of primary sedimentation on plant-wide energy recovery and carbon footprint.

PubMed

Gori, Riccardo; Giaccherini, Francesca; Jiang, Lu-Man; Sobhani, Reza; Rosso, Diego

2013-01-01

The goal of this paper is to show the effect of primary sedimentation on the chemical oxygen demand (COD) and solids fractionation and consequently on the carbonaceous and energy footprints of wastewater treatment processes. Using a simple rational procedure for COD and solids fraction quantification, we quantify the effects of varying fractions on CO2 and CO2-equivalent mass flows, process energy demand and energy recovery. Then we analysed two treatment plants with similar biological nutrient removal processes in two different climatic regions and quantified the net benefit of gravity separation before biological treatment. In the cases analysed, primary settling increases the solid fraction of COD that is processed in anaerobic digestion, with an associated increase in biogas production and energy recovery, and a reduction in overall emissions of CO2 and CO2-equivalent from power importation.

Results of chemical decontamination of DOE`s uranium-enrichment scrap metal

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

Levesque, R.G.

1997-02-01

The CORPEX{reg_sign} Nuclear Decontamination Processes were used to decontaminate representative scrap metal specimens obtained from the existing scrap metal piles located at the Department of Energy (DOE) Portsmouth Gaseous Diffusion Plant (PORTS), Piketon, Ohio. In September 1995, under contract to Lockheed Martin Energy Systems, MELE Associates, Inc. performed the on-site decontamination demonstration. The decontamination demonstration proved that significant amounts of the existing DOE scrap metal can be decontaminated to levels where the scrap metal could be economically released by DOE for beneficial reuse. This simple and environmentally friendly process can be used as an alternative, or in addition to, smeltingmore » radiologically contaminated scrap metal.« less

Surface modification of a polyimide gate insulator with an yttrium oxide interlayer for aqueous-solution-processed ZnO thin-film transistors.

PubMed

Jang, Kwang-Suk; Wee, Duyoung; Kim, Yun Ho; Kim, Jinsoo; Ahn, Taek; Ka, Jae-Won; Yi, Mi Hye

2013-06-11

We report a simple approach to modify the surface of a polyimide gate insulator with an yttrium oxide interlayer for aqueous-solution-processed ZnO thin-film transistors. It is expected that the yttrium oxide interlayer will provide a surface that is more chemically compatible with the ZnO semiconductor than is bare polyimde. The field-effect mobility and the on/off current ratio of the ZnO TFT with the YOx/polyimide gate insulator were 0.456 cm(2)/V·s and 2.12 × 10(6), respectively, whereas the ZnO TFT with the polyimide gate insulator was inactive.

Role of N-methyl-2-pyrrolidone for preparation of Fe3O4@SiO2 controlled the shell thickness

NASA Astrophysics Data System (ADS)

Wee, Sung-Bok; Oh, Hyeon-Cheol; Kim, Tae-Gyun; An, Gye-Seok; Choi, Sung-Churl

2017-04-01

We developed a simple and novel approach for the synthesis of Fe3O4@SiO2 nanoparticles with controlled shell thickness, and studied the mechanism. The introduction of N-methyl-2-pyrrolidone (NMP) led to trapping of monomer nuclei in single shell and controlled the shell thickness. Fe3O4@SiO2 controlled the shell thickness, showing a high magnetization value (64.47 emu/g). Our results reveal the role and change in the chemical structure of NMP during the core-shell synthesis process. NMP decomposed to 4-aminobutanoic acid in alkaline condition and decreased the hydrolysis rate of the silica coating process.

Facile and green fabrication of cellulosed based aerogels for lampblack filtration from waste newspaper.

PubMed

Fan, Peidong; Yuan, Yali; Ren, Junkai; Yuan, Bin; He, Qian; Xia, Guangmei; Chen, Fengxia; Song, Rui

2017-04-15

In this study, the lightweight, hydrophobic and porous cellulose-based aerogels (CAGs) were synthesized through a freeze-drying process using waste newspaper as the only raw material. After crosslinking with glutaraldehyde and treatment with trimethylchlorosilane (TMCS) using a simple thermal chemical vapor deposition process, the resulting CAGs became hydrophobic and oleophilic. Furthermore, the as-prepared CAGs exhibited a low density (17.4-28.7mgcm -3 ) and mesoporous inner-structure. All these properties attributed the novel aerogel not only with a good adsorption capability of oils and organic solvents, including kerosene, nitrobenzene, and chloroform, but also an excellent filtration capacity of lampblack. Copyright © 2017 Elsevier Ltd. All rights reserved.

CADDIS Volume 2. Sources, Stressors and Responses: Simple and Detailed Conceptual Model Diagram Downloads

EPA Pesticide Factsheets

Simple and detailed conceptual model diagram and associated narrative for ammonia, dissolved oxygen, flow alteration, herbicides, insecticides, ionic strength, metals, nutrients, ph, physical habitat, sediments, temperature, unspecified toxic chemicals.

Europa's Crust and Ocean: Origin, Composition, and the Prospects for Life

USGS Publications Warehouse

Kargel, J.S.; Kaye, J.Z.; Head, J. W.; Marion, G.M.; Sassen, R.; Crowley, J.K.; Ballesteros, O.P.; Grant, S.A.; Hogenboom, D.L.

2000-01-01

We have considered a wide array of scenarios for Europa's chemical evolution in an attempt to explain the presence of ice and hydrated materials on its surface and to understand the physical and chemical nature of any ocean that may lie below. We postulate that, following formation of the jovian system, the europan evolutionary sequence has as its major links: (a) initial carbonaceous chondrite rock, (b) global primordial aqueous differentiation and formation of an impure primordial hydrous crust, (c) brine evolution and intracrustal differentiation, (d) degassing of Europa's mantle and gas venting, (e) hydrothermal processes, and (f) chemical surface alteration. Our models were developed in the context of constraints provided by Galileo imaging, near infrared reflectance spectroscopy, and gravity and magnetometer data. Low-temperature aqueous differentiation from a carbonaceous CI or CM chondrite precursor, without further chemical processing, would result in a crust/ocean enriched in magnesium sulfate and sodium sulfate, consistent with Galileo spectroscopy. Within the bounds of this simple model, a wide range of possible layered structures may result; the final state depends on the details of intracrustal differentiation. Devolatilization of the rocky mantle and hydrothermal brine reactions could have produced very different ocean/crust compositions, e.g., an ocean/crust of sodium carbonate or sulfuric acid, or a crust containing abundant clathrate hydrates. Realistic chemical-physical evolution scenarios differ greatly in detailed predictions, but they generally call for a highly impure and chemically layered crust. Some of these models could lead also to lateral chemical heterogeneities by diapiric upwellings and/or cryovolcanism. We describe some plausible geological consequences of the physical-chemical structures predicted from these scenarios. These predicted consequences and observed aspects of Europa's geology may serve as a basis for further analys is and discrimination among several alternative scenarios. Most chemical pathways could support viable ecosystems based on analogy with the metabolic and physiological versatility of terrestrial microorganisms. ?? 2000 Academic Press.

Influence of dielectric barrier discharge treatment on mechanical and dyeing properties of wool

NASA Astrophysics Data System (ADS)

Rahul, NAVIK; Sameera, SHAFI; Md Miskatul, ALAM; Md Amjad, FAROOQ; Lina, LIN; Yingjie, CAI

2018-06-01

Physical and chemical properties of wool surface significantly affect the absorbency, rate of dye bath exhaustion and fixation of the industrial dyes. Hence, surface modification is a necessary operation prior to coloration process in wool wet processing industries. Plasma treatment is an effective alternative for physiochemical modification of wool surface. However, optimum processing parameters to get the expected modification are still under investigation, hence this technology is still under development in the wool wet processing industries. Therefore, in this paper, treatment parameters with the help of simple dielectric barrier discharge plasma reactor and air as a plasma gas, which could be a promising combination for treatment of wool substrate at industrial scale were schematically studied, and their influence on the water absorbency, mechanical, and dyeing properties of twill woven wool fabric samples are reported. It is expected that the results will assist to the wool coloration industries to improve the dyeing processes.

Biological removal of NOx from flue gas.

PubMed

Kumaraswamy, R; Muyzer, G; Kuenen, J G; Loosdrecht, M C M

2004-01-01

BioDeNOx is a novel integrated physico-chemical and biological process for the removal of nitrogen oxides (NOx) from flue gas. Due to the high temperature of flue gas the process is performed at a temperature between 50-55 degrees C. Flue gas containing CO2, O2, SO2 and NOx, is purged through Fe(II)EDTA2- containing liquid. The Fe(II)EDTA2- complex effectively binds the NOx; the bound NOx is converted into N2 in a complex reaction sequence. In this paper an overview of the potential microbial reactions in the BioDeNOx process is discussed. It is evident that though the process looks simple, due to the large number of parallel potential reactions and serial microbial conversions, it is much more complex. There is a need for a detailed investigation in order to properly understand and optimise the process.

A modified oxic-settling-anaerobic activated sludge process using gravity thickening for excess sludge reduction

NASA Astrophysics Data System (ADS)

Wang, Jun; Li, Shi-Yu; Jiang, Feng; Wu, Ke; Liu, Guang-Li; Lu, Hui; Chen, Guang-Hao

2015-09-01

Oxic-settling-anaerobic process (OSA) was known as a cost-effective way to reduce the excess sludge production with simple upgrade of conventional activated sludge process (CAS). A low oxidation-reduction potential (ORP) level was the key factor to sludge decay and lysis in the sludge holding tank of the OSA process. However, the ORP control with nitrogen purge or chemical dosing in the OSA process would induce extra expense and complicate the operation. Hence, in this study, a sludge holding tank using gravity thickening was applied to OSA process to reduce the excess sludge production without any ORP control. Results showed that the modified OSA process not only reduced the excess sludge production effectively but also improved the sludge settleability without affected the treatment capacity. The reduction of the excess sludge production in the modified OSA process resulted from interactions among lots of factors. The key element of the process was the gravity thickening sludge holding tank.

Could Martian Strawberries Be? -- Prebiotic Chemical Evolution on an Early Wet Mars

NASA Astrophysics Data System (ADS)

Lerman, L.

2005-03-01

The universality of chemical physics dictates the ubiquity of bubbles, aerosols, and droplets on planets with water and simple amphiphiles. Their ability to functionally support prebiotic chemical evolution seems critical: on the early Earth and Mars, and quite likely for Titan and Europa.

On-site chemical pre-lithiation of S cathode at room temperature on a 3D nano-structured current collector

NASA Astrophysics Data System (ADS)

Wu, Yunwen; Momma, Toshiyuki; Ahn, Seongki; Yokoshima, Tokihiko; Nara, Hiroki; Osaka, Tetsuya

2017-10-01

This work reports a new chemical pre-lithiation method to fabricate lithium sulfide (Li2S) cathode. This pre-lithiation process is taken place simply by dropping the organolithium reagent lithium naphthalenide (Li+Naph-) on the prepared sulfur cathode. It is the first time realizing the room temperature chemical pre-lithaition reaction attributed by the 3D nanostructured carbon nanotube (CNT) current collector. It is confirmed that the Li2S cathode fabricated at room temperature showing higher capacity and lower hysteresis than the Li2S cathode fabricated at high temperature pre-lithiation. The pre-lithiated Li2S cathode at room temperature shows stable cycling performance with a 600 mAh g-1 capacity after 100 cycles at 0.1 C-rate and high capacity of 500 mAh g-1 at 2 C-rate. This simple on-site pre-lithiation method at room temperature is demonstrated to be applicable for the in-situ pre-lithiation in a Li metal free battery.

A survey of some regenerative physico-chemical life support technology

NASA Technical Reports Server (NTRS)

Wydeven, Theodore

1988-01-01

To date, manned spaceflight has used the relatively simple support methodology of bringing all the necessary water, oxygen, and food for the duration of the mission, and collecting and storing waste products for return to Earth. This is referred to as an open system. It was recognized early, as manned missions became longer and crew size increased, that the weight, volume, and transportation penalties of storing or routinely resupplying consumables would at some point become too expensive. Since the early 1960's regenerative ECLSS technology has been under development, and there now exists a foundation in both systems definition and subsystem technology to support long-duration manned missions. In many cases this development has reached the engineering prototype stage for physico-chemical subsystems and in this article some of these subsystems are described. Emphasis is placed on physico-chemical waste conversion and related processes which provide sustenance and not on environmental factors or subsystems, e.g., temperature and humidity control, spacecraft architecture, lighting, etc.

Use of valence band Auger electron spectroscopy to study thin film growth: oxide and diamond-like carbon films

NASA Astrophysics Data System (ADS)

Steffen, H. J.

1994-12-01

It is demonstrated how Auger line shape analysis with factor analysis (FA), least-squares fitting and even simple peak height measurements may provide detailed information about the composition, different chemical states and also defect concentration or crystal order. Advantage is taken of the capability of Auger electron spectroscopy to give valence band structure information with high surface sensitivity and the special aspect of FA to identify and discriminate quantitatively unknown chemical species. Valence band spectra obtained from Ni, Fe, Cr and NiFe40Cr20 during oxygen exposure at room temperature reveal the oxidation process in the initial stage of the thin layer formation. Furthermore, the carbon chemical states that were formed during low energy C(+) and Ne(+) ion irradiation of graphite are delineated and the evolution of an amorphous network with sp3 bonds is disclosed. The analysis represents a unique method to quantify the fraction of sp3-hybridized carbon in diamond-like materials.

Surface preparation of Ti-3Al-2.5V alloy tubes for welding using a fiber laser

NASA Astrophysics Data System (ADS)

Kumar, Aniruddha; Gupta, Mool C.

2009-11-01

Ti-3Al-2.5V tubes are widely used in aircraft hydraulic systems. Meticulous surface preparation before welding is necessary to obtain a sound weld involving these alloy tubes. Conventionally this is done by cleaning with environmentally malign toxic chemicals, such as, hydrofluoric acid and nitric acid. This paper describes the laser-cleaning process of the surface of these tubes with a fiber laser as a preparation for pulsed gas tungsten arc welding and results obtained. A simple one-dimensional heat equation has been solved to evaluate the temperature profile of the irradiated surface. It is shown that surface preparation by laser cleaning can be an environmentally friendly alternative process by producing acceptable welds with laser-processed tubes.

Mathematical Analysis and Optimization of Infiltration Processes

NASA Technical Reports Server (NTRS)

Chang, H.-C.; Gottlieb, D.; Marion, M.; Sheldon, B. W.

1997-01-01

A variety of infiltration techniques can be used to fabricate solid materials, particularly composites. In general these processes can be described with at least one time dependent partial differential equation describing the evolution of the solid phase, coupled to one or more partial differential equations describing mass transport through a porous structure. This paper presents a detailed mathematical analysis of a relatively simple set of equations which is used to describe chemical vapor infiltration. The results demonstrate that the process is controlled by only two parameters, alpha and beta. The optimization problem associated with minimizing the infiltration time is also considered. Allowing alpha and beta to vary with time leads to significant reductions in the infiltration time, compared with the conventional case where alpha and beta are treated as constants.

The possibility of multi-layer nanofabrication via atomic force microscope-based pulse electrochemical nanopatterning

NASA Astrophysics Data System (ADS)

Kim, Uk Su; Morita, Noboru; Lee, Deug Woo; Jun, Martin; Park, Jeong Woo

2017-05-01

Pulse electrochemical nanopatterning, a non-contact scanning probe lithography process using ultrashort voltage pulses, is based primarily on an electrochemical machining process using localized electrochemical oxidation between a sharp tool tip and the sample surface. In this study, nanoscale oxide patterns were formed on silicon Si (100) wafer surfaces via electrochemical surface nanopatterning, by supplying external pulsed currents through non-contact atomic force microscopy. Nanoscale oxide width and height were controlled by modulating the applied pulse duration. Additionally, protruding nanoscale oxides were removed completely by simple chemical etching, showing a depressed pattern on the sample substrate surface. Nanoscale two-dimensional oxides, prepared by a localized electrochemical reaction, can be defined easily by controlling physical and electrical variables, before proceeding further to a layer-by-layer nanofabrication process.

Molecular self-assembly on surfaces

NASA Astrophysics Data System (ADS)

Mateo-Marti, E.; Pradier, C. M.

2012-09-01

The aim of the present research is to study the interaction of biomolecules, among them single amino acids, on metallic and mineral surfaces, and their chemical reactivity by means of powerful surface science techniques. Therefore, the use of simple biomolecules gives fundamental and significant information, including an adequate control of biomolecule-surface interactions, which will be unattainable to develop with more complex molecules. Furthermore, these studies are focussed on the catalytic properties of different surfaces that could be involved in molecular self-organization processes and the formation of prebiotic organic compounds.

General Analytical Procedure for Determination of Acidity Parameters of Weak Acids and Bases

PubMed Central

Pilarski, Bogusław; Kaliszan, Roman; Wyrzykowski, Dariusz; Młodzianowski, Janusz; Balińska, Agata

2015-01-01

The paper presents a new convenient, inexpensive, and reagent-saving general methodology for the determination of pK a values for components of the mixture of diverse chemical classes weak organic acids and bases in water solution, without the need to separate individual analytes. The data obtained from simple pH-metric microtitrations are numerically processed into reliable pK a values for each component of the mixture. Excellent agreement has been obtained between the determined pK a values and the reference literature data for compounds studied. PMID:25692072

General analytical procedure for determination of acidity parameters of weak acids and bases.

PubMed

Pilarski, Bogusław; Kaliszan, Roman; Wyrzykowski, Dariusz; Młodzianowski, Janusz; Balińska, Agata

2015-01-01

The paper presents a new convenient, inexpensive, and reagent-saving general methodology for the determination of pK a values for components of the mixture of diverse chemical classes weak organic acids and bases in water solution, without the need to separate individual analytes. The data obtained from simple pH-metric microtitrations are numerically processed into reliable pK a values for each component of the mixture. Excellent agreement has been obtained between the determined pK a values and the reference literature data for compounds studied.

Hydrocyclone/Filter for Concentrating Biomarkers from Soil

NASA Technical Reports Server (NTRS)

Ponce, Adrian; Obenhuber, Donald

2008-01-01

The hydrocyclone-filtration extractor (HFE), now undergoing development, is a simple, robust apparatus for processing large amounts of soil to extract trace amounts of microorganisms, soluble organic compounds, and other biomarkers from soil and to concentrate the extracts in amounts sufficient to enable such traditional assays as cell culturing, deoxyribonucleic acid (DNA) analysis, and isotope analysis. Originally intended for incorporation into a suite of instruments for detecting signs of life on Mars, the HFE could also be used on Earth for similar purposes, including detecting trace amounts of biomarkers or chemical wastes in soils.

Assessing the response of Emerald Lake, an alpine watershed in Sequoia National Park, California, to acidification during snowmelt by using a simple hydrochemical model. Final report

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

Hooper, R.P.; West, C.T.; Peters, N.E.

1990-08-01

The authors constructed a simple, process-oriented model, called the Alpine Lake Forecaster (ALF), using data collected during the Integrated Watershed Study at Emerald Lake, Sequoia National Park, CA. The model was designed to answer questions concerning the impact of acid deposition on high-elevation watersheds in the Sierra Nevada, CA. ALF is able to capture the basic solute patterns in stream water during snowmelt in this alpine catchment where ground water is a minor contributor to stream flow. It includes an empirical representation of primary mineral weathering as the only alkalinity-generating mechanism. Hydrologic and chemical data from a heavy snow yearmore » were used to calibrate the model. Watershed processes during a light snow year appeared to be different from the calibration year. The model forecast concludes that stream and lake water are most likely to experience a loss of ANC and depression in pH during spring rain storms that occur during the snowmelt dilution phase.« less

Synthesis of Metal Oxide Nanomaterials for Chemical Sensors by Molecular Beam Epitaxy

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

Nandasiri, Manjula I.; Kuchibhatla, Satyanarayana V N T; Thevuthasan, Suntharampillai

2013-12-01

Since the industrial revolution, detection and monitoring of toxic matter, chemical wastes, and air pollutants has become an important environmental issue. Thus, it leads to the development of chemical sensors for various environmental applications. The recent disastrous oil spills over the near-surface of ocean due to the offshore drilling emphasize the use of chemical sensors for prevention and monitoring of the processes that might lead to these mishaps.1, 2 Chemical sensors operated on a simple principle that the sensing platform undergoes a detectable change when exposed to the target substance to be sensed. Among all the types of chemical sensors,more » solid state gas sensors have attracted a great deal of attention due to their advantages such as high sensitivity, greater selectivity, portability, high stability and low cost.3, 4 Especially, semiconducting metal oxides such as SnO2, TiO2, and WO3 have been widely used as the active sensing platforms in solid state gas sensors.5 For the enhanced properties of solid state gas sensors, finding new sensing materials or development of existing materials will be needed. Thus, nanostructured materials such as nanotubes,6-8 nanowires,9-11 nanorods,12-15 nanobelts,16, 17 and nano-scale thin films18-23 have been synthesized and studied for chemical sensing applications.« less

A Salicylate Sympathetic Ink from Consumer Chemicals

ERIC Educational Resources Information Center

Journal of Chemical Education, 2005

2005-01-01

A new sympathetic ink that produces a violet color upon development was developed to develop chemical demonstrations using consumer chemicals. The demonstration was to have a simple, relatively safe reagent system that could be used to make a brightly colored, highly visible "magic sign" for use in science outreach programs.

A FLUORESCENCE BASED ASSAY FOR DNA DAMAGE INDUCED BY TOXIC INDUSTRIAL CHEMICALS

EPA Science Inventory

One of the reported effects for exposure to many of the toxic industrial chemicals is DNA damage. The present study describes a simple, rapid and innovative assay to detect DNA damage resulting from exposure of surrogate DNA to toxic industrial chemicals (acrolein, allylamine, ch...

Notes: Water Flow and Chemical Retardation in Soils: A Simple Effective Laboratory Demonstration.

ERIC Educational Resources Information Center

Bowman, R. S.; And Others

1988-01-01

Describes a laboratory demonstration that illustrates principles of miscible displacement and chemical retardation in soils. Discusses how the experimental apparatus can be constructed from readily available materials. (TW)

What Hydra can teach us about chemical ecology -how a simple, soft organism survives in a hostile aqueous environment.

PubMed

Rachamim, Tamar; Sher, Daniel

2012-01-01

Hydra and its fellow cnidarians - sea anemones, corals and jellyfish - are simple, mostly sessile animals that depend on bioactive chemicals for survival. In this review, we briefly describe what is known about the chemical armament of Hydra, and detail future research directions where Hydra can help illuminate major questions in chemical ecology, pharmacology, developmental biology and evolution. Focusing on two groups of putative toxins from Hydra - phospholipase A2s and proteins containing ShK and zinc metalloprotease domains, we ask: how do different venom components act together during prey paralysis? How is a venom arsenal created and how does it evolve? How is the chemical arsenal delivered to its target? To what extent does a chemical and biotic coupling exist between an organism and its environment? We propose a model whereby in Hydra and other cnidarians, bioactive compounds are secreted both as localized point sources (nematocyte discharges) and across extensive body surfaces, likely combining to create complex "chemical landscapes". We speculate that these cnidarian-derived chemical landscapes may affect the surrounding community on scales from microns to, in the case of coral reefs, hundreds of kilometers.

Concentration of simple aldehydes by sulfite-containing double-layer hydroxide minerals: implications for biopoesis

NASA Technical Reports Server (NTRS)

Pitsch, S.; Krishnamurthy, R.; Arrhenius, G.; Bada, J. L. (Principal Investigator)

2000-01-01

Environmental conditions play an important role in conceptual studies of prebiotically relevant chemical reactions that could have led to functional biomolecules. The necessary source compounds are likely to have been present in dilute solution, raising the question of how to achieve selective concentration and to reach activation. With the assumption of an initial 'RNA World', the questions of production, concentration, and interaction of aldehydes and aldehyde phosphates, potential precursors of sugar phosphates, come into the foreground. As a possible concentration process for simple, uncharged aldehydes, we investigated their adduct formation with sulfite ion bound in the interlayer of positively charged expanding-sheet-structure double-layer hydroxide minerals. Minerals of this type, initially with chloride as interlayer counter anion, have previously been shown to induce concentration and subsequent aldolization of aldehyde phosphates to form tetrose, pentose, and hexose phosphates. The reversible uptake of the simple aldehydes formaldehyde, glycolaldehyde, and glyceraldehyde by adduct formation with the immobilized sulfite ions is characterized by equilibrium constants of K=1.5, 9, and 11, respectively. This translates into an observable uptake at concentrations exceeding 50 mM.

Chemical variations within and between the clasts, and the matrix of the Abee enstatite chondrite suggest an impact-based differentiation mechanism

NASA Astrophysics Data System (ADS)

Higgins, Michael D.; Martin, Pierre-Etienne M. C.

2018-01-01

Abee is an enstatite chondrite breccia dominantly composed of kamacite, enstatite, silica, plagioclase, troilite and niningerite. Clasts are up to 220 mm long and vary in shape from angular to rounded. Some clasts are zoned with kamacite-enriched rims that follow the edge of the clast. Spatial compositional variations were examined in a small block to find out more about the petrological processes that produced this rock, particularly the relationship between the clasts, the matrix and the cores/rims of the zoned clasts. Compositional maps produced using a focussed-beam XRF were segmented into clasts and matrix, and rims and cores where possible. Compositions of most clasts, matrix and rim/cores define a simple, linear trend on simple variation diagrams. If it is assumed that all components were derived from an original homogeneous composition then the variation can be explained either by addition of kamacite or by loss of all other phases. Within this overall compositional variation the kamacite content generally increases as follows: matrix < large homogeneous clasts ≈ zoned clast cores < small homogeneous clasts ≈ zoned clast rims. Production of diversity by addition of kamacite to clasts and rim seems to require a complex history as the source cannot have been the current matrix. It is also difficult to produce the observed chemical variations and zoning by partial melting. However, differentiation by removal of all non-metallic phases may result from repeated impacts: Shock waves would deform kamacite whilst fracturing all other phases. The broken grains would then migrate towards the surface of the clasts where they would spall off into the matrix. This process would also lead to the observed rounding of some clasts. We propose that this shock-differentiation process be called 'smithing', as it resembles the ancient process of iron refining.

Complex Protostellar Chemistry

NASA Technical Reports Server (NTRS)

Nuth, Joseph A., III; Johnson, Natasha M.

2012-01-01

Two decades ago, our understanding of the chemistry in protostars was simple-matter either fell into the central star or was trapped in planetary-scale objects. Some minor chemical changes might occur as the dust and gas fell inward, but such effects were overwhelmed by the much larger scale processes that occurred even in bodies as small as asteroids. The chemistry that did occur in the nebula was relatively easy to model because the fall from the cold molecular cloud into the growing star was a one-way trip down a well-known temperature-pressure gradient; the only free variable was time. However, just over 10 years ago it was suggested that some material could be processed in the inner nebula, flow outward, and become incorporated into comets (1, 2). This outward flow was confirmed when the Stardust mission returned crystalline mineral fragments (3) from Comet Wild 2 that must have been processed close to the Sun before they were incorporated into the comet. In this week's Science Express, Ciesla and Sandford (4) demonstrate that even the outermost regions of the solar nebula can be a chemically active environment. Their finding could have consequences for the rest of the nebula.

Improving profitability through slurry management: a look at the impact of slurry pH on various glass types

NASA Astrophysics Data System (ADS)

Hooper, Abigail R.; Boffa, Christopher C.; Sarkas, Harry W.; Cureton, Kevin

2015-08-01

When building an optical system, optical fabricators and designers meticulously choose the glass types for their application knowing that each one will have different chemical, thermal and mechanical properties. As the requirements for new optical systems have grown more demanding, the range of available glass types has vastly expanded and the specifications on the produced products have grown tighter. In an attempt to simplify processes and streamline consumable purchases, optical polishing houses often rely on one polishing slurry to manage these vast array of glass types. An unforeseen consequence of these practices can be a reduction in productivity by reduced removal rate, poor yields and frequent rework all translating into higher costs and reduced profitability. In this paper, the authors will examine the impact slurry pH has on glass types of different compositions and chemical, thermal and mechanical properties when using a double-sided polishing process. Experiments will use material removal rate, surface quality, and surface figure to provide insight into improving process control for differing glass types. Further guidance will be provided on how simple on-site monitoring and adjustment can deliver improved profitability on challenging substrates.

Thermohydrology of fractured geologic materials

NASA Astrophysics Data System (ADS)

Esh, David Whittaker

1998-11-01

Thermohydrological and thermohydrochemical modeling as applied to the disposal of radioactive materials in a geologic repository is presented. Site hydrology, chemistry, and mineralogy were summarized and conceptual models of the fundamental system processes were developed. The numerical model TOUGH2 was used to complete computer simulations of thermohydrological processes in fractured, geologic media. Sensitivity studies investigating the impact of dimensionality and different conceptual models to represent fractures (ECM, DK, MINC) on thermohydrological response were developed. Sensitivity to parameter variation within a given conceptual model was also considered. The sensitivity of response was examined against thermohydrological metrics derived from the flow and redistribution of moisture. A simple thermohydrochemical model to investigate a three-process coupling (thermal-hydrological-chemical) was presented. The redistribution of chloride was evaluated because the chemical behavior is well known and defensible. In addition, it is very important to overall system performance. For all of the simulations completed, chloride was found to be extremely concentrated in the fluids that eventually return to the engineered barrier system. Chloride concentration and mass flux were increased from ambient by over a factor of 1000 for some simulations. Thermohydrology was found to have the potential to significantly alter chemistry from ambient conditions.

Biofilm reactors for industrial bioconversion processes: employing potential of enhanced reaction rates

PubMed Central

Qureshi, Nasib; Annous, Bassam A; Ezeji, Thaddeus C; Karcher, Patrick; Maddox, Ian S

2005-01-01

This article describes the use of biofilm reactors for the production of various chemicals by fermentation and wastewater treatment. Biofilm formation is a natural process where microbial cells attach to the support (adsorbent) or form flocs/aggregates (also called granules) without use of chemicals and form thick layers of cells known as "biofilms." As a result of biofilm formation, cell densities in the reactor increase and cell concentrations as high as 74 gL-1 can be achieved. The reactor configurations can be as simple as a batch reactor, continuous stirred tank reactor (CSTR), packed bed reactor (PBR), fluidized bed reactor (FBR), airlift reactor (ALR), upflow anaerobic sludge blanket (UASB) reactor, or any other suitable configuration. In UASB granular biofilm particles are used. This article demonstrates that reactor productivities in these reactors have been superior to any other reactor types. This article describes production of ethanol, butanol, lactic acid, acetic acid/vinegar, succinic acid, and fumaric acid in addition to wastewater treatment in the biofilm reactors. As the title suggests, biofilm reactors have high potential to be employed in biotechnology/bioconversion industry for viable economic reasons. In this article, various reactor types have been compared for the above bioconversion processes. PMID:16122390

Polyphenols in foods are more complex than often thought.

PubMed

Cheynier, Véronique

2005-01-01

Dietary polyphenols show a great diversity of structures, ranging from rather simple molecules (monomers and oligomers) to polymers. Higher-molecular-weight structures (with molecular weights of > 500) are usually designated as tannins, which refers to their ability to interact with proteins. Among them, condensed tannins (proanthocyanidins) are particularly important because of their wide distribution in plants and their contributions to major food qualities. All phenolic compounds are highly unstable and rapidly transformed into various reaction products when the plant cells are damaged (for instance, during food processing), thus adding to the complexity of dietary polyphenol composition. The polyphenol composition of plant-derived foods and beverages depends on that of the raw material used but also on the extraction process and subsequent biochemical and chemical reactions of plant polyphenols. The occurrence of specific tannin-like compounds (ie, thearubigins and theaflavins) arising from enzymatic oxidation is well documented in black tea. Various chemical reactions involving anthocyanins and/or flavanols have been demonstrated to occur during red wine aging. Current knowledge regarding the reaction mechanisms involved in some of these processes and the structures of the resulting products is reviewed. Their effects on organoleptic and nutritional quality are also discussed.

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

Bala, Greg Alan; Bruhn, Debby Fox; Fox, Sandra Lynn

Utilization of surfactants for improved oil recovery (IOR) is an accepted technique with high potential. However, technology application is frequently limited by cost. Biosurfactants (surface-active molecules produced by microorganisms) are not widely utilized in the petroleum industry due to high production costs associated with use of expensive substrates and inefficient product recovery methods. The economics of biosurfactant production could be significantly impacted through use of media optimization and application of inexpensive carbon substrates such as agricultural process residuals. Utilization of biosurfactants produced from agricultural residuals may 1) result in an economic advantage for surfactant production and technology application, and 2)more » convert a substantial agricultural waste stream to a value-added product for IOR. A biosurfactant with high potential for use is surfactin, a lipopeptide biosurfactant, produced by Bacillus subtilis. Reported here is the production and potential IOR utilization of surfactin produced by Bacillus subtilis (American Type Culture Collection (ATCC) 21332) from starch-based media. Production of surfactants from microbiological growth media based on simple sugars, chemically pure starch medium, simulated liquid and solid potato-process effluent media, a commercially prepared potato starch in mineral salts, and process effluent from a potato processor is discussed. Additionally, the effect of chemical and physical pretreatments on starchy feedstocks is discussed.« less

Introducing Students to Basic ChE Concepts: Four Simple Experiments.

ERIC Educational Resources Information Center

Fraser, Duncan M.

1999-01-01

Describes an Introduction to Chemical Engineering course with particular reference to the development, use, and evaluation of four simple experiments centered around the fundamental principles of heat transfer, mass transfer, reaction kinetics, and momentum transfer. (WRM)

Laboratory Needs for Interstellar Ice Studies

NASA Astrophysics Data System (ADS)

Boogert, Abraham C. A.

2012-05-01

A large fraction of the molecules in dense interstellar and circumstellar environments is stored in icy grain mantles. The mantles are formed by a complex interplay between chemical and physical processes. Key questions on the accretion and desorption processes and the chemistry on the grain surfaces and within the icy mantles can only be answered by laboratory experiments. Recent infrared (2-30 micron) spectroscopic surveys of large samples of Young Stellar Objects (YSOs) and background stars tracing quiescent cloud material have shown that the ice band profiles and depths vary considerably as a function of environment. Using laboratory spectra in the identification process, it is clear that a rather complex mixture of simple species (CH3OH, CO2, H2O, CO) exists even in the quiescent cloud phase. Variations of the local physical conditions (CO freeze out) and time scales (CH3OH formation) appear to be key factors in the observed variations. Sublimation and thermal processing dominate as YSOs heat their environments. The identification of several ice absorption features is still disputed. I will outline laboratory work (e.g., on salts, PAHs, and aliphatic hydrocarbons) needed to further constrain the ice band identification as well as the thermal and chemical history of the carriers. Such experiments will also be essential to interpret future high spectral resolution SOFIA and JWST observations.

Boron carbon nitride nanostructures from salt melts: tunable water-soluble phosphors.

PubMed

Lei, Weiwei; Portehault, David; Dimova, Rumiana; Antonietti, Markus

2011-05-11

A simple, high yield, chemical process is developed to fabricate layered h-BN nanosheets and BCNO nanoparticles with a diameter of ca. 5 nm at 700 °C. The use of the eutectic LiCl/KCl salt melt medium enhances the kinetics of the reaction between sodium borohydride and urea or guanidine as well as the dispersion of the nanoparticles in water. The carbon content can be tuned from 0 to 50 mol % by adjusting the reactant ratio, thus providing precise control of the light emission of the particles in the range 440-528 nm while reaching a quantum yield of 26%. Because of their green synthesis, low toxicity, small size, and stability against aggregation in water, the as-obtained photoluminescent BCNO nanoparticles show promise for diagnostics and optoelectronics. © 2011 American Chemical Society

Natural Organohalogens: A New Frontier for Medicinal Agents?

NASA Astrophysics Data System (ADS)

Gribble, Gordon W.

2004-10-01

More than 4000 naturally occurring organohalogen compounds are known. These include a relatively small number of abiogenic organohalogens from volcanoes, forest fires, geothermal processes, and meteorites, and a very large number of biogenic organohalogens produced by myriad living organisms as part of their chemical makeup that serve as hormones, pheromones, repellents, and natural pesticides. From the chemically simple methyl chloride, methyl bromide, and chloroform to the structurally complex vancomycin, pyrroindomycin, and bastadins, the diversity of these organohalogens is unsurpassed among natural products. Most natural organohalogens contain chlorine (2300) or bromine (2100), but a significant number contain iodine (120) or fluorine (30). Several hundred marine natural products contain both chlorine and bromine. The present article focuses on newly discovered biogenic organohalogens, with an emphasis on those biologically active examples from marine organisms, bacteria, terrestrial plants, and higher life forms including humans.

Electrical and optical characterization of green synthesized Gd2S3

NASA Astrophysics Data System (ADS)

Paul, Somnath; Sarkar, A.

2016-05-01

Gadolinium sulphide (Gd2S3) is a magnetic semiconductor with large band gap. Gd2S3 was synthesized following chemical and green techniques. Later process provides good stability of the nano clusters (NC) due to in-situ capping of Gd2S3 NC. It has been found that the optical band gap in Gd2S3 developed by green synthesis is lowered considerably over that in chemically synthesized Gd2S3. The green agencies used in this work are Jatropha Latex and dilute Garlic extract; both are enriched in sulphur and other organic polymer molecules. Simple observation shows that Gd2S3 NC retains residual magnetization. In this work optical and electrical characterization of the developed Gd2S3 specimens are carried out. The overall results obtained are good.

Optofluidic refractive-index sensors employing bent waveguide structures for low-cost, rapid chemical and biomedical sensing.

PubMed

Liu, I-Chen; Chen, Pin-Chuan; Chau, Lai-Kwan; Chang, Guo-En

2018-01-08

We propose and develop an intensity-detection-based refractive-index (RI) sensor for low-cost, rapid RI sensing. The sensor is composed of a polymer bent ridge waveguide (BRWG) structure on a low-cost glass substrate and is integrated with a microfluidic channel. Different-RI solutions flowing through the BRWG sensing region induce output optical power variations caused by optical bend losses, enabling simple and real-time RI detection. Additionally, the sensors are fabricated using rapid and cost-effective vacuum-less processes, attaining the low cost and high throughput required for mass production. A good RI solution of 5.31 10 -4 × RIU -1 is achieved from the RI experiments. This study demonstrates mass-producible and compact RI sensors for rapid and sensitive chemical analysis and biomedical sensing.

Silicon-Based Chemical Motors: An Efficient Pump for Triggering and Guiding Fluid Motion Using Visible Light.

PubMed

Esplandiu, Maria J; Farniya, Ali Afshar; Bachtold, Adrian

2015-11-24

We report a simple yet highly efficient chemical motor that can be controlled with visible light. The motor made from a noble metal and doped silicon acts as a pump, which is driven through a light-activated catalytic reaction process. We show that the actuation is based on electro-osmosis with the electric field generated by chemical reactions at the metal and silicon surfaces, whereas the contribution of diffusio-osmosis to the actuation is negligible. Surprisingly, the pump can be operated using water as fuel. This is possible because of the large ζ-potential of silicon, which makes the electro-osmotic fluid motion sizable even though the electric field generated by the reaction is weak. The electro-hydrodynamic process is greatly amplified with the addition of reactive species, such as hydrogen peroxide, which generates higher electric fields. Another remarkable finding is the tunability of silicon-based pumps. That is, it is possible to control the speed of the fluid with light. We take advantage of this property to manipulate the spatial distribution of colloidal microparticles in the liquid and to pattern colloidal microparticle structures at specific locations on a wafer surface. Silicon-based pumps hold great promise for controlled mass transport in fluids.

Modelling and characterization of primary settlers in view of whole plant and resource recovery modelling.

PubMed

Bachis, Giulia; Maruéjouls, Thibaud; Tik, Sovanna; Amerlinck, Youri; Melcer, Henryk; Nopens, Ingmar; Lessard, Paul; Vanrolleghem, Peter A

2015-01-01

Characterization and modelling of primary settlers have been neglected pretty much to date. However, whole plant and resource recovery modelling requires primary settler model development, as current models lack detail in describing the dynamics and the diversity of the removal process for different particulate fractions. This paper focuses on the improved modelling and experimental characterization of primary settlers. First, a new modelling concept based on particle settling velocity distribution is proposed which is then applied for the development of an improved primary settler model as well as for its characterization under addition of chemicals (chemically enhanced primary treatment, CEPT). This model is compared to two existing simple primary settler models (Otterpohl and Freund; Lessard and Beck), showing to be better than the first one and statistically comparable to the second one, but with easier calibration thanks to the ease with which wastewater characteristics can be translated into model parameters. Second, the changes in the activated sludge model (ASM)-based chemical oxygen demand fractionation between inlet and outlet induced by primary settling is investigated, showing that typical wastewater fractions are modified by primary treatment. As they clearly impact the downstream processes, both model improvements demonstrate the need for more detailed primary settler models in view of whole plant modelling.

Simple additive manufacturing of an osteoconductive ceramic using suspension melt extrusion.

PubMed

Slots, Casper; Jensen, Martin Bonde; Ditzel, Nicholas; Hedegaard, Martin A B; Borg, Søren Wiatr; Albrektsen, Ole; Thygesen, Torben; Kassem, Moustapha; Andersen, Morten Østergaard

2017-02-01

Craniofacial bone trauma is a leading reason for surgery at most hospitals. Large pieces of destroyed or resected bone are often replaced with non-resorbable and stock implants, and these are associated with a variety of problems. This paper explores the use of a novel fatty acid/calcium phosphate suspension melt for simple additive manufacturing of ceramic tricalcium phosphate implants. A wide variety of non-aqueous liquids were tested to determine the formulation of a storable 3D printable tricalcium phosphate suspension ink, and only fatty acid-based inks were found to work. A heated stearic acid-tricalcium phosphate suspension melt was then 3D printed, carbonized and sintered, yielding implants with controllable macroporosities. Their microstructure, compressive strength and chemical purity were analyzed with electron microscopy, mechanical testing and Raman spectroscopy, respectively. Mesenchymal stem cell culture was used to assess their osteoconductivity as defined by collagen deposition, alkaline phosphatase secretion and de-novo mineralization. After a rapid sintering process, the implants retained their pre-sintering shape with open pores. They possessed clinically relevant mechanical strength and were chemically pure. They supported adhesion of mesenchymal stem cells, and these were able to deposit collagen onto the implants, secrete alkaline phosphatase and further mineralize the ceramic. The tricalcium phosphate/fatty acid ink described here and its 3D printing may be sufficiently simple and effective to enable rapid, on-demand and in-hospital fabrication of individualized ceramic implants that allow clinicians to use them for treatment of bone trauma. Copyright © 2016 The Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

Spontaneous Charge Separation and Sublimation Processes are Ubiquitous in Nature and in Ionization Processes in Mass Spectrometry

NASA Astrophysics Data System (ADS)

Trimpin, Sarah; Lu, I.-Chung; Rauschenbach, Stephan; Hoang, Khoa; Wang, Beixi; Chubatyi, Nicholas D.; Zhang, Wen-Jing; Inutan, Ellen D.; Pophristic, Milan; Sidorenko, Alexander; McEwen, Charles N.

2018-02-01

Ionization processes have been discovered by which small and large as well as volatile and nonvolatile compounds are converted to gas-phase ions when associated with a matrix and exposed to sub-atmospheric pressure. Here, we discuss experiments further defining these simple and unexpected processes. Charge separation is found to be a common process for small molecule chemicals, solids and liquids, passed through an inlet tube from a higher to a lower pressure region, with and without heat applied. This charge separation process produces positively- and negatively-charged particles with widely different efficiencies depending on the compound and its physical state. Circumstantial evidence is presented suggesting that in the new ionization process, charged particles carry analyte into the gas phase, and desolvation of these particles produce the bare ions similar to electrospray ionization, except that solid particles appear likely to be involved. This mechanistic proposition is in agreement with previous theoretical work related to ion emission from ice.

CO oxidation as a prototypical reaction for heterogeneous processes.

PubMed

Freund, Hans-Joachim; Meijer, Gerard; Scheffler, Matthias; Schlögl, Robert; Wolf, Martin

2011-10-17

CO oxidation, although seemingly a simple chemical reaction, provides us with a panacea that reveals the richness and beauty of heterogeneous catalysis. The Fritz Haber Institute is a place where a multidisciplinary approach to study the course of such a heterogeneous reaction can be generated in house. Research at the institute is primarily curiosity driven, which is reflected in the five sections comprising this Review. We use an approach based on microscopic concepts to study the interaction of simple molecules with well-defined materials, such as clusters in the gas phase or solid surfaces. This approach often asks for the development of new methods, tools, and materials to prove them, and it is exactly this aspect, both, with respect to experiment and theory, that is a trade mark of our institute. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Heterogeneous distribution of metabolites across plant species

NASA Astrophysics Data System (ADS)

Takemoto, Kazuhiro; Arita, Masanori

2009-07-01

We investigate the distribution of flavonoids, a major category of plant secondary metabolites, across species. Flavonoids are known to show high species specificity, and were once considered as chemical markers for understanding adaptive evolution and characterization of living organisms. We investigate the distribution among species using bipartite networks, and find that two heterogeneous distributions are conserved among several families: the power-law distributions of the number of flavonoids in a species and the number of shared species of a particular flavonoid. In order to explain the possible origin of the heterogeneity, we propose a simple model with, essentially, a single parameter. As a result, we show that two respective power-law statistics emerge from simple evolutionary mechanisms based on a multiplicative process. These findings provide insights into the evolution of metabolite diversity and characterization of living organisms that defy genome sequence analysis for different reasons.

Hydrogels in a historical perspective: from simple networks to smart materials.

PubMed

Buwalda, Sytze J; Boere, Kristel W M; Dijkstra, Pieter J; Feijen, Jan; Vermonden, Tina; Hennink, Wim E

2014-09-28

Over the past decades, significant progress has been made in the field of hydrogels as functional biomaterials. Biomedical application of hydrogels was initially hindered by the toxicity of crosslinking agents and limitations of hydrogel formation under physiological conditions. Emerging knowledge in polymer chemistry and increased understanding of biological processes resulted in the design of versatile materials and minimally invasive therapies. Hydrogel matrices comprise a wide range of natural and synthetic polymers held together by a variety of physical or chemical crosslinks. With their capacity to embed pharmaceutical agents in their hydrophilic crosslinked network, hydrogels form promising materials for controlled drug release and tissue engineering. Despite all their beneficial properties, there are still several challenges to overcome for clinical translation. In this review, we provide a historical overview of the developments in hydrogel research from simple networks to smart materials. Copyright © 2014 Elsevier B.V. All rights reserved.

Simple method for quantifying microbiologically assisted chloramine decay in drinking water.

PubMed

Sathasivan, Arumugam; Fisher, Ian; Kastl, George

2005-07-15

In a chloraminated drinking water distribution system, monochloramine decays due to chemical and microbiological reactions. For modeling and operational control purposes, it is necessary to know the relative contribution of each type of reaction, but there was no method to quantify these contributions separately. A simple method was developed to do so. It compares monochloramine decay rates of processed (0.2 microm filtered or microbiologically inhibited by adding 100 microg of silver/L as silver nitrate) and unprocessed samples under controlled temperature conditions. The term microbial decay factor (Fm) was defined and derived from this method, to characterize the relative contribution of microbiologically assisted monochloramine decay to the total monochloramine decay observed in bulk water. Fm is the ratio between microbiologically assisted monochloramine decay and chemical decay of a given water sample measured at 20 degrees C. One possible use of the method is illustrated, where a service reservoir's bulk and inlet waters were sampled twice and analyzed for both the traditional indicators and the microbial decay factor. The microbial decay factor values alone indicated that more microbiologically assisted monochloramine decay was occurring in one bulk water than the other. In contrast, traditional nitrification indicators failed to show any difference. Further analysis showed that the microbial decay factor is more sensitive and that it alone can provide an early warning.

Clean Water for Developing Countries.

PubMed

Pandit, Aniruddha B; Kumar, Jyoti Kishen

2015-01-01

Availability of safe drinking water, a vital natural resource, is still a distant dream to many around the world, especially in developing countries. Increasing human activity and industrialization have led to a wide range of physical, chemical, and biological pollutants entering water bodies and affecting human lives. Efforts to develop efficient, economical, and technologically sound methods to produce clean water for developing countries have increased worldwide. We focus on solar disinfection, filtration, hybrid filtration methods, treatment of harvested rainwater, herbal water disinfection, and arsenic removal technologies. Simple, yet innovative water treatment devices ranging from use of plant xylem as filters, terafilters, and hand pumps to tippy taps designed indigenously are methods mentioned here. By describing the technical aspects of major water disinfection methods relevant for developing countries on medium to small scales and emphasizing their merits, demerits, economics, and scalability, we highlight the current scenario and pave the way for further research and development and scaling up of these processes. This review focuses on clean drinking water, especially for rural populations in developing countries. It describes various water disinfection techniques that are not only economically viable and energy efficient but also employ simple methodologies that are effective in reducing the physical, chemical, and biological pollutants found in drinking water to acceptable limits.

Facile multi-dimensional profiling of chemical gradients at the millimetre scale.

PubMed

Chen, Chih-Lin; Hsieh, Kai-Ta; Hsu, Ching-Fong; Urban, Pawel L

2016-01-07

A vast number of conventional physicochemical methods are suitable for the analysis of homogeneous samples. However, in various cases, the samples exhibit intrinsic heterogeneity. Tomography allows one to record approximate distributions of chemical species in the three-dimensional space. Here we develop a simple optical tomography system which enables performing scans of non-homogeneous samples at different wavelengths. It takes advantage of inexpensive open-source electronics and simple algorithms. The analysed samples are illuminated by a miniature LCD/LED screen which emits light at three wavelengths (598, 547 and 455 nm, corresponding to the R, G, and B channels, respectively). On presentation of every wavelength, the sample vial is rotated by ∼180°, and videoed at 30 frames per s. The RGB values of pixels in the obtained digital snapshots are subsequently collated, and processed to produce sinograms. Following the inverse Radon transform, approximate quasi-three-dimensional images are reconstructed for each wavelength. Sample components with distinct visible light absorption spectra (myoglobin, methylene blue) can be resolved. The system was used to follow dynamic changes in non-homogeneous samples in real time, to visualize binary mixtures, to reconstruct reaction-diffusion fronts formed during the reduction of 2,6-dichlorophenolindophenol by ascorbic acid, and to visualize the distribution of fungal mycelium grown in a semi-solid medium.

QSAR classification models for the prediction of endocrine disrupting activity of brominated flame retardants.

PubMed

Kovarich, Simona; Papa, Ester; Gramatica, Paola

2011-06-15

The identification of potential endocrine disrupting (ED) chemicals is an important task for the scientific community due to their diffusion in the environment; the production and use of such compounds will be strictly regulated through the authorization process of the REACH regulation. To overcome the problem of insufficient experimental data, the quantitative structure-activity relationship (QSAR) approach is applied to predict the ED activity of new chemicals. In the present study QSAR classification models are developed, according to the OECD principles, to predict the ED potency for a class of emerging ubiquitary pollutants, viz. brominated flame retardants (BFRs). Different endpoints related to ED activity (i.e. aryl hydrocarbon receptor agonism and antagonism, estrogen receptor agonism and antagonism, androgen and progesterone receptor antagonism, T4-TTR competition, E2SULT inhibition) are modeled using the k-NN classification method. The best models are selected by maximizing the sensitivity and external predictive ability. We propose simple QSARs (based on few descriptors) characterized by internal stability, good predictive power and with a verified applicability domain. These models are simple tools that are applicable to screen BFRs in relation to their ED activity, and also to design safer alternatives, in agreement with the requirements of REACH regulation at the authorization step. Copyright © 2011 Elsevier B.V. All rights reserved.

Fourier Transform Infrared Spectroscopy (FT-IR) and Simple Algorithm Analysis for Rapid and Non-Destructive Assessment of Developmental Cotton Fibers.

PubMed

Liu, Yongliang; Kim, Hee-Jin

2017-06-22

With cotton fiber growth or maturation, cellulose content in cotton fibers markedly increases. Traditional chemical methods have been developed to determine cellulose content, but it is time-consuming and labor-intensive, mostly owing to the slow hydrolysis process of fiber cellulose components. As one approach, the attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopy technique has also been utilized to monitor cotton cellulose formation, by implementing various spectral interpretation strategies of both multivariate principal component analysis (PCA) and 1-, 2- or 3-band/-variable intensity or intensity ratios. The main objective of this study was to compare the correlations between cellulose content determined by chemical analysis and ATR FT-IR spectral indices acquired by the reported procedures, among developmental Texas Marker-1 (TM-1) and immature fiber ( im ) mutant cotton fibers. It was observed that the R value, CI IR , and the integrated intensity of the 895 cm -1 band exhibited strong and linear relationships with cellulose content. The results have demonstrated the suitability and utility of ATR FT-IR spectroscopy, combined with a simple algorithm analysis, in assessing cotton fiber cellulose content, maturity, and crystallinity in a manner which is rapid, routine, and non-destructive.

Selective deposition of a crystalline Si film by a chemical sputtering process in a high pressure hydrogen plasma

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

Ohmi, Hiromasa, E-mail: ohmi@prec.eng.osaka-u.ac.jp; Yasutake, Kiyoshi; Research Center for Ultra-Precision Science and Technology, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871

2015-07-28

The selective deposition of Si films was demonstrated using a chemical sputtering process induced by a high pressure hydrogen plasma at 52.6 kPa (400 Torr). In this chemical sputtering process, the initial deposition rate (R{sub d}) is dependent upon the substrate type. At the initial stage of Si film formation, R{sub d} on glass substrates increased with elapsed time and reached to a constant value. In contrast, R{sub d} on Si substrates remained constant during the deposition. The selective deposition of Si films can be achieved by adjusting the substrate temperature (T{sub sub}) and hydrogen concentration (C{sub H2}) in the process atmosphere.more » For any given deposition time, it was found that an optimum C{sub H2} exists for a given T{sub sub} to realize the selective deposition of a Si film, and the optimum T{sub sub} value tends to increase with decreasing C{sub H2}. According to electron diffraction patterns obtained from the samples, the selectively prepared Si films showed epitaxial-like growth, although the Si films contained many defects. It was revealed by Raman scattering spectroscopy that some of the defects in the Si films were platelet defects induced by excess hydrogen incorporated during Si film formation. Raman spectrum also suggested that Si related radicals (SiH{sub 2}, SiH, Si) with high reactivity contribute to the Si film formation. Simple model was derived as the guideline for achieving the selective growth.« less

Chemical modification

Treesearch

R. M. Rowell

2004-01-01

Wood is a hygroscopic resource that was designed to perform, in nature, in a wet environment. Nature is programmed to recycle wood in a timely way through biological, thermal, aqueous, photochemical, chemical, and mechanical degradations. In simple terms, nature builds wood from carbon dioxide and water and has all the tools to recycle it back to the starting chemicals...

Active Ingredient - AZ

EPA Pesticide Factsheets

EPA Pesticide Chemical Search allows a user to easily find the pesticide chemical or active ingredient that they are interested in by using an array of simple to advanced search options. Chemical Search provides a single point of reference for easy access to information previously published in a variety of locations, including various EPA web pages and Regulations.gov.

Inventory Control: A Small Electronic Device for Studying Chemical Kinetics.

ERIC Educational Resources Information Center

Perez-Rodriguez, A. L.; Calvo-Aguilar, J. L.

1984-01-01

Shows how the rate of reaction can be studied using a simple electronic device that overcomes the difficulty students encounter in solving the differential equations describing chemical equilibrium. The device, used in conjunction with an oscilloscope, supplies the voltages that represent the chemical variables that take part in the equilibrium.…

Safety in the Chemical Laboratory

ERIC Educational Resources Information Center

Coffee, Robert D.

1972-01-01

The author discusses a system for establishing the relative potential of a chemical to release energy suddenly and to indicate release. This system is applicable to chemical storage and transportation. The system is based upon three simple tests requiring a minimum sample (1 go or 1 ml): (1) computation, (2) impact sensitivity, and (3) thermal…

Rapid, cool sintering of wet processed yttria-stabilized zirconia ceramic electrolyte thin films.

PubMed

Park, Jun-Sik; Kim, Dug-Joong; Chung, Wan-Ho; Lim, Yonghyun; Kim, Hak-Sung; Kim, Young-Beom

2017-09-29

Here we report a photonic annealing process for yttria-stabilized zirconia films, which are one of the most well-known solid-state electrolytes for solid oxide fuel cells (SOFCs). Precursor films were coated using a wet-chemical method with a simple metal-organic precursor solution and directly annealed at standard pressure and temperature by two cycles of xenon flash lamp irradiation. The residual organics were almost completely decomposed in the first pre-annealing step, and the fluorite crystalline phases and good ionic conductivity were developed during the second annealing step. These films showed properties comparable to those of thermally annealed films. This process is much faster than conventional annealing processes (e.g. halogen furnaces); a few seconds compared to tens of hours, respectively. The significance of this work includes the treatment of solid-state electrolyte oxides for SOFCs and the demonstration of the feasibility of other oxide components for solid-state energy devices.

The Friction Force Determination of Large-Sized Composite Rods in Pultrusion

NASA Astrophysics Data System (ADS)

Grigoriev, S. N.; Krasnovskii, A. N.; Kazakov, I. A.

2014-08-01

Nowadays, the simple pull-force models of pultrusion process are not suitable for large sized rods because they are not considered a chemical shrinkage and thermal expansion acting in cured material inside the die. But the pulling force of the resin-impregnated fibers as they travels through the heated die is essential factor in the pultrusion process. In order to minimize the number of trial-and-error experiments a new mathematical approach to determine the frictional force is presented. The governing equations of the model are stated in general terms and various simplifications are implemented in order to obtain solutions without extensive numerical efforts. The influence of different pultrusion parameters on the frictional force value is investigated. The results obtained by the model can establish a foundation by which process control parameters are selected to achieve an appropriate pull-force and can be used for optimization pultrusion process.

Ultralow percolation threshold of single walled carbon nanotube-epoxy composites synthesized via an ionic liquid dispersant/initiator

NASA Astrophysics Data System (ADS)

Watters, Arianna L.; Palmese, Giuseppe R.

2014-09-01

Uniform dispersion of single walled carbon nanotubes (SWNTs) in an epoxy was achieved by a streamlined mechano-chemical processing method. SWNT-epoxy composites were synthesized using a room temperature ionic liquid (IL) with an imidazolium cation and dicyanamide anion. The novel approach of using ionic liquid that behaves as a dispersant for SWNTs and initiator for epoxy polymerization greatly simplifies nanocomposite synthesis. The material was processed using simple and scalable three roll milling. The SWNT dispersion of the resultant composite was evaluated by electron microscopy and electrical conductivity measurements in conjunction with percolation theory. Processing conditions were optimized to achieve the lowest possible percolation threshold, 4.29 × 10-5 volume fraction SWNTs. This percolation threshold is among the best reported in literature yet it was obtained using a streamlined method that greatly simplifies processing.

Capillarity Guided Patterning of Microliquids.

PubMed

Kang, Myeongwoo; Park, Woohyun; Na, Sangcheol; Paik, Sang-Min; Lee, Hyunjae; Park, Jae Woo; Kim, Ho-Young; Jeon, Noo Li

2015-06-01

Soft lithography and other techniques have been developed to investigate biological and chemical phenomena as an alternative to photolithography-based patterning methods that have compatibility problems. Here, a simple approach for nonlithographic patterning of liquids and gels inside microchannels is described. Using a design that incorporates strategically placed microstructures inside the channel, microliquids or gels can be spontaneously trapped and patterned when the channel is drained. The ability to form microscale patterns inside microfluidic channels using simple fluid drain motion offers many advantages. This method is geometrically analyzed based on hydrodynamics and verified with simulation and experiments. Various materials (i.e., water, hydrogels, and other liquids) are successfully patterned with complex shapes that are isolated from each other. Multiple cell types are patterned within the gels. Capillarity guided patterning (CGP) is fast, simple, and robust. It is not limited by pattern shape, size, cell type, and material. In a simple three-step process, a 3D cancer model that mimics cell-cell and cell-extracellular matrix interactions is engineered. The simplicity and robustness of the CGP will be attractive for developing novel in vitro models of organ-on-a-chip and other biological experimental platforms amenable to long-term observation of dynamic events using advanced imaging and analytical techniques. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Simulation of anaerobic digestion processes using stochastic algorithm.

PubMed

Palanichamy, Jegathambal; Palani, Sundarambal

2014-01-01

The Anaerobic Digestion (AD) processes involve numerous complex biological and chemical reactions occurring simultaneously. Appropriate and efficient models are to be developed for simulation of anaerobic digestion systems. Although several models have been developed, mostly they suffer from lack of knowledge on constants, complexity and weak generalization. The basis of the deterministic approach for modelling the physico and bio-chemical reactions occurring in the AD system is the law of mass action, which gives the simple relationship between the reaction rates and the species concentrations. The assumptions made in the deterministic models are not hold true for the reactions involving chemical species of low concentration. The stochastic behaviour of the physicochemical processes can be modeled at mesoscopic level by application of the stochastic algorithms. In this paper a stochastic algorithm (Gillespie Tau Leap Method) developed in MATLAB was applied to predict the concentration of glucose, acids and methane formation at different time intervals. By this the performance of the digester system can be controlled. The processes given by ADM1 (Anaerobic Digestion Model 1) were taken for verification of the model. The proposed model was verified by comparing the results of Gillespie's algorithms with the deterministic solution for conversion of glucose into methane through degraders. At higher value of 'τ' (timestep), the computational time required for reaching the steady state is more since the number of chosen reactions is less. When the simulation time step is reduced, the results are similar to ODE solver. It was concluded that the stochastic algorithm is a suitable approach for the simulation of complex anaerobic digestion processes. The accuracy of the results depends on the optimum selection of tau value.

Catalytic Conversion of Renewable Resources into Bulk and Fine Chemicals.

PubMed

de Vries, Johannes G

2016-12-01

Several strategies can be chosen to convert renewable resources into chemicals. In this account, I exemplify the route that starts with so-called platform chemicals; these are relatively simple chemicals that can be produced in high yield, directly from renewable resources, either via fermentation or via chemical routes. They can be converted into the existing bulk chemicals in a very efficient manner using multistep catalytic conversions. Two examples are given of the conversion of sugars into nylon intermediates. 5-Hydroxymethylfurfural (HMF) can be prepared in good yield from fructose. Two hydrogenation steps convert HMF into 1,6-hexanediol. Oppenauer oxidation converts this product into caprolactone, which in the past, has been converted into caprolactam in a large-scale industrial process by reaction with ammonia. An even more interesting platform chemical is levulinic acid (LA), which can be obtained directly from lignocellulose in good yield by treatment with dilute sulfuric acid at 200°C. Hydrogenation converts LA into gamma-valerolactone, which is ring-opened and esterified in a gas-phase process to a mixture of isomeric methyl pentenoates in excellent selectivity. In a remarkable selective palladium-catalysed isomerising methoxycarbonylation, this mixture is converted in to dimethyl adipate, which is finally hydrolysed to adipic acid. Overall selectivities of both processes are extremely high. The conversion of lignin into chemicals is a much more complicated task in view of the complex nature of lignin. It was discovered that breakage of the most prevalent β-O-4 bond in lignin occurs not only via the well-documented C3 pathway, but also via a C2 pathway, leading to the formation of highly reactive phenylacetaldehydes. These compounds went largely unnoticed as they immediately recondense on lignin. We have now found that it is possible to prevent this by converting these aldehydes in a tandem reaction, as they are formed. For this purpose, we have used three different methods: acetalisation, hydrogenation, and decarbonylation. These reactions were first established in the tandem reactions of model compounds, but subsequently, we were able to show that this works equally well on organosolv lignin and even on lignocellulose. © 2016 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dynamic stiffness of chemically and physically ageing rubber vibration isolators in the audible frequency range. Part 1: constitutive equations

NASA Astrophysics Data System (ADS)

Kari, Leif

2017-09-01

The constitutive equations of chemically and physically ageing rubber in the audible frequency range are modelled as a function of ageing temperature, ageing time, actual temperature, time and frequency. The constitutive equations are derived by assuming nearly incompressible material with elastic spherical response and viscoelastic deviatoric response, using Mittag-Leffler relaxation function of fractional derivative type, the main advantage being the minimum material parameters needed to successfully fit experimental data over a broad frequency range. The material is furthermore assumed essentially entropic and thermo-mechanically simple while using a modified William-Landel-Ferry shift function to take into account temperature dependence and physical ageing, with fractional free volume evolution modelled by a nonlinear, fractional differential equation with relaxation time identical to that of the stress response and related to the fractional free volume by Doolittle equation. Physical ageing is a reversible ageing process, including trapping and freeing of polymer chain ends, polymer chain reorganizations and free volume changes. In contrast, chemical ageing is an irreversible process, mainly attributed to oxygen reaction with polymer network either damaging the network by scission or reformation of new polymer links. The chemical ageing is modelled by inner variables that are determined by inner fractional evolution equations. Finally, the model parameters are fitted to measurements results of natural rubber over a broad audible frequency range, and various parameter studies are performed including comparison with results obtained by ordinary, non-fractional ageing evolution differential equations.

Biofuels from microalgae.

PubMed

Li, Yanqun; Horsman, Mark; Wu, Nan; Lan, Christopher Q; Dubois-Calero, Nathalie

2008-01-01

Microalgae are a diverse group of prokaryotic and eukaryotic photosynthetic microorganisms that grow rapidly due to their simple structure. They can potentially be employed for the production of biofuels in an economically effective and environmentally sustainable manner. Microalgae have been investigated for the production of a number of different biofuels including biodiesel, bio-oil, bio-syngas, and bio-hydrogen. The production of these biofuels can be coupled with flue gas CO2 mitigation, wastewater treatment, and the production of high-value chemicals. Microalgal farming can also be carried out with seawater using marine microalgal species as the producers. Developments in microalgal cultivation and downstream processing (e.g., harvesting, drying, and thermochemical processing) are expected to further enhance the cost-effectiveness of the biofuel from microalgae strategy.

Efficient green methanol synthesis from glycerol

NASA Astrophysics Data System (ADS)

Haider, Muhammad H.; Dummer, Nicholas F.; Knight, David W.; Jenkins, Robert L.; Howard, Mark; Moulijn, Jacob; Taylor, Stuart H.; Hutchings, Graham J.

2015-12-01

The production of biodiesel from the transesterification of plant-derived triglycerides with methanol has been commercialized extensively. Impure glycerol is obtained as a by-product at roughly one-tenth the mass of the biodiesel. Utilization of this crude glycerol is important in improving the viability of the overall process. Here we show that crude glycerol can be reacted with water over very simple basic or redox oxide catalysts to produce methanol in high yields, together with other useful chemicals, in a one-step low-pressure process. Our discovery opens up the possibility of recycling the crude glycerol produced during biodiesel manufacture. Furthermore, we show that molecules containing at least two hydroxyl groups can be converted into methanol, which demonstrates some aspects of the generality of this new chemistry.

[Study on assistant cleaning of ultrasound for the ultrafiltration membrane].

PubMed

Zhang, Guojun; Liu, Zhongzhou

2003-11-01

The effects of ultrasounds with different frequency on membrane performance were investigated in this paper. The experimental results show that there were nearly no effects of 20 W ultrasound on membrane retention coefficient, but it decreased seriously when the ultrasound power was above 30 W. On the basis of these results, low frequency ultrasound (20 W) was introduced to assist the chemical cleaning in the ultrafiltration process of wastewater from bank note printing works. The cleaning time could be shortened from 20-30 min to 5 min by the ultra-liberation and ultra-blend effects of ultrasound, therefore, the cleaning efficiency was highly improved. However, the fouling substances could not be cleaned entirely in the simple physical cleaning process by SEM analysis.

Discrete stochastic simulation methods for chemically reacting systems.

PubMed

Cao, Yang; Samuels, David C

2009-01-01

Discrete stochastic chemical kinetics describe the time evolution of a chemically reacting system by taking into account the fact that, in reality, chemical species are present with integer populations and exhibit some degree of randomness in their dynamical behavior. In recent years, with the development of new techniques to study biochemistry dynamics in a single cell, there are increasing studies using this approach to chemical kinetics in cellular systems, where the small copy number of some reactant species in the cell may lead to deviations from the predictions of the deterministic differential equations of classical chemical kinetics. This chapter reviews the fundamental theory related to stochastic chemical kinetics and several simulation methods based on that theory. We focus on nonstiff biochemical systems and the two most important discrete stochastic simulation methods: Gillespie's stochastic simulation algorithm (SSA) and the tau-leaping method. Different implementation strategies of these two methods are discussed. Then we recommend a relatively simple and efficient strategy that combines the strengths of the two methods: the hybrid SSA/tau-leaping method. The implementation details of the hybrid strategy are given here and a related software package is introduced. Finally, the hybrid method is applied to simple biochemical systems as a demonstration of its application.

Astrochem: Abundances of chemical species in the interstellar medium

NASA Astrophysics Data System (ADS)

Maret, Sébastien; Bergin, Edwin A.

2015-07-01

Astrochem computes the abundances of chemical species in the interstellar medium, as function of time. It studies the chemistry in a variety of astronomical objects, including diffuse clouds, dense clouds, photodissociation regions, prestellar cores, protostars, and protostellar disks. Astrochem reads a network of chemical reactions from a text file, builds up a system of kinetic rates equations, and solves it using a state-of-the-art stiff ordinary differential equation (ODE) solver. The Jacobian matrix of the system is computed implicitly, so the resolution of the system is extremely fast: large networks containing several thousands of reactions are usually solved in a few seconds. A variety of gas phase process are considered, as well as simple gas-grain interactions, such as the freeze-out and the desorption via several mechanisms (thermal desorption, cosmic-ray desorption and photo-desorption). The computed abundances are written in a HDF5 file, and can be plotted in different ways with the tools provided with Astrochem. Chemical reactions and their rates are written in a format which is meant to be easy to read and to edit. A tool to convert the chemical networks from the OSU and KIDA databases into this format is also provided. Astrochem is written in C, and its source code is distributed under the terms of the GNU General Public License (GPL).

Characterization of Nano-Hydroxyapatite Synthesized from Sea Shells Through Wet Chemical Method

NASA Astrophysics Data System (ADS)

Santhosh, S.; Prabu, S. Balasivanandha

2012-10-01

Nano-hydroxyapatite (HA) was synthesized by a wet chemical reaction using powdered sea shells (CaO) as starting material which was converted to calcium hydroxide (Ca(OH)2) and subsequently reacted with phosphoric acid (H3PO4). Initially raw sea shells (CaCO3) were thermally converted to amorphous calcium oxide by heat treatment. Two sets of experiments were done; in the first experiment, HA powder was dried in an electric furnace and in the second experiment, the reactants were irradiated in a domestic microwave oven followed by microwave drying. In each set of experiments, the concentrations of the reactants were decreased gradually. HA was synthesized by slow addition of phosphoric acid (H3PO4) in to calcium hydroxide (Ca(OH)2) maintaining the pH of the solution at 10 to avoid the formation of calcium deficient apatites. In both the experiments, Ca:P ratio of 1.67 was maintained for the reagents. The synthesized samples showed X-ray diffraction (XRD) patterns corresponding to hydroxyapatite. The wet chemical process with furnace drying resulted in HA particles of size 7-34 nm, whereas microwave irradiated process yielded HA particles of size 34-102 nm as evidenced from XRD analyses. The above experimental work done by wet chemical synthesis to produce HA powder from sea shells is a simple processing method at room temperature. Microwave irradiation leads to uniform crystallite sizes as evident from this study, at differing concentrations of the reactants and is a comparatively easy method to synthesize HA. The high resolution scanning electron microscopy (HRSEM)/transmission electron microscopic (TEM) analyses revealed the characteristic rod-shaped nanoparticles of HA for the present study.

Sensor selection and chemo-sensory optimization: toward an adaptable chemo-sensory system.

PubMed

Vergara, Alexander; Llobet, Eduard

2011-01-01

Over the past two decades, despite the tremendous research on chemical sensors and machine olfaction to develop micro-sensory systems that will accomplish the growing existent needs in personal health (implantable sensors), environment monitoring (widely distributed sensor networks), and security/threat detection (chemo/bio warfare agents), simple, low-cost molecular sensing platforms capable of long-term autonomous operation remain beyond the current state-of-the-art of chemical sensing. A fundamental issue within this context is that most of the chemical sensors depend on interactions between the targeted species and the surfaces functionalized with receptors that bind the target species selectively, and that these binding events are coupled with transduction processes that begin to change when they are exposed to the messy world of real samples. With the advent of fundamental breakthroughs at the intersection of materials science, micro- and nano-technology, and signal processing, hybrid chemo-sensory systems have incorporated tunable, optimizable operating parameters, through which changes in the response characteristics can be modeled and compensated as the environmental conditions or application needs change. The objective of this article, in this context, is to bring together the key advances at the device, data processing, and system levels that enable chemo-sensory systems to "adapt" in response to their environments. Accordingly, in this review we will feature the research effort made by selected experts on chemical sensing and information theory, whose work has been devoted to develop strategies that provide tunability and adaptability to single sensor devices or sensory array systems. Particularly, we consider sensor-array selection, modulation of internal sensing parameters, and active sensing. The article ends with some conclusions drawn from the results presented and a visionary look toward the future in terms of how the field may evolve.

Experimental Approaches to Understanding Surficial Processes on Mars: The Stony Brook Experience 2000-2016

NASA Astrophysics Data System (ADS)

McLennan, S. M.; Dehouck, E.; Hurowitz, J.; Lindsley, D. H.; Schoonen, M. A.; Tosca, N. J.; Zhao, Y. Y. S.

2016-12-01

Starting with Pathfinder and Global Surveyor, recent missions to Mars have provided great opportunity for low-temperature experimental geochemistry investigations of the Martian sedimentary record by providing geochemical and mineralogical data that can be used as meaningful tests for experiments. These missions have documented a long-lived, complex and dynamic sedimentary rock cycle, including "source-to-sink" sedimentary systems and global paleoenvironmental transitions through time. We designed and constructed an experimental facility, beginning in 2000, specifically to evaluate surficial processes on Mars. Our experimental philosophy has been to (1) keep apparatus simple and flexible, and if feasible maintain sample access during experiments; (2) use starting materials (minerals, rocks) close to known Mars compositions (often requiring synthesis); (3) address sedimentary processes supported by geological investigations at Mars; (4) begin with experiments at standard conditions so they are best supported by thermodynamics; (5) support experiments with thermodynamic-kinetic-mass balance modeling in both design and interpretation, and by high quality chemical, mineralogical and textural lab analyses; (6) interpret results in the context of measurements made at Mars. Although eliciting much comment in proposal and manuscript reviews, we have not attempted to slavishly maintain "Mars conditions", doing so only to the degree required by variables being tested in any given experiments. Among the problems we have addressed are (1) Amazonian alteration of rock surfaces; (2) Noachian-Hesperian chemical weathering; (3) epithermal alteration of `evolved' igneous rocks; (4) mineral surface chemical reactivity from aeolian abrasion; (5) evaporation of mafic brines; (6) early diagenesis of sedimentary iron mineralogy; (7) trace element and halogen behavior during chemical weathering and diagenesis; (8) photochemical influences on halogen distribution and speciation; (9) post-depositional stability of sedimentary amorphous materials.

Sensor Selection and Chemo-Sensory Optimization: Toward an Adaptable Chemo-Sensory System

PubMed Central

Vergara, Alexander; Llobet, Eduard

2011-01-01

Over the past two decades, despite the tremendous research on chemical sensors and machine olfaction to develop micro-sensory systems that will accomplish the growing existent needs in personal health (implantable sensors), environment monitoring (widely distributed sensor networks), and security/threat detection (chemo/bio warfare agents), simple, low-cost molecular sensing platforms capable of long-term autonomous operation remain beyond the current state-of-the-art of chemical sensing. A fundamental issue within this context is that most of the chemical sensors depend on interactions between the targeted species and the surfaces functionalized with receptors that bind the target species selectively, and that these binding events are coupled with transduction processes that begin to change when they are exposed to the messy world of real samples. With the advent of fundamental breakthroughs at the intersection of materials science, micro- and nano-technology, and signal processing, hybrid chemo-sensory systems have incorporated tunable, optimizable operating parameters, through which changes in the response characteristics can be modeled and compensated as the environmental conditions or application needs change. The objective of this article, in this context, is to bring together the key advances at the device, data processing, and system levels that enable chemo-sensory systems to “adapt” in response to their environments. Accordingly, in this review we will feature the research effort made by selected experts on chemical sensing and information theory, whose work has been devoted to develop strategies that provide tunability and adaptability to single sensor devices or sensory array systems. Particularly, we consider sensor-array selection, modulation of internal sensing parameters, and active sensing. The article ends with some conclusions drawn from the results presented and a visionary look toward the future in terms of how the field may evolve. PMID:22319492

New physical concepts for cell amoeboid motion.

PubMed Central

Evans, E

1993-01-01

Amoeboid motion of cells is an essential mechanism in the function of many biological organisms (e.g., the regiment of scavenger cells in the immune defense system of animals). This process involves rapid chemical polymerization (with numerous protein constituents) to create a musclelike contractile network that advances the cell over the surface. Significant progress has been made in the biology and biochemistry of motile cells, but the physical dynamics of cell spreading and contraction are not well understood. The reason is that general approaches are formulated from complex mass, momentum, and chemical reaction equations for multiphase-multicomponent flow with the nontrivial difficulty of moving boundaries. However, there are strong clues to the dynamics that allow bold steps to be taken in simplifying the physics of motion. First, amoeboid cells often exhibit exceptional kinematics, i.e., steady advance and retraction of local fixed-shape patterns. Second, recent evidence has shown that cell projections "grow" by polymerization along the advancing boundary of the cell. Together, these characteristics represent a local growth process pinned to the interfacial contour of a contractile network. As such, the moving boundary becomes tractable, but subtle features of the motion lead to specific requirements for the chemical nature of the boundary polymerization process. To demonstrate these features, simple examples for limiting conditions of substrate interaction (i.e., "strong" and "weak" adhesion) are compared with data from experimental studies of yeast particle engulfment by blood granulocytes and actin network dynamics in fishscale keratocytes. Images FIGURE 2 FIGURE 4 PMID:8494986

New physical concepts for cell amoeboid motion.

PubMed

Evans, E

1993-04-01

Amoeboid motion of cells is an essential mechanism in the function of many biological organisms (e.g., the regiment of scavenger cells in the immune defense system of animals). This process involves rapid chemical polymerization (with numerous protein constituents) to create a musclelike contractile network that advances the cell over the surface. Significant progress has been made in the biology and biochemistry of motile cells, but the physical dynamics of cell spreading and contraction are not well understood. The reason is that general approaches are formulated from complex mass, momentum, and chemical reaction equations for multiphase-multicomponent flow with the nontrivial difficulty of moving boundaries. However, there are strong clues to the dynamics that allow bold steps to be taken in simplifying the physics of motion. First, amoeboid cells often exhibit exceptional kinematics, i.e., steady advance and retraction of local fixed-shape patterns. Second, recent evidence has shown that cell projections "grow" by polymerization along the advancing boundary of the cell. Together, these characteristics represent a local growth process pinned to the interfacial contour of a contractile network. As such, the moving boundary becomes tractable, but subtle features of the motion lead to specific requirements for the chemical nature of the boundary polymerization process. To demonstrate these features, simple examples for limiting conditions of substrate interaction (i.e., "strong" and "weak" adhesion) are compared with data from experimental studies of yeast particle engulfment by blood granulocytes and actin network dynamics in fishscale keratocytes.

Spin-on metal oxide materials with high etch selectivity and wet strippability

NASA Astrophysics Data System (ADS)

Yao, Huirong; Mullen, Salem; Wolfer, Elizabeth; McKenzie, Douglas; Rahman, Dalil; Cho, JoonYeon; Padmanaban, Munirathna; Petermann, Claire; Hong, SungEun; Her, YoungJun

2016-03-01

Metal oxide or metal nitride films are used as hard mask materials in semiconductor industry for patterning purposes due to their excellent etch resistances against the plasma etches. Chemical vapor deposition (CVD) or atomic layer deposition (ALD) techniques are usually used to deposit the metal containing materials on substrates or underlying films, which uses specialized equipment and can lead to high cost-of-ownership and low throughput. We have reported novel spin-on coatings that provide simple and cost effective method to generate metal oxide films possessing good etch selectivity and can be removed by chemical agents. In this paper, new spin-on Al oxide and Zr oxide hard mask formulations are reported. The new metal oxide formulations provide higher metal content compared to previously reported material of specific metal oxides under similar processing conditions. These metal oxide films demonstrate ultra-high etch selectivity and good pattern transfer capability. The cured films can be removed by various chemical agents such as developer, solvents or wet etchants/strippers commonly used in the fab environment. With high metal MHM material as an underlayer, the pattern transfer process is simplified by reducing the number of layers in the stack and the size of the nano structure is minimized by replacement of a thicker film ACL. Therefore, these novel AZ® spinon metal oxide hard mask materials can potentially be used to replace any CVD or ALD metal, metal oxide, metal nitride or spin-on silicon-containing hard mask films in 193 nm or EUV process.

Chemical and Topographical Modification of Polycarbonate Surfaces through Diffusion/Photocuring Processes of Hydrogel Precursors Based on Vinylpyrrolidone.

PubMed

Gallardo, Alberto; Lujan, Noelia; Reinecke, Helmut; García, Carolina; Campo, Adolfo Del; Rodriguez-Hernandez, Juan

2017-02-21

Facile procedures capable of simultaneously conferring hydrophilicity and tailored topography to surfaces of hydrophobic supports, such as polycarbonate (PC), are very attractive but rare. In this work, we describe a simple methodology to wrinkle PC surfaces after a process of (a) contacting with a photopolymerizable vinylic solution, (b) UV curing of such solutions, and (c) detachment of the formed polymer network, upon swelling in ethanol. The influence of different parameters such as contact lag time between the PC surface and the polymerizable solution, the monomer concentration and type of solvents, as well as the cross-linking degree on the formation of wrinkles, has been studied. The dimensions of the wrinkles can be tailored to some extent by altering the different parameters. Surface chemistry has been analyzed by contact angle measurements and by confocal Raman microscopy. The results are consistent with a chemical alteration of the surface and the formation of an outer hydrogel layer, which is interpenetrated into the PC structure. A mechanism of monomer diffusion and PC swelling that produces surface instabilities and wrinkling is proposed.

The Sample Analysis at Mars Investigation and Instrument Suite

NASA Technical Reports Server (NTRS)

Mahaffy, Paul; Webster, Christopher R.; Conrad, Pamela G.; Arvey, Robert; Bleacher, Lora; Brinckerhoff, William B.; Eigenbrode, Jennifer L.; Chalmers, Robert A.; Dworkin, Jason P.; Errigo, Therese;

An image analysis of TLC patterns for quality control of saffron based on soil salinity effect: A strategy for data (pre)-processing.

PubMed

Sereshti, Hassan; Poursorkh, Zahra; Aliakbarzadeh, Ghazaleh; Zarre, Shahin; Ataolahi, Sahar

2018-01-15

Quality of saffron, a valuable food additive, could considerably affect the consumers' health. In this work, a novel preprocessing strategy for image analysis of saffron thin layer chromatographic (TLC) patterns was introduced. This includes performing a series of image pre-processing techniques on TLC images such as compression, inversion, elimination of general baseline (using asymmetric least squares (AsLS)), removing spots shift and concavity (by correlation optimization warping (COW)), and finally conversion to RGB chromatograms. Subsequently, an unsupervised multivariate data analysis including principal component analysis (PCA) and k-means clustering was utilized to investigate the soil salinity effect, as a cultivation parameter, on saffron TLC patterns. This method was used as a rapid and simple technique to obtain the chemical fingerprints of saffron TLC images. Finally, the separated TLC spots were chemically identified using high-performance liquid chromatography-diode array detection (HPLC-DAD). Accordingly, the saffron quality from different areas of Iran was evaluated and classified. Copyright © 2017 Elsevier Ltd. All rights reserved.

All-in-One Gel-Based Electrochromic Devices: Strengths and Recent Developments

PubMed Central

Viñuales, Ana; Rodriguez, Javier; Tena-Zaera, Ramón

2018-01-01

Electrochromic devices (ECDs) have aroused great interest because of their potential applicability in displays and smart systems, including windows, rearview mirrors, and helmet visors. In the last decades, different device structures and materials have been proposed to meet the requirements of commercial applications to boost market entry. To this end, employing simple device architectures and achieving a competitive electrolyte are crucial to accomplish easily implementable, high-performance ECDs. The present review outlines devices comprising gel electrolytes as a single electroactive layer (“all-in-one”) ECD architecture, highlighting some advantages and opportunities they offer over other electrochromic systems. In this context, gel electrolytes not only overcome the drawbacks of liquid and solid electrolytes, such as liquid’s low chemical stability and risk of leaking and soil’s slow switching and lack of transparency, but also exhibit further strengths. These include easier processability, suitability for flexible substrates, and improved stabilization of the chemical species involved in redox processes, leading to better cyclability and opening wide possibilities to extend the electrochromic color palette, as discussed herein. Finally, conclusions and outlook are provided. PMID:29534466

REVIEW ARTICLE: How do biomolecular systems speed up and regulate rates?

NASA Astrophysics Data System (ADS)

Zhou, Huan-Xiang

2005-09-01

The viability of a biological system depends upon careful regulation of the rates of various processes. These rates have limits imposed by intrinsic chemical or physical steps (e.g., diffusion). These limits can be expanded by interactions and dynamics of the biomolecules. For example, (a) a chemical reaction is catalyzed when its transition state is preferentially bound to an enzyme; (b) the folding of a protein molecule is speeded up by specific interactions within the transition-state ensemble and may be assisted by molecular chaperones; (c) the rate of specific binding of a protein molecule to a cellular target can be enhanced by mechanisms such as long-range electrostatic interactions, nonspecific binding and folding upon binding; (d) directional movement of motor proteins is generated by capturing favorable Brownian motion through intermolecular binding energy; and (e) conduction and selectivity of ions through membrane channels are controlled by interactions and the dynamics of channel proteins. Simple physical models are presented here to illustrate these processes and provide a unifying framework for understanding speed attainment and regulation in biomolecular systems.

Determination of residual monomers resulting from the chemical polymerization process of dental materials

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

Boboia, S.; Moldovan, M.; Ardelean, I.

The residual monomer present in post-polymerized dental materials encourages premature degradation of the reconstructed tooth. That is why the residual monomer should be quantified in a simple, fast, accurate and reproducible manner. In our work we propose such an approach for accurate determination of the residual monomer in dental materials which is based on low-field nuclear magnetic resonance (NMR) relaxometry. The results of the NMR approach are compared with those of the high performance liquid chromatography (HPLC) technique. The samples under study contain the main monomers (2,2-bis[4-(2-hydroxy-3-methacryloyloxypropoxy)phenyl]propane and triethylene glycol dimethacrylate) constituting the liquid phase of most dental materials andmore » an initiator. Two samples were analyzed with different ratios of chemical initiation systems: N,N-dimethyl-p-toluide: benzoyl peroxide (1:2 and 0.7:1.2). The results obtained by both techniques highlight that by reducing the initiator the polymerization process slows down and the amount of residual monomer reduces. This prevents the premature degradation of the dental fillings and consequently the reduction of the biomaterial resistance.« less

Deriving an explicit hepatic clearance equation accounting for plasma protein binding and hepatocellular uptake.

PubMed

Yoon, Miyoung; Clewell, Harvey J; Andersen, Melvin E

2013-02-01

High throughput in vitro biochemical and cell-based assays have the promise to provide more mechanism-based assessments of the adverse effects of large numbers of chemicals. One of the most challenging hurdles for interpreting in vitro toxicity findings is the need for reverse dosimetry tools that estimate the exposures that will give concentrations in vivo similar to the active concentrations in vitro. Recent experience using IVIVE approaches to estimate in vivo pharmacokinetics (Wetmore et al., 2012) identified the need to develop a hepatic clearance equation that explicitly accounted for a broader set of protein binding and membrane transport processes and did not depend on a well-mixed description of the liver compartment. Here we derive an explicit steady-state hepatic clearance equation that includes these factors. In addition to the derivation, we provide simple computer code to calculate steady-state extraction for any combination of blood flow, membrane transport processes and plasma protein-chemical binding rates. This expanded equation provides a tool to estimate hepatic clearance for a more diverse array of compounds. Copyright © 2012 Elsevier Ltd. All rights reserved.

Development of watershed models for emerald lake watershed in Sequoia National Park and for other lakes of the Sierra Nevada. Final report

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

Sorooshian, S.; Bales, R.C.; Gupta, V.K.

1992-02-01

In order to better understand the implications of acid deposition in watershed systems in the Sierra Nevada, the California Air Resources Board (CARB) initiated an intensive integrated watershed study at Emerald Lake in Sequoia National Park. The comprehensive nature of the data obtained from these studies provided an opportunity to develop a quantitative description of how watershed characteristics and inputs to the watershed influence within-watershed fluxes, chemical composition of streams and lakes, and, therefore, biotic processes. Two different but closely-related modeling approaches were followed. In the first, the emphasis was placed on the development of systems-theoretic models. In the secondmore » approach, development of a compartmental model was undertaken. The systems-theoretic effort results in simple time-series models that allow the consideration of the stochastic properties of model errors. The compartmental model (the University of Arizona Alpine Hydrochemical Model (AHM)) is a comprehensive and detailed description of the various interacting physical and chemical processes occurring on the watershed.« less

Simulation with quantum mechanics/molecular mechanics for drug discovery.

PubMed

Barbault, Florent; Maurel, François

2015-10-01

Biological macromolecules, such as proteins or nucleic acids, are (still) molecules and thus they follow the same chemical rules that any simple molecule follows, even if their size generally renders accurate studies unhelpful. However, in the context of drug discovery, a detailed analysis of ligand association is required for understanding or predicting their interactions and hybrid quantum mechanics/molecular mechanics (QM/MM) computations are relevant tools to help elucidate this process. In this review, the authors explore the use of QM/MM for drug discovery. After a brief description of the molecular mechanics (MM) technique, the authors describe the subtractive and additive techniques for QM/MM computations. The authors then present several application cases in topics involved in drug discovery. QM/MM have been widely employed during the last decades to study chemical processes such as enzyme-inhibitor interactions. However, despite the enthusiasm around this area, plain MM simulations may be more meaningful than QM/MM. To obtain reliable results, the authors suggest fixing several keystone parameters according to the underlying chemistry of each studied system.

Simulation with quantum mechanics/molecular mechanics for drug discovery.

PubMed

Barbault, Florent; Maurel, François

2015-08-08

Biological macromolecules, such as proteins or nucleic acids, are (still) molecules and thus they follow the same chemical rules that any simple molecule follows, even if their size generally renders accurate studies unhelpful. However, in the context of drug discovery, a detailed analysis of ligand association is required for understanding or predicting their interactions and hybrid quantum mechanics/molecular mechanics (QM/MM) computations are relevant tools to help elucidate this process. Areas covered: In this review, the authors explore the use of QM/MM for drug discovery. After a brief description of the molecular mechanics (MM) technique, the authors describe the subtractive and additive techniques for QM/MM computations. The authors then present several application cases in topics involved in drug discovery. Expert opinion: QM/MM have been widely employed during the last decades to study chemical processes such as enzyme-inhibitor interactions. However, despite the enthusiasm around this area, plain MM simulations may be more meaningful than QM/MM. To obtain reliable results, the authors suggest fixing several keystone parameters according to the underlying chemistry of each studied system.

Interactions of tectonic, igneous, and hydraulic processes in the North Tharsis Region of Mars

NASA Technical Reports Server (NTRS)

Davis, P. A.; Tanaka, Kenneth L.; Golombek, M. P.; Plescia, J. B.

1991-01-01

Recent work on the north Tharsis of Mars has revealed a complex geologic history involving volcanism, tectonism, flooding, and mass wasting. Our detailed photogeologic analysis of this region found many previously unreported volcanic vents, volcaniclastic flows, irregular cracks, and minor pit chains; additional evidence that volcanic tectonic processes dominated this region throughout Martian geologic time; and the local involvement of these processes with surface and near surface water. Also, photoclinometric profiles were obtained within the region of troughs, simple grabens, and pit chains, as well as average spacings of pits along pit chains. These data were used together with techniques to estimate depths of crustal mechanical discontinuities that may have controlled the development of these features. In turn, such discontinuities may be controlled by stratigraphy, presence of water or ice, or chemical cementation.

Synthesis of a Carbon-activated Microfiber from Spider Webs Silk

NASA Astrophysics Data System (ADS)

Taer, E.; Mustika, W. S.; Taslim, R.

2017-03-01

Carbon fiber of spider web silk has been produced through the simple carbonization process. Cobwebs are a source of strong natural fiber, flexible and micrometer in size. Preparation of micro carbon fiber from spider webs that consist of carbonization and activation processes. Carbonization was performed in N2 gas environment by multi step heating profile up to temperature of 400 °C, while the activation process was done by using chemical activation with KOH activating agent assistance. Measurement of physical properties was conducted on the surface morphology, element content and the degree of crystallinity. The measurement results found that micro carbon fiber from spider webs has a diameter in the range of 0.5 -25 micrometers. It is found that the carbon-activated microfiber takes the amorphous form with the carbon content of 84 %.

Unraveling the solvent induced welding of silver nanowires for high performance flexible transparent electrodes.

PubMed

Zhang, Kui; Li, Jia; Fang, Yunsheng; Luo, Beibei; Zhang, Yanli; Li, Yanqiu; Zhou, Jun; Hu, Bin

2018-04-25

A solution processed metal nanowire network is a promising flexible transparent electrode to replace brittle metal oxides for printable optoelectronics applications, but suffers from the issue of pseudo contact between nanowires. Herein, using volatile solvent mists as a powerful "zipper", we demonstrate a simple and rapid method to effectively weld silver nanowires, which dramatically improves the conductivity and robustness of the silver nanowire network based flexible transparent electrodes. We reveal that for a stacked network structure, the unique wedge-shaped nanogaps between the long nanowires and substrate provide a strong capillary force during solvent evaporation, which is much larger than that between zero-dimensional nanoparticles and gives a decisive contribution for nanowire junction welding, and this nanowire-substrate interplay force is positively related to the wettability of the substrate. At the same time, the dissolution-reprecipitation of the capping agent on the silver nanowire surface as the natural adhesive can fix the network on the substrate tightly, which enhances the robustness of the network. Our approach solves two key issues in solution-processed transparent electrodes in one simple step, and is compatible with various mild solution-processed optoelectronic devices, especially those containing heat-sensitive or chemical-sensitive materials. Moreover, a new type of invisible infrared encryption display is demonstrated based on this approach.

Proposal for a screening test to evaluate the fate of organic micropollutants in activated sludge.

PubMed

Salvetti, Roberta; Vismara, Renato; Dal Ben, Ilaria; Gorla, Elena; Romele, Laura

2011-04-01

The concentrations of organic micropollutants are usually low in wastewaters (order of magnitude of mg L(-1)). However, their emission standards, especially in the case of carcinogenic and bioaccumulating substances, are often much lower (order of magnitude of microg L(-1)). Since these substances, in some cases, can be adsorbable or volatile, their removal via volatilization, biodegradation or sludge adsorption in a wastewater treatment plant (WWTP) becomes a significant feature to include in the usual design process, in order to verify the emission standards in gas and sludge too. In this study a simple screening batch test for the evaluation of the fate of organic micropollutants in water, air and sludge is presented. The test is set up by means of simple laboratory instruments and simulates an activated sludge tank process. In this study the results obtained for four substances with different chemical properties (i.e. toluene, benz(a)anthracene, phenol and benzene) are presented. The screening test proposed can be a useful tool to assess in about one month the fate of organic micropollutants in an activated sludge tank of a WWTP. Moreover, the test can constitute a useful support in the use of mathematical models, since it allows the verification of model results and the calibration of the reactions involved in the removal process.

Microbial production of organic acids in aquitard sediments and its role in aquifer geochemistry

USGS Publications Warehouse

McMahon, P.B.; Chapelle, F.H.

1991-01-01

MICROBIAL activity in aquifers plays an important part in the chemical evolution of ground water1-5. The most important terminal electron-accepting microbial processes in deeply buried anaerobic aquifers are iron reduction, sulphate reduction and methanogenesis5-8, each of which requires simple organic compounds or hydrogen (H2) as electron donors. Until now, the source of these compounds was unknown because the concentrations of dissolved organic carbon and sedimentary organic carbon in aquifers are extremely low9-11. Here we show that rates of microbial fermentation exceed rates of respiration in organic-rich aquitards (low-permeability sediments stratigraphically adjacent to higher-permeability aquifer sediments), resulting in a net accumulation of simple organic acids in pore waters. In aquifers, however, respiration outpaces fermentation, resulting in a net consumption of organic acids. The concentration gradient that develops in response to these two processes drives a net diffusive flux of organic acids from aquitards to aquifers. Diffusion calculations demonstrate that rates of organic acid transport are sufficient to account for observed rates of microbial respiration in aquifers. This overall process effectively links the large pool of sedimentary organic carbon in aquitards to microbial respiration in aquifers, and is a principal mechanism driving groundwater chemistry changes in aquifers.

Using Graph Indices for the Analysis and Comparison of Chemical Datasets.

PubMed

Fourches, Denis; Tropsha, Alexander

2013-10-01

In cheminformatics, compounds are represented as points in multidimensional space of chemical descriptors. When all pairs of points found within certain distance threshold in the original high dimensional chemistry space are connected by distance-labeled edges, the resulting data structure can be defined as Dataset Graph (DG). We show that, similarly to the conventional description of organic molecules, many graph indices can be computed for DGs as well. We demonstrate that chemical datasets can be effectively characterized and compared by computing simple graph indices such as the average vertex degree or Randic connectivity index. This approach is used to characterize and quantify the similarity between different datasets or subsets of the same dataset (e.g., training, test, and external validation sets used in QSAR modeling). The freely available ADDAGRA program has been implemented to build and visualize DGs. The approach proposed and discussed in this report could be further explored and utilized for different cheminformatics applications such as dataset diversification by acquiring external compounds, dataset processing prior to QSAR modeling, or (dis)similarity modeling of multiple datasets studied in chemical genomics applications. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Metrology in physics, chemistry, and biology: differing perceptions.

PubMed

Iyengar, Venkatesh

2007-04-01

The association of physics and chemistry with metrology (the science of measurements) is well documented. For practical purposes, basic metrological measurements in physics are governed by two components, namely, the measure (i.e., the unit of measurement) and the measurand (i.e., the entity measured), which fully account for the integrity of a measurement process. In simple words, in the case of measuring the length of a room (the measurand), the SI unit meter (the measure) provides a direct answer sustained by metrological concepts. Metrology in chemistry, as observed through physical chemistry (measures used to express molar relationships, volume, pressure, temperature, surface tension, among others) follows the same principles of metrology as in physics. The same basis percolates to classical analytical chemistry (gravimetry for preparing high-purity standards, related definitive analytical techniques, among others). However, certain transition takes place in extending the metrological principles to chemical measurements in complex chemical matrices (e.g., food samples), as it adds a third component, namely, indirect measurements (e.g., AAS determination of Zn in foods). This is a practice frequently used in field assays, and calls for additional steps to account for traceability of such chemical measurements for safeguarding reliability concerns. Hence, the assessment that chemical metrology is still evolving.

Enhanced Removal of Lead by Chemically and Biologically Treated Carbonaceous Materials

PubMed Central

Mahmoud, Mohamed E.; Osman, Maher M.; Ahmed, Somia B.; Abdel-Fattah, Tarek M.

2012-01-01

Hybrid sorbents and biosorbents were synthesized via chemical and biological treatment of active carbon by simple and direct redox reaction followed by surface loading of baker's yeast. Surface functionality and morphology of chemically and biologically modified sorbents and biosorbents were studied by Fourier Transform Infrared analysis and scanning electron microscope imaging. Hybrid carbonaceous sorbents and biosorbents were characterized by excellent efficiency and superiority toward lead(II) sorption compared to blank active carbon providing a maximum sorption capacity of lead(II) ion as 500 μmol g−1. Sorption processes of lead(II) by these hybrid materials were investigated under the influence of several controlling parameters such as pH, contact time, mass of sorbent and biosorbent, lead(II) concentration, and foreign ions. Lead(II) sorption mechanisms were found to obey the Langmuir and BET isotherm models. The potential applications of chemically and biologically modified-active carbonaceous materials for removal and extraction of lead from real water matrices were also studied via a double-stage microcolumn technique. The results of this study were found to denote to superior recovery values of lead (95.0–99.0 ± 3.0–5.0%) by various carbonaceous-modified-bakers yeast biosorbents. PMID:22629157

The role of H-bond in the high-pressure chemistry of model molecules

NASA Astrophysics Data System (ADS)

Fanetti, Samuele; Citroni, Margherita; Dziubek, Kamil; Medre Nobrega, Marcelo; Bini, Roberto

2018-03-01

Pressure is an extraordinary tool to modify direction and strength of intermolecular interactions with important consequences on the chemical stability of molecular materials. The decrease of the distance among nearest neighbour molecules can give rise to reactive configurations reflecting the crystal arrangement and leading to association processes. In this context, the role of the H-bonds is very peculiar because their usual strengthening with rising pressure does not necessarily configure a decrease of the reaction activation energy but, on the contrary, can give rise to an anomalous stability of the system. In spite of this central role, the mechanisms by which a chemical reaction is favoured or prevented by H-bonding under high pressure conditions is a poorly explored field. Here we review a few studies where the chemical behaviour of simple molecular systems under static compression was related to the H-bonding evolution with pressure. These results are able to clarify a wealth of changes of the chemical and physical properties caused by the strengthening with pressure of the H-bonding network and provide additional tools to understand the mechanisms of high-pressure reactivity, a mandatory step to make these synthetic methods of potential interest for applicative purposes.

Chemical and isotopic diversity in basalts dredged from the East Pacific Rise at 10°S, the fossil Galapagos Rise and the Nazca plate

USGS Publications Warehouse

Batiza, Rodey; Oestrike, Richard; Futa, Kiyoto

1982-01-01

The dredges from the East Pacific Rise at about 10°S recovered unusual transitional, light rare-earth element (LREE) enriched basalts which show a range of fractionation. On the basis of their chemical and isotopic abundances, it is unlikely that the lavas are related by a single simple process of magmatic differentiation. We suggest that the mantle source region of these basalts was chemically and isotopically heterogeneous. The chemistry of LREE-depleted tholeiitic basalt dredged from near the axis of the extinct Galapagos Rise indicates complex petrogenesis and differentiation. The presence of tholeiitic basalts here indicates that unlike the Guadalupe and Mathematician fossil ridges, the Galapagos Rise has not been the site of voluminous post-abandonment alkalic volcanism. Alkalic basalts of picritic bulk composition dredged from an elongate seamount near the Galapagos Rise do not represent liquid compositions. Instead, we suggest that these alkalic liquids contain added olivine and plagioclase xenocrysts. Although most of the samples analyzed are very fresh, a few have been altered. The latter exhibit characteristic chemical and isotopic effects of seawater alteration.

New approach of depollution of solid chromium leather waste by the use of organic chelates: economical and environmental impacts.

PubMed

Malek, Ammar; Hachemi, Messaoud; Didier, Villemin

2009-10-15

Herein, we describe an original novel method which allows the decontamination of the chromium-containing leather wastes to simplify the recovery of its considerable protein fractions. Organic salts and acids such as potassium oxalate, potassium tartrate, acetic and citric acids were tested for their efficiency to separate the chromium from the leather waste. Our investigation is based on the research of the total reversibility of the tanning process, in order to decontaminate the waste without its previous degradation or digestion. The effect of several influential parameters on the treatment process was also studied. Therefore, the action of chemical agents used in decontamination process seems very interesting. The optimal yield of chromium extraction about 95% is obtained. The aim of the present study is to define a preliminary processing of solid leather waste with two main impacts: Removing with reusing chromium in the tanning process with simple, ecological and economic treatment process and potential valorization of the organic matrix of waste decontaminated.

Enhanced vacuum laser-impulse coupling by volume absorption at infrared wavelengths

NASA Astrophysics Data System (ADS)

Phipps, C. R., Jr.; Harrison, R. F.; Shimada, T.; York, G. W.; Turner, R. F.

1990-03-01

This paper reports measurements of vacuum laser impulse coupling coefficients as large as 90 dyne/W, obtained with single microsec-duration CO2 laser pulses incident on a volume-absorbing, cellulose-nitrate-based plastic. This result is the largest coupling coefficient yet reported at any wavelength for a simple, planar target in vacuum, and partly results from expenditure of internal chemical energy in this material. Enhanced coupling was also observed in several other target materials that are chemically passive, but absorb light in depth at 10- and 3-micron wavelengths. The physical distinctions are discussed between this important case and that of simple, planar surface absorbers (such as metals) which were studied in the same experimental series, in light of the predictions of a simple theoretical model.

Using Big Data Analytics to Address Mixtures Exposure

EPA Science Inventory

The assessment of chemical mixtures is a complex issue for regulators and health scientists. We propose that assessing chemical co-occurrence patterns and prevalence rates is a relatively simple yet powerful approach in characterizing environmental mixtures and mixtures exposure...

A simplified bioprocess for human alpha-fetoprotein production from inclusion bodies.

PubMed

Leong, Susanna S J; Middelberg, Anton P J

2007-05-01

A simple and effective Escherichia coli (E. coli) bioprocess is demonstrated for the preparation of recombinant human alpha-fetoprotein (rhAFP), a pharmaceutically promising protein that has important immunomodulatory functions. The new rhAFP process employs only unit operations that are easy to scale and validate, and reduces the complexity embedded in existing inclusion body processing methods. A key requirement in the establishment of this process was the attainment of high purity rhAFP prior to protein refolding because (i) rhAFP binds easily to hydrophobic contaminants once refolded, and (ii) rhAFP aggregates during renaturation, in a contaminant- dependent way. In this work, direct protein extraction from cell suspension was coupled with a DNA precipitation-centrifugation step prior to purification using two simple chromatographic steps. Refolding was conducted using a single-step, redox-optimized dilution refolding protocol, with refolding success determined by reversed phase HPLC analysis, ELISA, and circular dichroism spectroscopy. Quantitation of DNA and protein contaminant loads after each unit operation showed that contaminant levels were reduced to levels comparable to traditional flowsheets. Protein microchemical modification due to carbamylation in this urea-based process was identified and minimized, yielding a final refolded and purified product that was significantly purified from carbamylated variants. Importantly, this work conclusively demonstrates, for the first time, that a chemical extraction process can substitute the more complex traditional inclusion body processing flowsheet, without compromising product purity and yield. This highly intensified and simplified process is expected to be of general utility for the preparation of other therapeutic candidates expressed as inclusion bodies. (c) 2006 Wiley Periodicals, Inc.

Transfer of the epoxidation of soybean oil from batch to flow chemistry guided by cost and environmental issues.

PubMed

Kralisch, Dana; Streckmann, Ina; Ott, Denise; Krtschil, Ulich; Santacesaria, Elio; Di Serio, Martino; Russo, Vincenzo; De Carlo, Lucrezia; Linhart, Walter; Christian, Engelbert; Cortese, Bruno; de Croon, Mart H J M; Hessel, Volker

2012-02-13

The simple transfer of established chemical production processes from batch to flow chemistry does not automatically result in more sustainable ones. Detailed process understanding and the motivation to scrutinize known process conditions are necessary factors for success. Although the focus is usually "only" on intensifying transport phenomena to operate under intrinsic kinetics, there is also a large intensification potential in chemistry under harsh conditions and in the specific design of flow processes. Such an understanding and proposed processes are required at an early stage of process design because decisions on the best-suited tools and parameters required to convert green engineering concepts into practice-typically with little chance of substantial changes later-are made during this period. Herein, we present a holistic and interdisciplinary process design approach that combines the concept of novel process windows with process modeling, simulation, and simplified cost and lifecycle assessment for the deliberate development of a cost-competitive and environmentally sustainable alternative to an existing production process for epoxidized soybean oil. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Optically Transparent Microwave Polarizer Based On Quasi-Metallic Graphene.

PubMed

Grande, Marco; Bianco, Giuseppe Valerio; Vincenti, Maria Antonietta; de Ceglia, Domenico; Capezzuto, Pio; Scalora, Michael; D'Orazio, Antonella; Bruno, Giovanni

2015-11-25

In this paper, we report on the engineering and the realization of optically transparent graphene-based microwave devices using Chemical Vapour Deposition (CVD) graphene whose sheet resistance may be tailored down to values below 30 Ω/sq. In particular, we show that the process was successfully used to realize and characterize a simple, optically transparent graphene-based wire-grid polarizer at microwave frequencies (X band). The availability of graphene operating in a quasi-metallic region may allow the integration of graphene layers in several microwave components, thus leading to the realization of fully transparent (and flexible) microwave devices.

Optically Transparent Microwave Polarizer Based On Quasi-Metallic Graphene

PubMed Central

Grande, Marco; Bianco, Giuseppe Valerio; Vincenti, Maria Antonietta; de Ceglia, Domenico; Capezzuto, Pio; Scalora, Michael; D’Orazio, Antonella; Bruno, Giovanni

2015-01-01

In this paper, we report on the engineering and the realization of optically transparent graphene-based microwave devices using Chemical Vapour Deposition (CVD) graphene whose sheet resistance may be tailored down to values below 30 Ω/sq. In particular, we show that the process was successfully used to realize and characterize a simple, optically transparent graphene-based wire-grid polarizer at microwave frequencies (X band). The availability of graphene operating in a quasi-metallic region may allow the integration of graphene layers in several microwave components, thus leading to the realization of fully transparent (and flexible) microwave devices. PMID:26603112

A phonon thermodynamics approach of gold nanofluids synthesized in solution plasma

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

Heo, YongKang, E-mail: yk@rd.numse.nagoya-u.ac.jp; Aburaya, Daiki, E-mail: daiki@rd.numse.nagoya-u.ac.jp; Antoaneta Bratescu, Maria, E-mail: maria@rd.numse.nagoya-u.ac.jp

2014-03-17

The phonon thermodynamics theory for liquids was applied to explain the thermal characteristics of gold nanofluids synthesized by a simple, one-step, and chemical-free method using an electrical discharge in a liquid environment termed solution plasma process. The specific heat capacity of nanofluids was measured with a differential scanning calorimeter using the ratio between the differential heat flow rate and the heating rate. The decrease of the specific heat capacity with 10% of gold nanofluids relative to water was explained by the decrease of Frenkel relaxation time with 22%, considering a solid-like state model of liquids.

Ultrasonic-assisted synthesis of monodisperse single-crystalline silver nanoplates and gold nanorings.

PubMed

Jiang, Li-Ping; Xu, Shu; Zhu, Jian-Min; Zhang, Jian-Rong; Zhu, Jun-Jie; Chen, Hong-Yuan

2004-09-20

A simple sonochemical route was developed for the crystal growth of uniform silver nanoplates and ringlike gold nanocrystals in a N,N-dimethylformamide solution. The platelike structures were generated from the selective growth on different crystal planes in the presence of poly(vinylpyrrolidone) and the ultrasonic-assisted Ostwald ripening processes. The silver nanoplates in solution served as the templates for the synthesis of ringlike gold crystals via a displacement reaction. Both the silver nanoplates and gold nanorings were highly oriented single crystals with (111) planes as the basal planes. Copyright 2004 American Chemical Society

SIMPLE METHOD FOR THE REPRESENTATION, QUANTIFICATION, AND COMPARISON OF THE VOLUMES AND SHAPES OF CHEMICAL COMPOUNDS

EPA Science Inventory

A conceptually and computationally simple method for the definition, display, quantification, and comparison of the shapes of three-dimensional mathematical molecular models is presented. Molecular or solvent-accessible volume and surface area can also be calculated. Algorithms, ...

[Recent results in research on oscillatory chemical reactions].

PubMed

Poros, Eszter; Kurin-Csörgei, Krisztina

2014-01-01

The mechanisms of the complicated periodical phenomenas in the nature (e.g. hearth beat, sleep cycle, circadian rhythms, etc) could be understood with using the laws of nonlinear chemical systems. In this article the newest result in the research of the subfield of nonlinear chemical dynamics aimed at constructing oscillatory chemical reactions, which are novel either in composition or in configuration, are presented. In the introductory part the concept of chemical periodicity is defined, then the forms as it can appear in time and space and the methods of their study are discussed. Detailed description of the experimental work that has resulted in two significant discoveries is provided. A method was developed to design pH-oscillators which are capable of operating under close conditions. The batch pH-oscillators are more convenient to use in some proposed applications than the equivalent CSTR variant. A redox oscillator that is new in composition was found. The permanganate oxidation of some amino acids was shown to take place according to oscillatory kinetics in a narrow range of the experimental parameters. The KMnO4 - glycine - Na2HPO4 system represents the first example in the family of manganese based oscillators where amino acids is involved. In the conclusion formal analogies between the simple chemical and some more complicated biological oscillatory phenomena are mentioned and the possibility of modeling periodic processes with the use of information gained from the studies of chemical oscillations is pointed out.

Hierarchical cluster analysis of technical replicates to identify interferents in untargeted mass spectrometry metabolomics.

PubMed

Caesar, Lindsay K; Kvalheim, Olav M; Cech, Nadja B

2018-08-27

Mass spectral data sets often contain experimental artefacts, and data filtering prior to statistical analysis is crucial to extract reliable information. This is particularly true in untargeted metabolomics analyses, where the analyte(s) of interest are not known a priori. It is often assumed that chemical interferents (i.e. solvent contaminants such as plasticizers) are consistent across samples, and can be removed by background subtraction from blank injections. On the contrary, it is shown here that chemical contaminants may vary in abundance across each injection, potentially leading to their misidentification as relevant sample components. With this metabolomics study, we demonstrate the effectiveness of hierarchical cluster analysis (HCA) of replicate injections (technical replicates) as a methodology to identify chemical interferents and reduce their contaminating contribution to metabolomics models. Pools of metabolites with varying complexity were prepared from the botanical Angelica keiskei Koidzumi and spiked with known metabolites. Each set of pools was analyzed in triplicate and at multiple concentrations using ultraperformance liquid chromatography coupled to mass spectrometry (UPLC-MS). Before filtering, HCA failed to cluster replicates in the data sets. To identify contaminant peaks, we developed a filtering process that evaluated the relative peak area variance of each variable within triplicate injections. These interferent peaks were found across all samples, but did not show consistent peak area from injection to injection, even when evaluating the same chemical sample. This filtering process identified 128 ions that appear to originate from the UPLC-MS system. Data sets collected for a high number of pools with comparatively simple chemical composition were highly influenced by these chemical interferents, as were samples that were analyzed at a low concentration. When chemical interferent masses were removed, technical replicates clustered in all data sets. This work highlights the importance of technical replication in mass spectrometry-based studies, and presents a new application of HCA as a tool for evaluating the effectiveness of data filtering prior to statistical analysis. Copyright © 2018 Elsevier B.V. All rights reserved.

Synthesis and Characterization of Mimosa Pudica Leaves Shaped α-Iron Oxide Nanostructures for Ethanol Chemical Sensor Applications.

PubMed

Kim, S H; Ibrahim, Ahmed A; Kumar, R; Umar, Ahmad; Abaker, M; Hwang, S W; Baskoutas, S

2016-03-01

Herein, the synthesis of mimosa pudica leaves shaped a-iron oxide (α-Fe2O3) nanostructures is reported through simple and facile hydrothermal process. The prepared α-Fe2O3 nanostructures were characterized in terms of their morphological, structural, compositional and optical properties through a variety of characterization techniques such as FESEM, EDS, XRD, FTIR and Raman spectroscopy. The detailed characterizations revealed the well-crystallinity and dense growth of mimosa pudica leaf shaped α-Fe2O3 nanostructures. Further, the prepared nanomaterials were used as efficient electron mediator to fabricate sensitive ethanol chemical sensor. The fabricated sensor exhibited a high sensitivity of -30.37 μAmM(-1) cm(-2) and low detection limit of -0.62 μM. The observed linear dynamic range (LDR) was in the range from 10 μM-0.625 μM.

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

Wang, Yu; Li, Shunbo; Wen, Weijia, E-mail: phwen@ust.hk

A local area temperature monitor is important for precise control of chemical and biological processes in microfluidics. In this work, we developed a facile method to realize micron spatial resolution of temperature mapping in a microfluidic channel quickly and cost effectively. Based on the temperature dependent fluorescence emission of NaYF{sub 4}:Yb{sup 3+}, Er{sup 3+} upconversion nanoparticles (UCNPs) under near-infrared irradiation, ratio-metric imaging of UCNPs doped polydimethylsiloxane can map detailed temperature distribution in the channel. Unlike some reported strategies that utilize temperature sensitive organic dye (such as Rhodamine) to achieve thermal sensing, our method is highly chemically inert and physically stablemore » without any performance degradation in long term operation. Moreover, this method can be easily scaled up or down, since the spatial and temperature resolution is determined by an optical imaging system. Our method supplied a simple and efficient solution for temperature mapping on a heterogeneous surface where usage of an infrared thermal camera was limited.« less

Tin oxide nanosheet assembly for hydrophobic/hydrophilic coating and cancer sensing.

PubMed

Masuda, Yoshitake; Ohji, Tatsuki; Kato, Kazumi

2012-03-01

Tin oxide nanosheets were crystallized on transparent conductive oxide substrates of fluorine-doped tin oxide in aqueous solutions. The nanosheets had chemical ratio of Sn:O:F = 1:1.85:0.076, suggesting fluorine doping into SnO(2). They were hydrophobic surfaces with contact angle of 140°. They were converted to hydrophilic surfaces with contact angle of below 1° by light irradiation. The simple water process will be applied to surface coating of polymers, metals, biomaterials, papers, etc. Furthermore, the tin oxide nanosheets were modified with dye-labeled monoclonal antibody. Monoclonal antibody reacts with human alpha-fetoprotein in blood serum of hepatocellular cancer patient. Photoluminescence and photocurrent were obtained from the nanosheets under excitation light. Photoelectric conversion was an essence in the sensing system. The tin oxide nanosheets with dye-labeled prostate specific antigen will be used for electrodes of prostate cancer sensors. © 2012 American Chemical Society

3D printed disposable optics and lab-on-a-chip devices for chemical sensing with cell phones

NASA Astrophysics Data System (ADS)

Comina, G.; Suska, A.; Filippini, D.

2017-02-01

Digital manufacturing (DM) offers fast prototyping capabilities and great versatility to configure countless architectures at affordable development costs. Autonomous lab-on-a-chip (LOC) devices, conceived as only disposable accessory to interface chemical sensing to cell phones, require specific features that can be achieved using DM techniques. Here we describe stereo-lithography 3D printing (SLA) of optical components and unibody-LOC (ULOC) devices using consumer grade printers. ULOC devices integrate actuation in the form of check-valves and finger pumps, as well as the calibration range required for quantitative detection. Coupling to phone camera readout depends on the detection approach, and includes different types of optical components. Optical surfaces can be locally configured with a simple polishing-free post-processing step, and the representative costs are 0.5 US$/device, same as ULOC devices, both involving fabrication times of about 20 min.

Atmospheric Pressure Chemical Ionization Sources Used in The Detection of Explosives by Ion Mobility Spectrometry

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

Waltman, Melanie J.

2010-05-01

Explosives detection is a necessary and wide spread field of research. From large shipping containers to airline luggage, numerous items are tested for explosives every day. In the area of trace explosives detection, ion mobility spectrometry (IMS) is the technique employed most often because it is a quick, simple, and accurate way to test many items in a short amount of time. Detection by IMS is based on the difference in drift times of product ions through the drift region of an IMS instrument. The product ions are created when the explosive compounds, introduced to the instrument, are chemically ionizedmore » through interactions with the reactant ions. The identity of the reactant ions determines the outcomes of the ionization process. This research investigated the reactant ions created by various ionization sources and looked into ways to manipulate the chemistry occurring in the sources.« less

THz-wave parametric sources and imaging applications

NASA Astrophysics Data System (ADS)

Kawase, Kodo

2004-12-01

We have studied the generation of terahertz (THz) waves by optical parametric processes based on laser light scattering from the polariton mode of nonlinear crystals. Using parametric oscillation of MgO-doped LiNbO3 crystal pumped by a nano-second Q-switched Nd:YAG laser, we have realized a widely tunable coherent THz-wave sources with a simple configuration. We have also developed a novel basic technology for THz imaging, which allows detection and identification of chemicals by introducing the component spatial pattern analysis. The spatial distributions of the chemicals were obtained from terahertz multispectral trasillumination images, using absorption spectra previously measured with a widely tunable THz-wave parametric oscillator. Further we have applied this technique to the detection and identification of illicit drugs concealed in envelopes. The samples we used were methamphetamine and MDMA, two of the most widely consumed illegal drugs in Japan, and aspirin as a reference.

[Methods of eliminating alkaloids from the seeds of Lupinus mutabilis Sweet].

PubMed

Torres Tello, F; Nagata, A; Dreifuss Spiegel, W

1980-06-01

The basic purpose of this work was to find a simple and economic method to control and eliminate the presence of alkaloids, as detected by organoleptic or toxicity tests, in Lupinus mutabilis, S. (tarhui) seeds. Taking advantage of the physical and chemical properties of the seeds, they were subjected to four methods of extraction; b) chemical treatment; c) extraction with two solvents, and d) treatment with a modified water-heat process. The results indicated that the most adequate method was the water-heat modified treatment, which showed a yield of 85% and a debittering efficiency of 98.6%, figures which were above those obtained with any of the other treatments studied. The final product had a bland taste without traces of bitterness and a 32% concentration of protein in the kayra line. Amino acid content showed this product to have an unusual high lysine content.

Human life support during interplanetary travel and domicile. II - Generic Modular Flow Schematic modeling

NASA Technical Reports Server (NTRS)

Farral, Joseph F.; Seshan, P. K.; Rohatgi, Naresh K.

1991-01-01

This paper describes the Generic Modular Flow Schematic (GMFS) architecture capable of encompassing all functional elements of a physical/chemical life support system (LSS). The GMFS can be implemented to synthesize, model, analyze, and quantitatively compare many configurations of LSSs, from a simple, completely open-loop to a very complex closed-loop. The GMFS model is coded in ASPEN, a state-of-the-art chemical process simulation program, to accurately compute the material, heat, and power flow quantities for every stream in each of the subsystem functional elements (SFEs) in the chosen configuration of a life support system. The GMFS approach integrates the various SFEs and subsystems in a hierarchical and modular fashion facilitating rapid substitutions and reconfiguration of a life support system. The comprehensive ASPEN material and energy balance output is transferred to a systems and technology assessment spreadsheet for rigorous system analysis and trade studies.

Generalised syntheses of ordered mesoporous oxides: the atrane route

NASA Astrophysics Data System (ADS)

Cabrera, Saúl; El Haskouri, Jamal; Guillem, Carmen; Latorre, Julio; Beltrán-Porter, Aurelio; Beltrán-Porter, Daniel; Marcos, M. Dolores; Amorós *, Pedro

2000-06-01

A new simple and versatile technique to obtain mesoporous oxides is presented. While implying surfactant-assisted formation of mesostructured intermediates, the original chemical contribution of this approach lies in the use of atrane complexes as precursors. Without prejudice to their inherent unstability in aqueous solution, the atranes show a marked inertness towards hydrolysis. Bringing kinetic factors into play, it becomes possible to control the processes involved in the formation of the surfactant-inorganic phase composite micelles, which constitute the elemental building blocks of the mesostructures. Independent of the starting compositional complexity, both the mesostructured intermediates and the final mesoporous materials are chemically homogeneous. The final ordered mesoporous materials are thermally stable and show unimodal porosity, as well as homogeneous microstructure and texture. Examples of materials synthesised on account of the versatility of this new method, including siliceous, non siliceous and mixed oxides, are presented and discussed.

Sample flow switching techniques on microfluidic chips.

PubMed

Pan, Yu-Jen; Lin, Jin-Jie; Luo, Win-Jet; Yang, Ruey-Jen

2006-02-15

This paper presents an experimental investigation into electrokinetically focused flow injection for bio-analytical applications. A novel microfluidic device for microfluidic sample handling is presented. The microfluidic chip is fabricated on glass substrates using conventional photolithographic and chemical etching processes and is bonded using a high-temperature fusion method. The proposed valve-less device is capable not only of directing a single sample flow to a specified output port, but also of driving multiple samples to separate outlet channels or even to a single outlet to facilitate sample mixing. The experimental results confirm that the sample flow can be electrokinetically pre-focused into a narrow stream and guided to the desired outlet port by means of a simple control voltage model. The microchip presented within this paper has considerable potential for use in a variety of applications, including high-throughput chemical analysis, cell fusion, fraction collection, sample mixing, and many other applications within the micro-total-analysis systems field.

On-wire lithography: synthesis, encoding and biological applications

PubMed Central

Banholzer, Matthew J; Qin, Lidong; Millstone, Jill E; Osberg, Kyle D; Mirkin, Chad A

2014-01-01

The next step in the maturing field of nanotechnology is to develop ways to introduce unusual architectural changes to simple building blocks. For nanowires, on-wire lithography (OWL) has emerged as a powerful way of synthesizing a segmented structure and subsequently introducing architectural changes through post-chemical treatment. In the OWL protocol presented here, multisegmented nanowires are grown and a support layer is deposited on one side of each nanostructure. After selective chemical etching of sacrificial segments, structures with gaps as small as 2 nm and disks as thin as 20 nm can be created. These nanostructures are highly tailorable and can be used in electrical transport, Raman enhancement and energy conversion. Such nanostructures can be functionalized with many types of adsorbates, enabling the use of OWL-generated structures as bioactive probes for diagnostic assays and molecular transport junctions. The process takes 13–36 h depending on the type of adsorbate used to functionalize the nanostructures. PMID:19444241

Raman and dielectric studies of GdMnO3 bulk ceramics synthesized from nano powders

NASA Astrophysics Data System (ADS)

Samantaray, S.; Mishra, D. K.; Roul, B. K.

2017-05-01

Nanocrystalline GdMnO3 (GMO) powders has been synthesized by a simple chemical route i. e. pyrophoric reaction technique and then sintered in the form of bulk pellet at 850°C for 24 hours by adopting slow step sintering schedule. It is observed that by reducing the particles size, chemical route enhances the mixing process as well as decreasing the sintering temperature to get single phase material system in compared to the polycrystalline sample prepared directly from the micron sized commercial powder. Raman spectroscopic studies confirm that the sample is in single phase without any detectable impurity. Frequency dependent dielectric properties i.e., dielectric constant (K) and dielectric loss (tanδ) of GMO ceramics sintered at 850°C for 24 hours were studied at room temperature. The sample showed high K value (˜2736) in the frequency of 100 Hz at room temperature.

Plant cell wall characterization using scanning probe microscopy techniques

PubMed Central

Yarbrough, John M; Himmel, Michael E; Ding, Shi-You

2009-01-01

Lignocellulosic biomass is today considered a promising renewable resource for bioenergy production. A combined chemical and biological process is currently under consideration for the conversion of polysaccharides from plant cell wall materials, mainly cellulose and hemicelluloses, to simple sugars that can be fermented to biofuels. Native plant cellulose forms nanometer-scale microfibrils that are embedded in a polymeric network of hemicelluloses, pectins, and lignins; this explains, in part, the recalcitrance of biomass to deconstruction. The chemical and structural characteristics of these plant cell wall constituents remain largely unknown today. Scanning probe microscopy techniques, particularly atomic force microscopy and its application in characterizing plant cell wall structure, are reviewed here. We also further discuss future developments based on scanning probe microscopy techniques that combine linear and nonlinear optical techniques to characterize plant cell wall nanometer-scale structures, specifically apertureless near-field scanning optical microscopy and coherent anti-Stokes Raman scattering microscopy. PMID:19703302

Sensory Transduction in Caenorhabditis elegans

NASA Astrophysics Data System (ADS)

Brown, Austin L.; Ramot, Daniel; Goodman, Miriam B.

The roundworm Caenorhabditis elegans has a well-defined and comparatively simple repertoire of sensory-guided behaviors, all of which rely on its ability to detect chemical, mechanical or thermal stimuli. In this chapter, we review what is known about the ion channels that mediate sensation in this remarkable model organism. Genetic screens for mutants defective in sensory-guided behaviors have identified genes encoding channel proteins, which are likely transducers of chemical, thermal, and mechanical stimuli. Such classical genetic approaches are now being coupled with molecular genetics and in vivo cellular physiology to elucidate how these channels are activated in specific sensory neurons. The ion channel superfamilies implicated in sensory transduction in C. elegans - CNG, TRP, and DEG/ENaC - are conserved across phyla and also appear to contribute to sensory transduction in other organisms, including vertebrates. What we learn about the role of these ion channels in C. elegans sensation is likely to illuminate analogous processes in other animals, including humans.

Electrochemical detection of uric acid using ruthenium-dioxide-coated carbon nanotube directly grown onto Si wafer

NASA Astrophysics Data System (ADS)

Shih, Yi-Ting; Lee, Kuei-Yi; Lin, Chung-Kuang

2015-12-01

Carbon nanotubes (CNTs) directly grown onto a Si substrate by thermal chemical vapor deposition were used in uric acid (UA) detection. The process is simple and formation is easy without the need for additional chemical treatments. However, CNTs lack selectivity and sensitivity to UA. To enhance the electrochemical analysis, ruthenium oxide was used as a catalytic mediator in the modification of electrodes. The electrochemical results show that RuO2 nanostructures coated onto CNTs can strengthen the UA signal. The peak currents of RuO2 nanostructures coated onto CNTs linearly increase with increasing UA concentration, meaning that they can work as electrodes for UA detection. The lowest detection limit and highest sensitivity were 55 nM and 4.36 µA/µM, respectively. Moreover, the characteristics of RuO2 nanostructures coated onto CNTs were examined by scanning electron microscopy, transmission electron microscopy, and Raman spectroscopy.

SimpleBox 4.0: Improving the model while keeping it simple….

PubMed

Hollander, Anne; Schoorl, Marian; van de Meent, Dik

2016-04-01

Chemical behavior in the environment is often modeled with multimedia fate models. SimpleBox is one often-used multimedia fate model, firstly developed in 1986. Since then, two updated versions were published. Based on recent scientific developments and experience with SimpleBox 3.0, a new version of SimpleBox was developed and is made public here: SimpleBox 4.0. In this new model, eight major changes were implemented: removal of the local scale and vegetation compartments, addition of lake compartments and deep ocean compartments (including the thermohaline circulation), implementation of intermittent rain instead of drizzle and of depth dependent soil concentrations, adjustment of the partitioning behavior for organic acids and bases as well as of the value for enthalpy of vaporization. In this paper, the effects of the model changes in SimpleBox 4.0 on the predicted steady-state concentrations of chemical substances were explored for different substance groups (neutral organic substances, acids, bases, metals) in a standard emission scenario. In general, the largest differences between the predicted concentrations in the new and the old model are caused by the implementation of layered ocean compartments. Undesirable high model complexity caused by vegetation compartments and a local scale were removed to enlarge the simplicity and user friendliness of the model. Copyright © 2016 Elsevier Ltd. All rights reserved.

Petit and grand ensemble Monte Carlo calculations of the thermodynamics of the lattice gas

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

Murch, G.E.; Thorn, R.J.

1978-11-01

A direct Monte Carlo method for estimating the chemical potential in the petit canonical ensemble was applied to the simple cubic Ising-like lattice gas. The method is based on a simple relationship between the chemical potential and the potential energy distribution in a lattice gas at equilibrium as derived independently by Widom, and Jackson and Klein. Results are presented here for the chemical potential at various compositions and temperatures above and below the zero field ferromagnetic and antiferromagnetic critical points. The same lattice gas model was reconstructed in the form of a restricted grand canonical ensemble and results at severalmore » temperatures were compared with those from the petit canonical ensemble. The agreement was excellent in these cases.« less

Comparison of electro and chemical cautery in the treatment of anterior epistaxis.

PubMed

Toner, J G; Walby, A P

1990-08-01

In the ENT Department of the Royal Victoria Hospital, Belfast, the impression (supported only by anecdotes) was that electro-cautery was superior to chemical cautery in the treatment of simple anterior epistaxis. Since no evaluation of the relative merits of electro and chemical cautery has been reported, a prospective randomized study was conducted to assess the effectiveness of electro-cautery and cautery with silver nitrate. The results of the study showed that there was no statistically significant difference between the two methods in either controlling the epistaxis or in the incidence of complications. It is concluded that since cautery with a silver nitrate tipped applicator is simpler, and of equal effectiveness, it would appear to be the treatment of choice for simple anterior epistaxis.

Chemical denudation and the role of sulfide oxidation at Werenskioldbreen, Svalbard

NASA Astrophysics Data System (ADS)

Stachnik, Łukasz; Majchrowska, Elżbieta; Yde, Jacob C.; Nawrot, Adam P.; Cichała-Kamrowska, Katarzyna; Ignatiuk, Dariusz; Piechota, Agnieszka

2016-07-01

This study aims to determine the rate of chemical denudation and the relationships between dominant geochemical reactions operating in the proglacial and subglacial environments of the polythermal glacier Werenskioldbreen (SW Svalbard) during an entire ablation season. Water sampling for major ion chemistry was performed at a proglacial hydrometric station and from subglacial outflows from May to September 2011. These data were combined with measurements of discharge and supraglacial ablation rates. The slopes and intercepts in best-fit regressions of [*Ca2+ + *Mg2+ vs. *SO42-] and [HCO3- vs. *SO42-] in meltwater from ice-marginal subglacial channels were close to the stoichiometric parameters of sulfide oxidation and simple hydrolysis coupled to carbonate dissolution (*concentrations corrected for input of sea-salt). This shows that these relationships predominates the meltwater chemistry. Our findings also show that sulfide oxidation is a better indicator of the configuration of subglacial drainage systems than, for instance, Na+ and K+. In the proglacial area and in sub-artesian outflows, the ion associations represent sulfide oxidation but other processes such as ion exchange and dissolution of Ca and Mg efflorescent salts may also contribute to the solute variations. These processes may cause enhanced fluxes of Ca2+ and HCO3- from glacierized basins during the early ablation and peak flow seasons as the proglacial salts re-dissolve. The overall chemical denudation rate in the basin for 2011 (ranging from 1601 to 1762 meq m-2 yr-1 (121.9 to 132.2 t km-2 yr-1)) was very high when compared to other Svalbard valley glaciers suggesting that the high rate of chemical denudation was mostly caused by the high rates of discharge and ablation. Chemical weathering intensities (876 and 964 meq m-3 yr-1) exceeded previously reported intensities in Svalbard.

Impact of thermal oxidation on chemical composition and magnetic properties of iron nanoparticles

NASA Astrophysics Data System (ADS)

Krajewski, Marcin; Brzozka, Katarzyna; Tokarczyk, Mateusz; Kowalski, Grzegorz; Lewinska, Sabina; Slawska-Waniewska, Anna; Lin, Wei Syuan; Lin, Hong Ming

2018-07-01

The main objective of this work is to study the influence of thermal oxidation on the chemical composition and magnetic properties of iron nanoparticles which were manufactured in a simple chemical reduction of Fe3+ ions coming from iron salt with sodium borohydride. The annealing processing was performed in an argon atmosphere containing the traces of oxygen to avoid spontaneous oxidation of iron at temperatures ranging from 200 °C to 800 °C. The chemical composition and magnetic properties of as-prepared and thermally-treated nanoparticles were determined by means of X-ray diffractometry, Raman spectroscopy, Mössbauer spectroscopy and vibrating sample magnetometry. Due to the magnetic interactions, the investigated iron nanoparticles tended to create the dense aggregates which were difficult to split even at low temperatures. This caused that there was no empty space between them, which led to their partial sintering at elevated temperatures. These features hindered their precise morphological observations using the electron microscopy techniques. The obtained results show that the annealing process up to 800 °C resulted in a progressive change in the chemical composition of as-prepared iron nanoparticles which was associated with their oxidation. As a consequence, their magnetic properties also depended on the annealing temperature. For instance, considering the values of saturation magnetization, its highest value was recorded for the as-prepared nanoparticles at 1 T and it equals 149 emu/g, while the saturation point for nanoparticles treated at 600 °C and higher temperatures was not reached even at the magnetic field of about 5 T. Moreover, a significant enhancement of coercivity was observed for the iron nanoparticles annealed over 600 °C.

Dry-Enzyme Test For Gaseous Chemicals

NASA Technical Reports Server (NTRS)

Barzana, Eduardo; Karel, Marcus; Klibanov, Alexander

1990-01-01

Simple, dry-chemical test detects ethanol in human breath. Method of test also adapted to detection of such toxic chemicals as formaldehyde in airstreams. Used qualitatively to detect chemical compounds above present level; for example, ethanol above legal level for driving. Also used to indicate quantitatively concentrations of compounds. Involves dry enzyme and color indicator. Adapted to detect any gaseous compound transformed by enzymes to produce change evident to human eye or to instrument.

Assessing the Performance of Computationally Simple and Complex Representations of Aerosol Processes using a Testbed Methodology

NASA Astrophysics Data System (ADS)

Fast, J. D.; Ma, P.; Easter, R. C.; Liu, X.; Zaveri, R. A.; Rasch, P.

2012-12-01

Predictions of aerosol radiative forcing in climate models still contain large uncertainties, resulting from a poor understanding of certain aerosol processes, the level of complexity of aerosol processes represented in models, and the ability of models to account for sub-grid scale variability of aerosols and processes affecting them. In addition, comparing the performance and computational efficiency of new aerosol process modules used in various studies is problematic because different studies often employ different grid configurations, meteorology, trace gas chemistry, and emissions that affect the temporal and spatial evolution of aerosols. To address this issue, we have developed an Aerosol Modeling Testbed (AMT) to systematically and objectively evaluate aerosol process modules. The AMT consists of the modular Weather Research and Forecasting (WRF) model, a series of testbed cases for which extensive in situ and remote sensing measurements of meteorological, trace gas, and aerosol properties are available, and a suite of tools to evaluate the performance of meteorological, chemical, aerosol process modules. WRF contains various parameterizations of meteorological, chemical, and aerosol processes and includes interactive aerosol-cloud-radiation treatments similar to those employed by climate models. In addition, the physics suite from a global climate model, Community Atmosphere Model version 5 (CAM5), has also been ported to WRF so that these parameterizations can be tested at various spatial scales and compared directly with field campaign data and other parameterizations commonly used by the mesoscale modeling community. In this study, we evaluate simple and complex treatments of the aerosol size distribution and secondary organic aerosols using the AMT and measurements collected during three field campaigns: the Megacities Initiative Local and Global Observations (MILAGRO) campaign conducted in the vicinity of Mexico City during March 2006, the Carbonaceous Aerosol and Radiative Effects Study (CARES) conducted in the vicinity of Sacramento California during June 2010, and the California Nexus (CalNex) campaign conducted in southern California during May and June of 2010. For the aerosol size distribution, we compare the predictions from the GOCART bulk aerosol model, the MADE/SORGAM modal aerosol model, the Modal Aerosol Model (MAM) employed by CAM5, and the Model for Simulating Aerosol Interactions and Chemistry (MOSAIC) which uses a sectional representation. For secondary organic aerosols, we compare simple fixed mass yield approaches with the numerically complex volatility basis set approach. All simulations employ the same emissions, meteorology, trace gas chemistry (except for that involving condensable organic species), and initial and boundary conditions. Performance metrics from the AMT are used to assess performance in terms of simulated mass, composition, size distribution (except for GOCART), and aerosol optical properties in relation to computational expense. In addition to statistical measures, qualitative differences among the different aerosol models over the computational domain are presented to examine variations in how aerosols age among the aerosol models.

Beyond terrestrial biology: charting the chemical universe of α-amino acid structures.

PubMed

Meringer, Markus; Cleaves, H James; Freeland, Stephen J

2013-11-25

α-Amino acids are fundamental to biochemistry as the monomeric building blocks with which cells construct proteins according to genetic instructions. However, the 20 amino acids of the standard genetic code represent a tiny fraction of the number of α-amino acid chemical structures that could plausibly play such a role, both from the perspective of natural processes by which life emerged and evolved, and from the perspective of human-engineered genetically coded proteins. Until now, efforts to describe the structures comprising this broader set, or even estimate their number, have been hampered by the complex combinatorial properties of organic molecules. Here, we use computer software based on graph theory and constructive combinatorics in order to conduct an efficient and exhaustive search of the chemical structures implied by two careful and precise definitions of the α-amino acids relevant to coded biological proteins. Our results include two virtual libraries of α-amino acid structures corresponding to these different approaches, comprising 121 044 and 3 846 structures, respectively, and suggest a simple approach to exploring much larger, as yet uncomputed, libraries of interest.

Single Aerosol Particle Studies Using Optical Trapping Raman And Cavity Ringdown Spectroscopy

NASA Astrophysics Data System (ADS)

Gong, Z.; Wang, C.; Pan, Y. L.; Videen, G.

2017-12-01

Due to the physical and chemical complexity of aerosol particles and the interdisciplinary nature of aerosol science that involves physics, chemistry, and biology, our knowledge of aerosol particles is rather incomplete; our current understanding of aerosol particles is limited by averaged (over size, composition, shape, and orientation) and/or ensemble (over time, size, and multi-particles) measurements. Physically, single aerosol particles are the fundamental units of any large aerosol ensembles. Chemically, single aerosol particles carry individual chemical components (properties and constituents) in particle ensemble processes. Therefore, the study of single aerosol particles can bridge the gap between aerosol ensembles and bulk/surface properties and provide a hierarchical progression from a simple benchmark single-component system to a mixed-phase multicomponent system. A single aerosol particle can be an effective reactor to study heterogeneous surface chemistry in multiple phases. Latest technological advances provide exciting new opportunities to study single aerosol particles and to further develop single aerosol particle instrumentation. We present updates on our recent studies of single aerosol particles optically trapped in air using the optical-trapping Raman and cavity ringdown spectroscopy.

Evaluation of the effect of salts on chemical, structural, textural, sensory and heating properties of cheese: Contribution of conventional methods and spectral ones.

PubMed

Loudiyi, M; Aït-Kaddour, A

2018-03-21

Chemical composition, sensory characteristics, textural and functional properties are among the most important characteristics, which directly relates to the global quality of cheese and to consumer acceptability. A number of factors including milk composition, processing conditions and salt content, influences these properties. The past decades many investigations were performed on the possibilities to reduce salt content of cheese due to its adverse health effects, the current lifestyle and the awareness of the consumers for nutrition quality products. Due to the multiple potential effects of reducing NaCl (simple reduction or substitution) on cheese attributes, it is of utmost importance to identify and understand those effects in order to control the global quality and safety of the final product. In the present review a collection of the different results and conclusions drawn after studying the effect of salts by conventional (e.g. wet chemistry) and instrumental (e.g. spectral) methods on chemical, structural, textural, sensory and heating properties of cheese are presented.

Luminescence behaviour of room temperature chemical processed all-inorganic CsPbCl3 perovskite cubes

NASA Astrophysics Data System (ADS)

Paul, T.; Chatterjee, B. K.; Maiti, S.; Besra, N.; Thakur, S.; Sarkar, S.; Chanda, K.; Das, A.; Sarkar, P. K.; Sardar, K.; Chattopadhyay, K. K.

2018-05-01

All inorganic perovskites with different halide constituent have recently truncated the eyes of researchers owing to their intriguing optoelectronic features and thereby their usage perspective in photovoltaic applications, light emitting didoes and lasing devices. Here, adopting a simple, environment benign ambient conditioned chemical synthesis approach we have realized high quality cesium lead halide perovskite (CsPbCl3) cube. The crystallinity and morphological characterizations were performed by X-ray diffraction and field emission scanning electron microscope measurements respectively while the chemical composition were examined via energy-dispersive X-ray spectroscopic measurement. The as synthesized cubes crystallized in cubic phase and exhibited intense photoluminescence emission at ˜418 nm with a small FWHM value and prolonged photoluminescence decay time˜41 ns. Besides photoluminescence, these cubes displayed strong cathodoluminescence also. Accelerating voltage dependent cathodoluminescence study showed discernable differences in luminescence behaviour. We expect this synthetic strategy to be promising as it can be easily scaled up to produce bulk quantity nanoforms of different inorganic perovskites in subtle manner for the realization of several types of nanoscale devices.

IF-WS{sub 2} nanoparticles size design and synthesis via chemical reduction

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

Ghoreishi, S.M., E-mail: ghoreshi@cc.iut.ac.ir; Meshkat, S.S.; Dadkhah, A.A.

2010-05-15

An innovative synthesis of inorganic fullerene-like disulfide tungsten (IF-WS{sub 2}) nanoparticles was developed using a chemical reduction reaction in a horizontal quartz reactor. In this process, first tungsten trisulfide (WS{sub 3}) was formed via a chemical reaction of tetra thiotungstate ammonium ((NH{sub 4}){sub 2}WS{sub 4}), polyethylene glycol (PEG), and hydrochloric acid (HCl) at ambient temperature and pressure. Subsequently, WS{sub 3} was reacted with hydrogen (H{sub 2}) at high temperature (1173-1373 K) in a quartz tube. The produced WS{sub 2} nanoparticles were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray (EDAX), and transmission electron microscopy (TEM). Themore » characterization results indicated that the high-purity (100%) IF-WS{sub 2} nanoparticles were produced. Moreover, addition of surfactant (PEG) and higher operating temperature (1173-1373 K) decreased the particles agglomeration, and consequently led to the reduction of average diameter of WS{sub 2} particles in the range of 50-78 nm. The developed method is simple, environmentally compatible, and cost-effective in contrast to the conventional techniques.« less

Biocatalytic Synthesis of the Rare Sugar Kojibiose: Process Scale-Up and Application Testing.

PubMed

Beerens, Koen; De Winter, Karel; Van de Walle, Davy; Grootaert, Charlotte; Kamiloglu, Senem; Miclotte, Lisa; Van de Wiele, Tom; Van Camp, John; Dewettinck, Koen; Desmet, Tom

2017-07-26

Cost-efficient (bio)chemical production processes are essential to evaluate the commercial and industrial applications of promising carbohydrates and also are essential to ensure economically viable production processes. Here, the synthesis of the naturally occurring disaccharide kojibiose (2-O-α-d-glucopyranosyl-d-glucopyranoside) was evaluated using different Bifidobacterium adolescentis sucrose phosphorylase variants. Variant L341I_Q345S was found to efficiently synthesize kojibiose while remaining fully active after 1 week of incubation at 55 °C. Process optimization allowed kojibiose production at the kilogram scale, and simple but efficient downstream processing, using a yeast treatment and crystallization, resulted in more than 3 kg of highly pure crystalline kojibiose (99.8%). These amounts allowed a deeper characterization of its potential in food applications. It was found to have possible beneficial health effects, including delayed glucose release and potential to trigger SCFA production. Finally, we compared the bulk functionality of highly pure kojibiose to that of sucrose, hereby mapping its potential as a new sweetener in confectionery products.

Fiber Bragg grating sensors for real-time monitoring of evacuation process

NASA Astrophysics Data System (ADS)

Guru Prasad, A. S.; Hegde, Gopalkrishna M.; Asokan, S.

2010-03-01

Fiber bragg grating (FBG) sensors have been widely used for number of sensing applications like temperature, pressure, acousto-ultrasonic, static and dynamic strain, refractive index change measurements and so on. Present work demonstrates the use of FBG sensors in in-situ measurement of vacuum process with simultaneous leak detection capability. Experiments were conducted in a bell jar vacuum chamber facilitated with conventional Pirani gauge for vacuum measurement. Three different experiments have been conducted to validate the performance of FBG sensor in monitoring vacuum creating process and air bleeding. The preliminary results of FBG sensors in vacuum monitoring have been compared with that of commercial Pirani gauge sensor. This novel technique offers a simple alternative to conventional method for real time monitoring of evacuation process. Proposed FBG based vacuum sensor has potential applications in vacuum systems involving hazardous environment such as chemical and gas plants, automobile industries, aeronautical establishments and leak monitoring in process industries, where the electrical or MEMS based sensors are prone to explosion and corrosion.

Scalable imprinting of shape-specific polymeric nanocarriers using a release layer of switchable water solubility.

PubMed

Agarwal, Rachit; Singh, Vikramjit; Jurney, Patrick; Shi, Li; Sreenivasan, S V; Roy, Krishnendu

2012-03-27

There is increasing interest in fabricating shape-specific polymeric nano- and microparticles for efficient delivery of drugs and imaging agents. The size and shape of these particles could significantly influence their transport properties and play an important role in in vivo biodistribution, targeting, and cellular uptake. Nanoimprint lithography methods, such as jet-and-flash imprint lithography (J-FIL), provide versatile top-down processes to fabricate shape-specific, biocompatible nanoscale hydrogels that can deliver therapeutic and diagnostic molecules in response to disease-specific cues. However, the key challenges in top-down fabrication of such nanocarriers are scalable imprinting with biological and biocompatible materials, ease of particle-surface modification using both aqueous and organic chemistry as well as simple yet biocompatible harvesting. Here we report that a biopolymer-based sacrificial release layer in combination with improved nanocarrier-material formulation can address these challenges. The sacrificial layer improves scalability and ease of imprint-surface modification due to its switchable solubility through simple ion exchange between monovalent and divalent cations. This process enables large-scale bionanoimprinting and efficient, one-step harvesting of hydrogel nanoparticles in both water- and organic-based imprint solutions. © 2012 American Chemical Society

Ionic Modification Turns Commercial Rubber into a Self-Healing Material.

PubMed

Das, Amit; Sallat, Aladdin; Böhme, Frank; Suckow, Marcus; Basu, Debdipta; Wiessner, Sven; Stöckelhuber, Klaus Werner; Voit, Brigitte; Heinrich, Gert

2015-09-23

Invented by Charles Goodyear, chemical cross-linking of rubbers by sulfur vulcanization is the only method by which modern automobile tires are manufactured. The formation of these cross-linked network structures leads to highly elastic properties, which substantially reduces the viscous properties of these materials. Here, we describe a simple approach to converting commercially available and widely used bromobutyl rubber (BIIR) into a highly elastic material with extraordinary self-healing properties without using conventional cross-linking or vulcanising agents. Transformation of the bromine functionalities of BIIR into ionic imidazolium bromide groups results in the formation of reversible ionic associates that exhibit physical cross-linking ability. The reversibility of the ionic association facilitates the healing processes by temperature- or stress-induced rearrangements, thereby enabling a fully cut sample to retain its original properties after application of the self-healing process. Other mechanical properties, such as the elastic modulus, tensile strength, ductility, and hysteresis loss, were found to be superior to those of conventionally sulfur-cured BIIR. This simple and easy approach to preparing a commercial rubber with self-healing properties offers unique development opportunities in the field of highly engineered materials, such as tires, for which safety, performance, and longer fatigue life are crucial factors.

Fabrication of electric papers of graphene nanosheet shelled cellulose fibres by dispersion and infiltration as flexible electrodes for energy storage.

PubMed

Kang, Yan-Ru; Li, Ya-Li; Hou, Feng; Wen, Yang-Yang; Su, Dong

2012-05-21

An electrically conductive and electrochemically active composite paper of graphene nanosheet (GNS) coated cellulose fibres was fabricated via a simple paper-making process of dispersing chemically synthesized GNS into a cellulose pulp, followed by infiltration. The GNS nanosheet was deposited onto the cellulose fibers, forming a coating, during infiltration. It forms a continuous network through a bridge of interconnected cellulose fibres at small GNS loadings (3.2 wt%). The GNS/cellulose paper is as flexible and mechanically tough as the pure cellulose paper. The electrical measurements show the composite paper has a sheet resistance of 1063 Ω□(-1) and a conductivity of 11.6 S m(-1). The application of the composite paper as a flexible double layer supercapacitor in an organic electrolyte (LiPF(6)) displays a high capacity of 252 F g(-1) at a current density of 1 A g(-1) with respect to GNS. Moreover, the paper can be used as the anode in a lithium battery, showing distinct charge and discharge performances. The simple process for synthesising the GNS functionalized cellulose papers is attractive for the development of high performance papers for electrical, electrochemical and multifunctional applications.

On a Possible Unified Scaling Law for Volcanic Eruption Durations

PubMed Central

Cannavò, Flavio; Nunnari, Giuseppe

2016-01-01

Volcanoes constitute dissipative systems with many degrees of freedom. Their eruptions are the result of complex processes that involve interacting chemical-physical systems. At present, due to the complexity of involved phenomena and to the lack of precise measurements, both analytical and numerical models are unable to simultaneously include the main processes involved in eruptions thus making forecasts of volcanic dynamics rather unreliable. On the other hand, accurate forecasts of some eruption parameters, such as the duration, could be a key factor in natural hazard estimation and mitigation. Analyzing a large database with most of all the known volcanic eruptions, we have determined that the duration of eruptions seems to be described by a universal distribution which characterizes eruption duration dynamics. In particular, this paper presents a plausible global power-law distribution of durations of volcanic eruptions that holds worldwide for different volcanic environments. We also introduce a new, simple and realistic pipe model that can follow the same found empirical distribution. Since the proposed model belongs to the family of the self-organized systems it may support the hypothesis that simple mechanisms can lead naturally to the emergent complexity in volcanic behaviour. PMID:26926425

On a Possible Unified Scaling Law for Volcanic Eruption Durations.

PubMed

Cannavò, Flavio; Nunnari, Giuseppe

2016-03-01

Volcanoes constitute dissipative systems with many degrees of freedom. Their eruptions are the result of complex processes that involve interacting chemical-physical systems. At present, due to the complexity of involved phenomena and to the lack of precise measurements, both analytical and numerical models are unable to simultaneously include the main processes involved in eruptions thus making forecasts of volcanic dynamics rather unreliable. On the other hand, accurate forecasts of some eruption parameters, such as the duration, could be a key factor in natural hazard estimation and mitigation. Analyzing a large database with most of all the known volcanic eruptions, we have determined that the duration of eruptions seems to be described by a universal distribution which characterizes eruption duration dynamics. In particular, this paper presents a plausible global power-law distribution of durations of volcanic eruptions that holds worldwide for different volcanic environments. We also introduce a new, simple and realistic pipe model that can follow the same found empirical distribution. Since the proposed model belongs to the family of the self-organized systems it may support the hypothesis that simple mechanisms can lead naturally to the emergent complexity in volcanic behaviour.

Reliable and cost effective design of intermetallic Ni2Si nanowires and direct characterization of its mechanical properties

NASA Astrophysics Data System (ADS)

Han, Seung Zeon; Kang, Joonhee; Kim, Sung-Dae; Choi, Si-Young; Kim, Hyung Giun; Lee, Jehyun; Kim, Kwangho; Lim, Sung Hwan; Han, Byungchan

2015-10-01

We report that a single crystal Ni2Si nanowire (NW) of intermetallic compound can be reliably designed using simple three-step processes: casting a ternary Cu-Ni-Si alloy, nucleate and growth of Ni2Si NWs as embedded in the alloy matrix via designing discontinuous precipitation (DP) of Ni2Si nanoparticles and thermal aging, and finally chemical etching to decouple the Ni2Si NWs from the alloy matrix. By direct application of uniaxial tensile tests to the Ni2Si NW we characterize its mechanical properties, which were rarely reported in previous literatures. Using integrated studies of first principles density functional theory (DFT) calculations, high-resolution transmission electron microscopy (HRTEM), and energy-dispersive X-ray spectroscopy (EDX) we accurately validate the experimental measurements. Our results indicate that our simple three-step method enables to design brittle Ni2Si NW with high tensile strength of 3.0 GPa and elastic modulus of 60.6 GPa. We propose that the systematic methodology pursued in this paper significantly contributes to opening innovative processes to design various kinds of low dimensional nanomaterials leading to advancement of frontiers in nanotechnology and related industry sectors.

A high-throughput media design approach for high performance mammalian fed-batch cultures

PubMed Central

Rouiller, Yolande; Périlleux, Arnaud; Collet, Natacha; Jordan, Martin; Stettler, Matthieu; Broly, Hervé

2013-01-01

An innovative high-throughput medium development method based on media blending was successfully used to improve the performance of a Chinese hamster ovary fed-batch medium in shaking 96-deepwell plates. Starting from a proprietary chemically-defined medium, 16 formulations testing 43 of 47 components at 3 different levels were designed. Media blending was performed following a custom-made mixture design of experiments considering binary blends, resulting in 376 different blends that were tested during both cell expansion and fed-batch production phases in one single experiment. Three approaches were chosen to provide the best output of the large amount of data obtained. A simple ranking of conditions was first used as a quick approach to select new formulations with promising features. Then, prediction of the best mixes was done to maximize both growth and titer using the Design Expert software. Finally, a multivariate analysis enabled identification of individual potential critical components for further optimization. Applying this high-throughput method on a fed-batch, rather than on a simple batch, process opens new perspectives for medium and feed development that enables identification of an optimized process in a short time frame. PMID:23563583

Reliable and cost effective design of intermetallic Ni2Si nanowires and direct characterization of its mechanical properties.

PubMed

Han, Seung Zeon; Kang, Joonhee; Kim, Sung-Dae; Choi, Si-Young; Kim, Hyung Giun; Lee, Jehyun; Kim, Kwangho; Lim, Sung Hwan; Han, Byungchan

2015-10-12

We report that a single crystal Ni2Si nanowire (NW) of intermetallic compound can be reliably designed using simple three-step processes: casting a ternary Cu-Ni-Si alloy, nucleate and growth of Ni2Si NWs as embedded in the alloy matrix via designing discontinuous precipitation (DP) of Ni2Si nanoparticles and thermal aging, and finally chemical etching to decouple the Ni2Si NWs from the alloy matrix. By direct application of uniaxial tensile tests to the Ni2Si NW we characterize its mechanical properties, which were rarely reported in previous literatures. Using integrated studies of first principles density functional theory (DFT) calculations, high-resolution transmission electron microscopy (HRTEM), and energy-dispersive X-ray spectroscopy (EDX) we accurately validate the experimental measurements. Our results indicate that our simple three-step method enables to design brittle Ni2Si NW with high tensile strength of 3.0 GPa and elastic modulus of 60.6 GPa. We propose that the systematic methodology pursued in this paper significantly contributes to opening innovative processes to design various kinds of low dimensional nanomaterials leading to advancement of frontiers in nanotechnology and related industry sectors.

Chemistry Teaching and Learning in the Context of a Problem Found at Home

ERIC Educational Resources Information Center

Vogelezang, Michiel

2012-01-01

Noticing the presence of colourless crystals in a glass of white wine was the starting point for some simple experiments to identify their chemical nature. The author did not succeed in identifying the chemical, but learned about the presence of an acid-base indicator. In retrospect, he was aware of the special chemical way he had considered the…

Slow Release Of Reagent Chemicals From Gel Matrices

NASA Technical Reports Server (NTRS)

Debnam, William J.; Barber, Patrick G.; Coleman, James

1988-01-01

Procedure developed for slow release of reagent chemicals into solutions. Simple and inexpensive and not subject to failure of equipment. Use of toothpaste-type tube or pump dispenser conceivably provides more controlled technique for storage and dispensation of gel matrix. Possible uses include controlled, slow release of reagents in chemical reactions, crystal growth, space-flight experiments, and preformed gel medications from packets.

A novel and simple model of the uptake of organic chemicals by vegetation from air and soil.

PubMed

Hung, H; Mackay, D

1997-09-01

A novel and simple three-compartment fugacity model has been developed to predict the kinetics and equilibria of the uptake of organic chemicals in herbaceous agricultural plants at various times, including the time of harvest using only readily available input data. The chemical concentration in each of the three plant compartments leaf, stem which includes fruits and seeds, and root) is expressed as a function of both time and chemical concentrations in soil and air. The model was developed using the fugacity concept; however, the final expressions are presented in terms of concentrations in soil and air, equilibrium partition coefficients and a set of transport and transformation half-lives. An illustrative application of the model is presented which describes the uptake of bromacil by a soybean plant under hydroponic conditions. The model, which is believed to give acceptably accurate prediction of the distribution of chemicals among plant tissues, air and soil, may be used for the assessment of exposure to, and risk from contaminants consumed either directly from vegetation or indirectly in natural and agricultural food chains.

Chemistry at a Science Museum

ERIC Educational Resources Information Center

Silberman, Robert G.; Trautmann, Charles; Merkel, Susan M.

2004-01-01

The Sciencenter Museum in Ithaca, New York, materialized from the idea of providing children and museum visitors with hands-on experience of simple chemical activities and puzzles. A brief description and evaluation of the ten fun-filled chemical activities, precautionary measures and management details, are presented.

Bio-based extraction and stabilization of anthocyanins.

PubMed

Roy, Anirban; Mukherjee, Rudra Palash; Howard, Luke; Beitle, Robert

2016-05-01

This work reports a novel method of recovering anthocyanin compounds from highly-pigmented grapes via a fermentation based approach. It was hypothesized that batch growth of Zymomonas mobilis on simple medium would produce both ethanol and enzymes/biomass-acting materials, the combination of which will provide a superior extraction when compared to simple alcohol extraction. To examine this hypothesis, Z. mobilis was fermented in a batch consisting of mashed Vitis vinifera and glucose, and the recovered anthocyanin pool was compared to that recovered via extraction with ethanol. Data indicated higher amounts of anthocyanins were recovered when compared to simple solvent addition. Additionally, the percent polymeric form of the anthocyanins could be manipulated by the level of aeration maintained in the fermentation. © 2016 American Institute of Chemical Engineers Biotechnol. Prog., 32:601-605, 2016. © 2016 American Institute of Chemical Engineers.

Simple fluorescence-based high throughput cell viability assay for filamentous fungi.

PubMed

Chadha, S; Kale, S P

2015-09-01

Filamentous fungi are important model organisms to understand the eukaryotic process and have been frequently exploited in research and industry. These fungi are also causative agents of serious diseases in plants and humans. Disease management strategies include in vitro susceptibility testing of the fungal pathogens to environmental conditions and antifungal agents. Conventional methods used for antifungal susceptibilities are cumbersome, time-consuming and are not suitable for a large-scale analysis. Here, we report a rapid, high throughput microplate-based fluorescence method for investigating the toxicity of antifungal and stress (osmotic, salt and oxidative) agents on Magnaporthe oryzae and compared it with agar dilution method. This bioassay is optimized for the resazurin reduction to fluorescent resorufin by the fungal hyphae. Resazurin bioassay showed inhibitory rates and IC50 values comparable to the agar dilution method and to previously reported IC50 or MICs for M. oryzae and other fungi. The present method can screen range of test agents from different chemical classes with different modes of action for antifungal activities in a simple, sensitive, time and cost effective manner. A simple fluorescence-based high throughput method is developed to test the effects of stress and antifungal agents on viability of filamentous fungus Magnaporthe oryzae. This resazurin fluorescence assay can detect inhibitory effects comparable to those obtained using the growth inhibition assay with added advantages of simplicity, time and cost effectiveness. This high throughput viability assay has a great potential in large-scale screening of the chemical libraries of antifungal agents, for evaluating the effects of environmental conditions and hyphal kinetic studies in mutant and natural populations of filamentous fungi. © 2015 The Society for Applied Microbiology.

A simple rhodamine hydrazide-based turn-on fluorescent probe for HOCl detection.

PubMed

Zhang, Zhen; Zou, Yuan; Deng, Chengquan; Meng, Liesu

2016-06-01

Hypochlorous acid (HOCl) plays a crucial role in daily life and mediates a variety of physiological processes, however, abnormal levels of HOCl have been associated with numerous human diseases. It is therefore of significant interest to establish a simple, selective, rapid and sensitive fluorogenic method for the detection of HOCl in environmental and biological samples. A hydrazide-containing fluorescent probe based on a rhodamine scaffold was facilely developed that could selectively detect HOCl over other biologically relevant reactive oxygen species, reactive nitrogen species and most common metal ions in vitro. Via an irreversible oxidation-hydrolysis mechanism, and upon HOCl-triggered opening of the intramolecular spirocyclic ring during detection, the rhodamine hydrazide-based probe exhibited large fluorescence enhancement in the emission spectra with a fast response, low detection limit and comparatively wide pH detection range in aqueous media. The probe was further successfully applied to monitoring trace HOCl in tap water and imaging both exogenous and endogenous HOCl within living cells. It is anticipated that this simple and useful probe might be an efficient tool with which to facilitate more HOCl-related chemical and biological research. Copyright © 2015 John Wiley & Sons, Ltd. Copyright © 2015 John Wiley & Sons, Ltd.

Toward High-Efficiency Solution-Processed Planar Heterojunction Sb2S3 Solar Cells.

PubMed

Zimmermann, Eugen; Pfadler, Thomas; Kalb, Julian; Dorman, James A; Sommer, Daniel; Hahn, Giso; Weickert, Jonas; Schmidt-Mende, Lukas

2015-05-01

Low-cost hybrid solar cells have made tremendous steps forward during the past decade owing to the implementation of extremely thin inorganic coatings as absorber layers, typically in combination with organic hole transporters. Using only extremely thin films of these absorbers reduces the requirement of single crystalline high-quality materials and paves the way for low-cost solution processing compatible with roll-to-roll fabrication processes. To date, the most efficient absorber material, except for the recently introduced organic-inorganic lead halide perovskites, has been Sb 2 S 3 , which can be implemented in hybrid photovoltaics using a simple chemical bath deposition. Current high-efficiency Sb 2 S 3 devices utilize absorber coatings on nanostructured TiO 2 electrodes in combination with polymeric hole transporters. This geometry has so far been the state of the art, even though flat junction devices would be conceptually simpler with the additional potential of higher open circuit voltages due to reduced charge carrier recombination. Besides, the role of the hole transporter is not completely clarified yet. In particular, additional photocurrent contribution from the polymers has not been directly shown, which points toward detrimental parasitic light absorption in the polymers. This study presents a fine-tuned chemical bath deposition method that allows fabricating solution-processed low-cost flat junction Sb 2 S 3 solar cells with the highest open circuit voltage reported so far for chemical bath devices and efficiencies exceeding 4%. Characterization of back-illuminated solar cells in combination with transfer matrix-based simulations further allows to address the issue of absorption losses in the hole transport material and outline a pathway toward more efficient future devices.

Effects of Buoyancy on Laminar, Transitional, and Turbulent Gas Jet Diffusion Flames

NASA Technical Reports Server (NTRS)

Bahadori, M. Yousef; Stocker, Dennis P.; Vaughan, David F.; Zhou, Liming; Edelman, Raymond B.

1993-01-01

Gas jet diffusion flames have been a subject of research for many years. However, a better understanding of the physical and chemical phenomena occurring in these flames is still needed, and, while the effects of gravity on the burning process have been observed, the basic mechanisms responsible for these changes have yet to be determined. The fundamental mechanisms that control the combustion process are in general coupled and quite complicated. These include mixing, radiation, kinetics, soot formation and disposition, inertia, diffusion, and viscous effects. In order to understand the mechanisms controlling a fire, laboratory-scale laminar and turbulent gas-jet diffusion flames have been extensively studied, which have provided important information in relation to the physico-chemical processes occurring in flames. However, turbulent flames are not fully understood and their understanding requires more fundamental studies of laminar diffusion flames in which the interplay of transport phenomena and chemical kinetics is more tractable. But even this basic, relatively simple flame is not completely characterized in relation to soot formation, radiation, diffusion, and kinetics. Therefore, gaining an understanding of laminar flames is essential to the understanding of turbulent flames, and particularly fires, in which the same basic phenomena occur. In order to improve and verify the theoretical models essential to the interpretation of data, the complexity and degree of coupling of the controlling mechanisms must be reduced. If gravity is isolated, the complication of buoyancy-induced convection would be removed from the problem. In addition, buoyant convection in normal gravity masks the effects of other controlling parameters on the flame. Therefore, the combination of normal-gravity and microgravity data would provide the information, both theoretical and experimental, to improve our understanding of diffusion flames in general, and the effects of gravity on the burning process in particular.

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

Shkrob, Ilya A.; Gilbert, James A.; Phillips, Patrick J.

Lithiated ternary oxides containing nickel, cobalt, and manganese are intercalation compounds that are used as positive electrodes in high-energy lithium-ion batteries. These materials undergo compositional changes that adversely affect their cycling performance when they are stored in humid air or exposed to moisture. There is a new urgency to better understanding of these “weathering” processes as manufacturing moves towards a more environmentally benign aqueous processing of the positive electrode. Delithiation in the oxide subsurface regions and the formation of lithium salts (such as hydroxides and carbonates) coating the surface, have been suggested as chemical drivers for these processes, but themore » mechanistic details remain poorly known. The redox reactions which follow oxide delithiation are believed to cause all of the observed transformations. In this article we suggest another possibility: namely, the proton – lithium exchange. We argue that this hypothesis provides a simple, comprehensive rationale for our observations from X-ray diffraction, X-ray photoelectron spectroscopy, scanning transmission electron microscopy, and electrochemical measurements. These observations include contraction of the c-axis (unit cell) lattice parameter, strain in the crystalline oxide bulk, directionality of the chemical damage, formation of amorphous surface films, and the partial recovery of capacity loss by electrochemical relithiation of the material. Lastly, these effects need to be mitigated before aqueous processing of the positive electrode can find widespread adoption during cell manufacturing.« less

Safety in the Chemical Laboratory: Laboratory Air Quality: Part I. A Concentration Model.

ERIC Educational Resources Information Center

Butcher, Samuel S.; And Others

1985-01-01

Offers a simple model for estimating vapor concentrations in instructional laboratories. Three methods are described for measuring ventilation rates, and the results of measurements in six laboratories are presented. The model should provide a simple screening tool for evaluating worst-case personal exposures. (JN)

A Physically Based Coupled Chemical and Physical Weathering Model for Simulating Soilscape Evolution

NASA Astrophysics Data System (ADS)

Willgoose, G. R.; Welivitiya, D.; Hancock, G. R.

2015-12-01

A critical missing link in existing landscape evolution models is a dynamic soil evolution models where soils co-evolve with the landform. Work by the authors over the last decade has demonstrated a computationally manageable model for soil profile evolution (soilscape evolution) based on physical weathering. For chemical weathering it is clear that full geochemistry models such as CrunchFlow and PHREEQC are too computationally intensive to be couplable to existing soilscape and landscape evolution models. This paper presents a simplification of CrunchFlow chemistry and physics that makes the task feasible, and generalises it for hillslope geomorphology applications. Results from this simplified model will be compared with field data for soil pedogenesis. Other researchers have previously proposed a number of very simple weathering functions (e.g. exponential, humped, reverse exponential) as conceptual models of the in-profile weathering process. The paper will show that all of these functions are possible for specific combinations of in-soil environmental, geochemical and geologic conditions, and the presentation will outline the key variables controlling which of these conceptual models can be realistic models of in-profile processes and under what conditions. The presentation will finish by discussing the coupling of this model with a physical weathering model, and will show sample results from our SSSPAM soilscape evolution model to illustrate the implications of including chemical weathering in the soilscape evolution model.

Use of large pieces of printed circuit boards for bioleaching to avoid ‘precipitate contamination problem’ and to simplify overall metal recovery

PubMed Central

Adhapure, N.N.; Dhakephalkar, P.K.; Dhakephalkar, A.P.; Tembhurkar, V.R.; Rajgure, A.V.; Deshmukh, A.M.

2014-01-01

Very recently bioleaching has been used for removing metals from electronic waste. Most of the research has been targeted to using pulverized PCBs for bioleaching where precipitate formed during bioleaching contaminates the pulverized PCB sample and making the overall metal recovery process more complicated. In addition to that, such mixing of pulverized sample with precipitate also creates problems for the final separation of non metallic fraction of PCB sample. In the present investigation we attempted the use of large pieces of printed circuit boards instead of pulverized sample for removal of metals. Use of large pieces of PCBs for bioleaching was restricted due to the chemical coating present on PCBs, the problem has been solved by chemical treatment of PCBs prior to bioleaching. In short,•Large pieces of PCB can be used for bioleaching instead of pulverized PCB sample.•Metallic portion on PCBs can be made accessible to bacteria with prior chemical treatment of PCBs.•Complete metal removal obtained on PCB pieces of size 4 cm × 2.5 cm with the exception of solder traces. The final metal free PCBs (non metallic) can be easily recycled and in this way the overall recycling process (metallic and non metallic part) of PCBs becomes simple. PMID:26150951

Morphology, production, and chemical content performance of black rice Matesih accession with several comparisons

NASA Astrophysics Data System (ADS)

Nandariyah; Purwanto, E.; Meidini, A. N.

2018-03-01

Rice (Oryza sativa L.) is an important food crop in Indonesia. In Matesih area, Karanganyar, recently found new varieties of black rice cultured by local farmers which morphology and chemical content have not yet identified. The purpose of this research was to obtain information of morphology, production, and chemical content of black rice matesih accession and to compare the appearance in order to detect the superiority of black rice matesih accession with the comparison of other accession of black rice. There were four accessions of black rice tested, namely Matesih Accession, Klaten Accession, Toraja, and Cempo. Research data were divided into qualitative data which processed by scoring, and quantitative data are processed with simple descriptive statistic. The kinship test was done by using NTSYSpc program with SIMQual and SIMInt function. The observation of qualitative properties indicates that accession matesih has a form that is relatively similar to other accessions. Qualitatively, accession matesih superior at leaf length, leaf width, plant height and culm diameter. Klaten accession has higher production than accession matesih. Matesih accession has the advantage of having shorter period on heading time and harvest time than other accessions. Matesih accession has the highest amylose content, lower protein content than klaten accession and lower content of anthocyanin than toraja accession. The kinship analysis showed that matesih accession and klaten accession has close kinship.

Use of large pieces of printed circuit boards for bioleaching to avoid 'precipitate contamination problem' and to simplify overall metal recovery.

PubMed

Adhapure, N N; Dhakephalkar, P K; Dhakephalkar, A P; Tembhurkar, V R; Rajgure, A V; Deshmukh, A M

2014-01-01

Very recently bioleaching has been used for removing metals from electronic waste. Most of the research has been targeted to using pulverized PCBs for bioleaching where precipitate formed during bioleaching contaminates the pulverized PCB sample and making the overall metal recovery process more complicated. In addition to that, such mixing of pulverized sample with precipitate also creates problems for the final separation of non metallic fraction of PCB sample. In the present investigation we attempted the use of large pieces of printed circuit boards instead of pulverized sample for removal of metals. Use of large pieces of PCBs for bioleaching was restricted due to the chemical coating present on PCBs, the problem has been solved by chemical treatment of PCBs prior to bioleaching. In short,•Large pieces of PCB can be used for bioleaching instead of pulverized PCB sample.•Metallic portion on PCBs can be made accessible to bacteria with prior chemical treatment of PCBs.•Complete metal removal obtained on PCB pieces of size 4 cm × 2.5 cm with the exception of solder traces. The final metal free PCBs (non metallic) can be easily recycled and in this way the overall recycling process (metallic and non metallic part) of PCBs becomes simple.

Comparison of alkaline industrial wastes for aqueous mineral carbon sequestration through a parallel reactivity study.

PubMed

Noack, Clinton W; Dzombak, David A; Nakles, David V; Hawthorne, Steven B; Heebink, Loreal V; Dando, Neal; Gershenzon, Michael; Ghosh, Rajat S

2014-10-01

Thirty-one alkaline industrial wastes from a wide range of industrial processes were acquired and screened for application in an aqueous carbon sequestration process. The wastes were evaluated for their potential to leach polyvalent cations and base species. Following mixing with a simple sodium bicarbonate solution, chemistries of the aqueous and solid phases were analyzed. Experimental results indicated that the most reactive materials were capable of sequestering between 77% and 93% of the available carbon under experimental conditions in four hours. These materials - cement kiln dust, spray dryer absorber ash, and circulating dry scrubber ash - are thus good candidates for detailed, process-oriented studies. Chemical equilibrium modeling indicated that amorphous calcium carbonate is likely responsible for the observed sequestration. High variability and low reactive fractions render many other materials less attractive for further pursuit without considering preprocessing or activation techniques. Copyright © 2014 Elsevier Ltd. All rights reserved.

Ultrafast protein structure-based virtual screening with Panther

NASA Astrophysics Data System (ADS)

Niinivehmas, Sanna P.; Salokas, Kari; Lätti, Sakari; Raunio, Hannu; Pentikäinen, Olli T.

2015-10-01

Molecular docking is by far the most common method used in protein structure-based virtual screening. This paper presents Panther, a novel ultrafast multipurpose docking tool. In Panther, a simple shape-electrostatic model of the ligand-binding area of the protein is created by utilizing the protein crystal structure. The features of the possible ligands are then compared to the model by using a similarity search algorithm. On average, one ligand can be processed in a few minutes by using classical docking methods, whereas using Panther processing takes <1 s. The presented Panther protocol can be used in several applications, such as speeding up the early phases of drug discovery projects, reducing the number of failures in the clinical phase of the drug development process, and estimating the environmental toxicity of chemicals. Panther-code is available in our web pages (http://www.jyu.fi/panther) free of charge after registration.

Ultrafast protein structure-based virtual screening with Panther.

PubMed

Niinivehmas, Sanna P; Salokas, Kari; Lätti, Sakari; Raunio, Hannu; Pentikäinen, Olli T

2015-10-01

Molecular docking is by far the most common method used in protein structure-based virtual screening. This paper presents Panther, a novel ultrafast multipurpose docking tool. In Panther, a simple shape-electrostatic model of the ligand-binding area of the protein is created by utilizing the protein crystal structure. The features of the possible ligands are then compared to the model by using a similarity search algorithm. On average, one ligand can be processed in a few minutes by using classical docking methods, whereas using Panther processing takes <1 s. The presented Panther protocol can be used in several applications, such as speeding up the early phases of drug discovery projects, reducing the number of failures in the clinical phase of the drug development process, and estimating the environmental toxicity of chemicals. Panther-code is available in our web pages (http://www.jyu.fi/panther) free of charge after registration.

Dimension reduction for stochastic dynamical systems forced onto a manifold by large drift: a constructive approach with examples from theoretical biology

NASA Astrophysics Data System (ADS)

Parsons, Todd L.; Rogers, Tim

2017-10-01

Systems composed of large numbers of interacting agents often admit an effective coarse-grained description in terms of a multidimensional stochastic dynamical system, driven by small-amplitude intrinsic noise. In applications to biological, ecological, chemical and social dynamics it is common for these models to posses quantities that are approximately conserved on short timescales, in which case system trajectories are observed to remain close to some lower-dimensional subspace. Here, we derive explicit and general formulae for a reduced-dimension description of such processes that is exact in the limit of small noise and well-separated slow and fast dynamics. The Michaelis-Menten law of enzyme-catalysed reactions, and the link between the Lotka-Volterra and Wright-Fisher processes are explored as a simple worked examples. Extensions of the method are presented for infinite dimensional systems and processes coupled to non-Gaussian noise sources.

Influence of porewidening duration on the template assisted growth of graphitic carbon nitride nanostructures

NASA Astrophysics Data System (ADS)

Suchitra, S. M.; Udayashankar, N. K.

2018-01-01

Porous anodic aluminium oxide (AAO) membranes with a highly ordered pore arrangement are typically used as ideal templates for the synthesis of numerous nanostructured materials. Highly ordered templates gained significant attraction due to the fact that they are readily fabricated through self-organised simple anodization process. In this paper, the effect of different pore-widening treatments on the quality of the pores of the AAO templates prepared with different electrolytes were inspected. Results confirmed that, without altering the interpore distance different pore dimensions and diameters of the AAO templates can be easily achieved by chemical pore widening process at room temperature. Also, graphitic carbon nitride nanorods of different dimension have been fabricated from AAO template after porewidening process. These nanostructures are widely used in case of metal free visible light driven photo catalysis, photo degradation of organic pollutants, photo electric conversion and water splitting applications.

Combining micelle-clay sorption to solar photo-Fenton processes for domestic wastewater treatment.

PubMed

Brienza, Monica; Nir, Shlomo; Plantard, Gael; Goetz, Vincent; Chiron, Serge

2018-06-08

A tertiary treatment of effluent from a biological domestic wastewater treatment plant was tested by combining filtration and solar photocatalysis. Adsorption was carried out by a sequence of two column filters, the first one filled with granular activated carbon (GAC) and the second one with granulated nano-composite of micelle-montmorillonite mixed with sand (20:100, w/w). The applied solar advanced oxidation process was homogeneous photo-Fenton photocatalysis using peroxymonosulfate (PMS) as oxidant agent. This combination of simple, robust, and low-cost technologies aimed to ensure water disinfection and emerging contaminants (ECs, mainly pharmaceuticals) removal. The filtration step showed good performances in removing dissolved organic matter and practically removing all bacteria such as Escherichia coli and Enterococcus faecalis from the secondary treated water. Solar advanced oxidation processes were efficient in elimination of trace levels of ECs. The final effluent presented an improved sanitary level with acceptable chemical and biological characteristics for irrigation.

The effect of membrane filtration on dissolved trace element concentrations

USGS Publications Warehouse

Horowitz, A.J.; Lum, K.R.; Garbarino, J.R.; Hall, G.E.M.; Lemieux, C.; Demas, C.R.

1996-01-01

The almost universally accepted operational definition for dissolved constituents is based on processing whole-water samples through a 0.45-??m membrane filter. Results from field and laboratory experiments indicate that a number of factors associated with filtration, other than just pore size (e.g., diameter, manufacturer, volume of sample processed, amount of suspended sediment in the sample), can produce substantial variations in the 'dissolved' concentrations of such elements as Fe, Al, Cu, Zn, Pb, Co, and Ni. These variations result from the inclusion/exclusion of colloidally- associated trace elements. Thus, 'dissolved' concentrations quantitated by analyzing filtrates generated by processing whole-water through similar pore- sized membrane filters may not be equal/comparable. As such, simple filtration through a 0.45-??m membrane filter may no longer represent an acceptable operational definition for dissolved chemical constituents. This conclusion may have important implications for environmental studies and regulatory agencies.

Ultrafast dynamics of low-energy electron attachment via a non-valence correlation-bound state

NASA Astrophysics Data System (ADS)

Rogers, Joshua P.; Anstöter, Cate S.; Verlet, Jan R. R.

2018-03-01

The primary electron-attachment process in electron-driven chemistry represents one of the most fundamental chemical transformations with wide-ranging importance in science and technology. However, the mechanistic detail of the seemingly simple reaction of an electron and a neutral molecule to form an anion remains poorly understood, particularly at very low electron energies. Here, time-resolved photoelectron imaging was used to probe the electron-attachment process to a non-polar molecule using time-resolved methods. An initially populated diffuse non-valence state of the anion that is bound by correlation forces evolves coherently in ∼30 fs into a valence state of the anion. The extreme efficiency with which the correlation-bound state serves as a doorway state for low-energy electron attachment explains a number of electron-driven processes, such as anion formation in the interstellar medium and electron attachment to fullerenes.

A simple process to obtain anisotropic self-biased magnets constituted of stacked barium ferrite single domain particles

NASA Astrophysics Data System (ADS)

Mattei, Jean-Luc; Le, Cong Nha; Chevalier, Alexis; Maalouf, Azar; Noutehou, Nathan; Queffelec, Patrick; Laur, Vincent

2018-04-01

An efficient and inexpensive process is presented that produces highly oriented bulk compacts made of BaM particles. Barium hexaferrite particles (BaM, nominal composition BaFe11O19) were prepared by a chemical coprecipitation method, using different rates and types of precipitating agents (NaOH and Na2CO3). It was demonstrated that when a large excess of Na2CO3 is used, a noteworthy packing of hexagonal BaM platelets is obtained, after mechanical compaction and firing at moderate temperature (1140 °C), without including any more steps than those required for a conventional sintering process. The hysteresis loop displays a very competitive squareness of 0.88 (normalized remanent magnetization) and a coercivity of 215 kA/m, which make this BaM bulk ferrite suitable for self-biased applications.

Assessing Chemical Retention Process Controls in Ponds

NASA Astrophysics Data System (ADS)

Torgersen, T.; Branco, B.; John, B.

2002-05-01

Small ponds are a ubiquitous component of the landscape and have earned a reputation as effective chemical retention devices. The most common characterization of pond chemical retention is the retention coefficient, Ri= ([Ci]inflow-[Ci] outflow)/[Ci]inflow. However, this parameter varies widely in one pond with time and among ponds. We have re-evaluated literature reported (Borden et al., 1998) monthly average retention coefficients for two ponds in North Carolina. Employing a simple first order model that includes water residence time, the first order process responsible for species removal have been separated from the water residence time over which it acts. Assuming the rate constant for species removal is constant within the pond (arguable at least), the annual average rate constant for species removal is generated. Using the annual mean rate constant for species removal and monthly water residence times results in a significantly enhanced predictive capability for Davis Pond during most months of the year. Predictive ability remains poor in Davis Pond during winter/unstratified periods when internal loading of P and N results in low to negative chemical retention. Predictive ability for Piedmont Pond (which has numerous negative chemical retention periods) is improved but not to the same extent as Davis Pond. In Davis Pond, the rate constant for sediment removal (each month) is faster than the rate constant for water and explains the good predictability for sediment retention. However, the removal rate constant for P and N is slower than the removal rate constant for sediment (longer water column residence time for P,N than for sediment). Thus sedimentation is not an overall control on nutrient retention. Additionally, the removal rate constant for P is slower than for TOC (TOC is not the dominate removal process for P) and N is removed slower than P (different in pond controls). For Piedmont Pond, sediment removal rate constants are slower than the removal rate constant for water indicating significant sediment resuspension episodes. It appears that these sediment resuspension events are aperiodic and control the loading and the chemical retention capability of Piedmont Pond for N,P,TOC. These calculated rate constants reflect the differing internal loading processes for each component and suggest means and mechanisms for the use of ponds in water quality management.

Mining and beneficiation: A review of possible lunar applications

NASA Technical Reports Server (NTRS)

Chamberlain, Peter G.

1991-01-01

Successful exploration of Mars and outer space may require base stations strategically located on the Moon. Such bases must develop a certain self-sufficiency, particularly in the critical life support materials, fuel components, and construction materials. Technology is reviewed for the first steps in lunar resource recovery-mining and beneficiation. The topic is covered in three main categories: site selection; mining; and beneficiation. It will also include (in less detail) in-situ processes. The text described mining technology ranging from simple diggings and hauling vehicles (the strawman) to more specialized technology including underground excavation methods. The section of beneficiation emphasizes dry separation techniques and methods of sorting the ore by particle size. In-situ processes, chemical and thermal, are identified to stimulate further thinking by future researchers.

STUDIES ON LUMINOUS BACTERIA

PubMed Central

Morrison, Thomas F.

1925-01-01

1. A method has been described whereby the intensity of the light of luminous bacteria may be measured in a quantitative manner. 2. It is pointed out that the temperature coefficients for light intensity do not follow the van't Hoff rule, but are higher and vary with each 10° temperature interval. 3. From a comparison with other data it is found that the process is not a simple one, but that the observed curve is the resultant of several reactions which proceed simultaneously. 4. The discrepancies in the temperature coefficients in the neighborhood of the "optimum temperature" may be due to a process of coagulation of the colloidal particles of the enzyme. This coagulation will tend to cause a deviation of the curve away from that normal for chemical reactions. PMID:19872179

An odor flux model for cattle feedlots

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

Ormerod, R.J.

1994-12-31

Odor nuisance associated with cattle feedlots has been an issue of major interest and concern to regulators, rural communities and the beef industry in Australia over the past decade. Methods of assessing the likely impacts of new feedlots on community odor exposure are still being developed, but in the past few years much has been learnt about the processes of odor generation, flux and dispersion as well as the acceptability of feedlot odor to exposed communities. This paper outlines a model which simulates the complex physical and chemical processes leading to odor emissions in a simple and practical framework. Themore » model, named BULSMEL, has been developed as a response to regulatory requirements for quantitative assessments of odor impact. It will continue to be refined as more data are gathered.« less