Atropisomerisation in sterically hindered α,β-disubstituted cyclopentenones derived from an intermolecular cobalt(0)-mediated Pauson-Khand reaction.

PubMed

Moulton, Benjamin E; Lynam, Jason M; Duhme-Klair, Anne-Kathrin; Zheng, Wenxu; Lin, Zhenyang; Fairlamb, Ian J S

2010-12-07

4-(2-Phenylethynyl)-2H-chromen-2-one reacts with norbornene and Co(2)(CO)(8) in an intermolecular Pauson-Khand reaction by focused microwave dielectric heating. Two regioisomeric products are formed; the electron-deficient coumarin moiety preferentially occupies the β-position of the cyclopentenone ring system, whereas the phenyl occupies the α-position. The sterically hindered α,β-(2,3)-disubstituted cyclopentenone regioisomeric products exhibit pronounced atropisomerisation, and the magnitude of the energetic barrier to interconversion between these atropisomers is dependent on the relative position of the coumarin moieties. Interconversion is slow when the coumarin is found in the α-position, whereas interconversion is relatively fast when found in the β-position.

Interconversion algorithm between mechanical and dielectric relaxation measurements for acetate of cis- and trans-2-phenyl-5-hydroxymethyl-1,3-dioxane.

PubMed

Garcia-Bernabé, A; Lidón-Roger, J V; Sanchis, M J; Díaz-Calleja, R; del Castillo, L F

2015-10-01

The dielectric and mechanical spectroscopies of acetate of cis- and trans-2-phenyl-5-hydroxymethyl-1,3-dioxane are reported in the frequency domain from 10(-2) to 10(6)Hz. This ester has been selected in this study for its predominant α relaxation with regard to the β relaxation, which can be neglected. This study consists of determining an interconversion algorithm between dielectric and mechanical measurements, given by using a relation between rotational and translational complex viscosities. These important viscosities were obtained from measures of the dielectric complex permittivity and by dynamic mechanical analysis, respectively. The definitions of rotational and translational viscosities were evaluated by means of fractional calculus, by using the fit parameters of the Havriliak-Negami empirical model obtained in the dielectric and mechanical characterization of the α relaxation. This interconversion algorithm is a generalization of the break of the Stokes-Einstein-Debye relationship. It uses a power law with an exponent defined as the shape factor, which modifies the translational viscosity. Two others factors are introduced for the interconversion, a shift factor, which displaces the translational viscosity in the frequency domain, and a scale factor, which makes equal values of the two viscosities. In this paper, the shape factor has been identified as the relation between the slopes of the moduli of the complex viscosities at higher frequency. This is interpreted as the degree of kinetic coupling between the molecular rotation and translational movements. Alternatively, another interconversion algorithm has been expressed by means of dielectric and mechanical moduli.

Chemotherapy in heterogeneous cultures of cancer cells with interconversion

NASA Astrophysics Data System (ADS)

Dilão, Rui

2015-02-01

Recently, the interconversion between differentiated and stem-like cancer cells has been observed. Here, we model the in vitro growth of heterogeneous cell cultures in the presence of interconversion from differentiated cancer cells to cancer stem cells (CSCs), showing that, by targeting only CSC with cytotoxic agents, it is not always possible to eradicate cancer. We have determined the kinetic conditions under which cytotoxic agents in in vitro heterogeneous cultures of cancer cells eradicate cancer. In particular, we have shown that the chemotherapeutic elimination of in vitro cultures of heterogeneous cancer cells is effective only if it targets all cancer cell types, and if the induced death rates for the different subpopulations of cancer cell types are large enough. The quantitative results of the model are compared and validated with experimental data.

A hydrogen fuel cell for rapid, enzyme-catalysed organic synthesis with continuous monitoring.

PubMed

Wan, Lei; Megarity, Clare F; Siritanaratkul, Bhavin; Armstrong, Fraser A

2018-01-23

A one-pot fuel cell for specific, enzyme-catalysed organic synthesis, with continuous monitoring of rate and reaction progress, combines an electrode catalysing rapid, reversible and diffusion-controlled interconversion of NADP + and NADPH with a Pt electrode catalysing 2H + /H 2 interconversion. This Communication demonstrates its performance and characteristics using the reductive amination of 2-oxoglutarate as a test system.

Interconversion of mechanical and dielectrical relaxation measurements for dicyclohexylmethyl-2-methyl succinate.

PubMed

Díaz-Calleja, R; Garcia-Bernabé, A; Sanchis, M J; del Castillo, L F

2005-11-01

A comparison between results of dielectrical relaxation and dynamic mechanical spectroscopies is carried out for the alpha-relaxation of the ester dicyclohexyl methyl-2-methyl succinate (DCMMS). The results for the dielectric permittivity and the shear modulus measurements are presented according to the empirical Havriliak-Negami (HN) equation. By using the time-temperature principle a master curve in each case was obtained for several temperatures. The comparative analysis presented here is based on the assumption of a relationship between rotational and shear viscosities. The former one is associated to the dielectrical relaxation, whereas the latter is associated to mechanical relaxation. Both viscosities are not necessarily equal in general, and we assume that the difference between them is an important factor to appropriately compare the dielectrical and mechanical results.

A closer look at opposing models for the T cell response to pathogens

NASA Astrophysics Data System (ADS)

Hanson, Shalla

2016-06-01

The problem of understanding the mechanisms of differentiation, activation, and interconversion of phenotypes of CD8+ T cells is one of crucial importance in cancer therapy, owing to both the anti-tumor efficacy of CD8+ T cells as well as the severe toxicity that results from excess expansion of this population. Several opposing theories exist which describe potential pathways for the development of the CD8+ T cell repertoire; however, the accuracy of each remains controversial. Here we review the current hypotheses, provide a critical overview of pivotal biological data from which these theories are derived, and discuss principle population-level implications. Finally, we offer a novel hypothesis which maintains consistency with each of the experimental studies and seeks to unify the currently opposing but not so disparate theories.

The importance of trace element speciation in biomedical science.

PubMed

Templeton, Douglas M

2003-04-01

According to IUPAC terminology, trace element speciation reflects differences in chemical composition at multiple levels from nuclear and electronic structure to macromolecular complexation. In the medical sciences, all levels of composition are important in various circumstances, and each can affect the bioavailability, distribution, physiological function, toxicity, diagnostic utility, and therapeutic potential of an element. Here we discuss, with specific examples, three biological principles in the intimate relation between speciation and biological behavior: i) the kinetics of interconversion of species determines distribution within the organism, ii) speciation governs transport across various biological barriers, and iii) speciation can limit potentially undesirable interactions between physiologically essential elements. We will also describe differences in the speciation of iron in states of iron overload, to illustrate how speciation analysis can provide insight into cellular processes in human disease.

Magnon-phonon interconversion in a dynamically reconfigurable magnetic material

NASA Astrophysics Data System (ADS)

Guerreiro, Sergio C.; Rezende, Sergio M.

2015-12-01

The ferrimagnetic insulator yttrium iron garnet (YIG) is an important material in the field of magnon spintronics, mainly because of its low magnetic losses. YIG also has very low acoustic losses, and for this reason the conversion of a state of magnetic excitation (magnons) into a state of lattice vibration (phonons), or vice versa, broadens its possible applications in spintronics. Since the magnetic parameters can be varied by some external action, the magnon-phonon interconversion can be tuned to perform a desired function. We present a quantum theory of the interaction between magnons and phonons in a ferromagnetic material subject to a dynamic variation of the applied magnetic field. It is shown that when the field gradient at the magnetoelastic crossover region is much smaller than a critical value, an initial elastic excitation can be completely converted into a magnetic excitation, or vice versa. This occurs with conservation of linear momentum and spin angular momentum, implying that phonons created by the conversion of magnons have spin angular momentum and carry spin current. It is shown further that if the system is initially in a quantum coherent state, its coherence properties are maintained regardless of the time dependence of the field.

Inter-conversion of Chromium Species During Air Sampling: Effects of O3, NO2, SO2, Particle Matrices, Temperature and Humidity

PubMed Central

Huang, Lihui; Fan, Zhihua (Tina); Yu, Chang Ho; Hopke, Philip K.; Lioy, Paul J.; Buckley, Brian T.; Lin, Lin; Ma, Yingjun

2013-01-01

The inter-conversion between Cr(VI), a pulmonary carcinogen, and Cr(III), an essential human nutrient, poses challenges to the measurement of Cr(VI) in airborne particles. Chamber and field tests were conducted to identify the factors affecting Cr(VI)-Cr(III) inter-conversion in the basic filter medium under typical sampling conditions. In the chamber tests, isotopically enriched 53Cr(VI) and 50Cr(III) were spiked on diesel particulate matter (DPM) and secondary organic aerosol (SOA) that were pre-collected on a basic MCE filter. The filter samples were then exposed to clean air or the air containing SO2 (50 and 160 ppb), 100 ppb O3, or 150 ppb NO2 for 24 hours at 16.7 LPM flow rate at designated temperature (20 and 31°C) and RH (40% and 70%) conditions. Exposure to 160 ppb SO2 had the greatest effect on 53Cr(VI) reduction, with 53Cr(VI) recovery of 31.7 ± 15.8% (DPM) and 42.0 ± 7.9% (SOA). DPM and SOA matrix induced 53Cr(VI) reduction when exposed to clean air while reactive oxygen species in SOA could promote 50Cr(III) oxidation. Deliquescence when RH increased from 40% to 70% led to conversion of Cr(III) in SOA, whereas oxidized organics in DPM and SOA enhanced hygroscopicity and thus facilitated Cr(VI) reduction. Field tests showed seasonal variation of Cr(VI)-Cr(III) inter-conversion during sampling. Correction of the inter-conversion using USEPA method 6800 is recommended to improve accuracy of ambient Cr(VI) measurements. PMID:23550818

Light-Controlled Interconversion between a Self-Assembled Triangle and a Rhombicuboctahedral Sphere.

PubMed

Han, Muxin; Luo, Yuansu; Damaschke, Bernd; Gómez, Laura; Ribas, Xavi; Jose, Anex; Peretzki, Patrick; Seibt, Michael; Clever, Guido H

2016-01-04

Stimuli-responsive structural reorganizations play an important role in biological processes, often in combination with kinetic control scenarios. In supramolecular mimics of such systems, light has been established as the perfect external trigger. Here, we report on the light-driven structural rearrangement of a small, self-assembled Pd3L6 ring based on photochromic dithienylethene (DTE) ligands into a rhombicuboctahedral Pd24L48 sphere measuring about 6.4 nm across. When the wavelength is changed, this interconversion can be fully reversed, as confirmed by NMR and UV/Vis spectroscopy as well as mass spectrometry. The sphere was visualized by AFM, TEM, and GISAXS measurements. Due to dissimilarities in the photoswitch conformations, the interconversion rates between the two assemblies are drastically different in the two directions. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Profile of students' comprehension of 3D molecule representation and its interconversion on chirality

NASA Astrophysics Data System (ADS)

Setyarini, M.; Liliasari, Kadarohman, Asep; Martoprawiro, Muhamad A.

2016-02-01

This study aims at describing (1) students' level comprehension; (2) factors causing difficulties to 3D comprehend molecule representation and its interconversion on chirality. Data was collected using multiple-choice test consisting of eight questions. The participants were required to give answers along with their reasoning. The test was developed based on the indicators of concept comprehension. The study was conducted to 161 college students enrolled in stereochemistry topic in the odd semester (2014/2015) from two LPTK (teacher training institutes) in Bandar Lampung and Gorontalo, and one public university in Bandung. The result indicates that college students' level of comprehension towards 3D molecule representations and its inter-conversion was 5% on high level, 22 % on the moderate level, and 73 % on the low level. The dominant factors identified as the cause of difficulties to comprehend 3D molecule representation and its interconversion were (i) the lack of spatial awareness, (ii) violation of absolute configuration determination rules, (iii) imprecise placement of observers, (iv) the lack of rotation operation, and (v) the lack of understanding of correlation between the representations. This study recommends that learning show more rigorous spatial awareness training tasks accompanied using dynamic visualization media of molecules associated. Also students learned using static molecular models can help them overcome their difficulties encountered.

Structural Dynamics in Metal Tris-hydroxyquinolines: Interconversion of Meridianal and Facial Alq3 Isomers

NASA Astrophysics Data System (ADS)

Ferris, Kim; Sapochak, Linda; Burrows, Paul; Rodovsky, Deanna; Marmolejo, Theresa

2004-03-01

While previous work investigating the charge transport properties of Alq3 has indicated that the meridianal (mer) conformation of Alq3 is predominant species, recent work suggesting identification of a facial (fac) form raises again the question of heterogeneity. Electronic structure computations from our group have noted that the energy difference(in parenthesis) between the mer and fac conformations is highly sensitive to basis set description (8.6 kcal/mol//3-21g*/SCF; 6.9 kcal/mol//6-31g*/SCF), electron correlation (6.0 kcal/mol//3-21g*/MP2; 4.7 kcal/mol//6-31g*/MP2), and solvent effects (4.4 kcal/mol/3-21g*/SCF/DMSO). Given these small energy differences, we have conducted a series of Hartree-Fock and first principles electronic structure computations on the interconversion of these structural forms, and will report on the structural and energetic aspects of the transformation. The likely reaction path involves lengthening of the Al-N bond to the point where a pentacoordinate intermediate or transition state would be formed, followed by flipping of the ligand through rotation around the Al-O bond. Following Schmidbauer's earlier work, we note that transformation involving only one ligand will actually lead to a facial isomer. Preliminary characterization of this transition state suggests that the activation energy is approximately 20-25 kcal/mol above the mer conformation. The authors gratefully acknowledge financial support from PNNL Laboratory Directed Research and Development Project and the U.S. Department of Energy, Office of Science, Materials Sciences Division.

Bioelectrocatalytic NAD+/NADH inter-conversion: transformation of an enzymatic fuel cell into an enzymatic redox flow battery.

PubMed

Quah, Timothy; Milton, Ross D; Abdellaoui, Sofiene; Minteer, Shelley D

2017-07-25

Diaphorase and a benzylpropylviologen redox polymer were combined to create a bioelectrode that can both oxidize NADH and reduce NAD + . We demonstrate how bioelectrocatalytic NAD + /NADH inter-conversion can transform a glucose/O 2 enzymatic fuel cell (EFC) with an open circuit potential (OCP) of 1.1 V into an enzymatic redox flow battery (ERFB), which can be rapidly recharged by operation as an EFC.

Conformational interconversions in peptide beta-turns: analysis of turns in proteins and computational estimates of barriers.

PubMed

Gunasekaran, K; Gomathi, L; Ramakrishnan, C; Chandrasekhar, J; Balaram, P

1998-12-18

The two most important beta-turn features in peptides and proteins are the type I and type II turns, which differ mainly in the orientation of the central peptide unit. Facile conformational interconversion is possible, in principle, by a flip of the central peptide unit. Homologous crystal structures afford an opportunity to structurally characterize both possible conformational states, thus allowing identification of sites that are potentially stereochemically mobile. A representative data set of 250 high-resolution (

Simultaneous determination of creatinine and creatine in human serum by double-spike isotope dilution liquid chromatography-tandem mass spectrometry (LC-MS/MS) and gas chromatography-mass spectrometry (GC-MS).

PubMed

Fernández-Fernández, Mario; Rodríguez-González, Pablo; Añón Álvarez, M Elena; Rodríguez, Felix; Menéndez, Francisco V Álvarez; García Alonso, J Ignacio

2015-04-07

This work describes the first multiple spiking isotope dilution procedure for organic compounds using (13)C labeling. A double-spiking isotope dilution method capable of correcting and quantifying the creatine-creatinine interconversion occurring during the analytical determination of both compounds in human serum is presented. The determination of serum creatinine may be affected by the interconversion between creatine and creatinine during sample preparation or by inefficient chemical separation of those compounds by solid phase extraction (SPE). The methodology is based on the use differently labeled (13)C analogues ((13)C1-creatinine and (13)C2-creatine), the measurement of the isotopic distribution of creatine and creatinine by liquid chromatography-tandem mass spectrometry (LC-MS/MS) and the application of multiple linear regression. Five different lyophilized serum-based controls and two certified human serum reference materials (ERM-DA252a and ERM-DA253a) were analyzed to evaluate the accuracy and precision of the proposed double-spike LC-MS/MS method. The methodology was applied to study the creatine-creatinine interconversion during LC-MS/MS and gas chromatography-mass spectrometry (GC-MS) analyses and the separation efficiency of the SPE step required in the traditional gas chromatography-isotope dilution mass spectrometry (GC-IDMS) reference methods employed for the determination of serum creatinine. The analysis of real serum samples by GC-MS showed that creatine-creatinine separation by SPE can be a nonquantitative step that may induce creatinine overestimations up to 28% in samples containing high amounts of creatine. Also, a detectable conversion of creatine into creatinine was observed during sample preparation for LC-MS/MS. The developed double-spike LC-MS/MS improves the current state of the art for the determination of creatinine in human serum by isotope dilution mass spectrometry (IDMS), because corrections are made for all the possible errors derived from the sample preparation step.

Content of trace elements and chromium speciation in Neem powder and tea infusions.

PubMed

Novotnik, Breda; Zuliani, Tea; Ščančar, Janez; Milačič, Radmila

2015-01-01

Total concentrations of selected trace elements in Neem powder and in Neem tea were determined by inductively coupled plasma mass spectrometry (ICP-MS). The data revealed that despite high total concentrations of the potentially toxic elements Al and Ni in Neem powder, their amounts dissolved in Neem tea were low. Total concentrations of the other toxic elements Pb, As and Cd were also very low and do not represent a health hazard. In contrast, total concentrations of the essential elements Fe, Cu, Zn, Se Mo and Cr in Neem powder were high and also considerable in Neem tea. Consuming one cup of Neem tea (2g per 200 mL of water) covers the recommended daily intakes for Cr and Se and represents an important source of Mo and Cu. Speciation analysis of Cr by high performance liquid chromatography (HPLC) coupled to ICP-MS with the use of enriched Cr isotopic tracers to follow species interconversions during the analytical procedure demonstrated that toxic Cr(VI) was not present either in Neem powder or in Neem tea. Its concentrations were below the limits of detection of the HPLC-ICP-MS procedure applied. The speciation analysis data confirmed that even Cr(VI) was added, it was rapidly reduced by the presence of antioxidants in Neem leaves. By the use of enriched Cr isotopic spike solutions it was also demonstrated that for obtaining reliable analytical data it is essential to apply the extraction procedures which prevent Cr species interconversions, or to correct for species transformation. Copyright © 2015 Elsevier GmbH. All rights reserved.

Exploring Neural Network Models with Hierarchical Memories and Their Use in Modeling Biological Systems

NASA Astrophysics Data System (ADS)

Pusuluri, Sai Teja

Energy landscapes are often used as metaphors for phenomena in biology, social sciences and finance. Different methods have been implemented in the past for the construction of energy landscapes. Neural network models based on spin glass physics provide an excellent mathematical framework for the construction of energy landscapes. This framework uses a minimal number of parameters and constructs the landscape using data from the actual phenomena. In the past neural network models were used to mimic the storage and retrieval process of memories (patterns) in the brain. With advances in the field now, these models are being used in machine learning, deep learning and modeling of complex phenomena. Most of the past literature focuses on increasing the storage capacity and stability of stored patterns in the network but does not study these models from a modeling perspective or an energy landscape perspective. This dissertation focuses on neural network models both from a modeling perspective and from an energy landscape perspective. I firstly show how the cellular interconversion phenomenon can be modeled as a transition between attractor states on an epigenetic landscape constructed using neural network models. The model allows the identification of a reaction coordinate of cellular interconversion by analyzing experimental and simulation time course data. Monte Carlo simulations of the model show that the initial phase of cellular interconversion is a Poisson process and the later phase of cellular interconversion is a deterministic process. Secondly, I explore the static features of landscapes generated using neural network models, such as sizes of basins of attraction and densities of metastable states. The simulation results show that the static landscape features are strongly dependent on the correlation strength and correlation structure between patterns. Using different hierarchical structures of the correlation between patterns affects the landscape features. These results show how the static landscape features can be controlled by adjusting the correlations between patterns. Finally, I explore the dynamical features of landscapes generated using neural network models such as the stability of minima and the transition rates between minima. The results from this project show that the stability depends on the correlations between patterns. It is also found that the transition rates between minima strongly depend on the type of bias applied and the correlation between patterns. The results from this part of the dissertation can be useful in engineering an energy landscape without even having the complete information about the associated minima of the landscape.

Methods for studying reaction kinetics in gas chromatography, exemplified by using the 1-chloro-2,2-dimethylaziridine interconversion reaction.

PubMed

Krupcík, J; Mydlová, J; Májek, P; Simon, P; Armstrong, D W

2008-04-04

In this paper, methods are described that are used for studying first-order reaction kinetics by gas chromatography. Basic theory is summarized and illustrated using the interconversion of 1-chloro-2,2-dimethylaziridine enantiomers as a representative example. For the determination of the kinetic and thermodynamic activation data of interconversion the following methods are reviewed: (i) classical kinetic methods where samples of batch-wise kinetic studies are analyzed by enantioselective gas chromatography, (ii) stopped-flow methods performed on one chiral column, (iii) stopped-flow methods performed on an achiral column or empty capillary coupled in series with two chiral columns, (iv) on-flow method performed on an achiral column coupled in series with two chiral columns, and (v) reaction gas chromatography, known as a dynamic gas chromatography, where the interconversion is performed on chiral column during the separation process. The determination of kinetic and thermodynamic activation data by methods (i) through (iv) is straightforward as the experimental data needed for the evaluation (particularly the concentration of reaction constituents) are accessible from the chromatograms. The evaluation of experiments from reaction chromatography method (v) is complex as the concentration bands of reaction constituents are overlapped. The following procedures have been developed to determination peak areas of reaction constituents in such complex chromatograms: (i) methods based on computer-assisted simulations of chromatograms where the kinetic activation parameters for the interconversion of enantiomers are obtained by iterative comparison of experimental and simulated chromatograms, (ii) stochastic methods based on the simulation of Gaussian distribution functions and using a time-dependent probability density function, (iii) approximation function and unified equation, (iv) computer-assisted peak deconvolution methods. Evaluation of the experimental data permits the calculation of apparent rate constants for both the interconversion of the first eluted (k (A-->B)(app)) as well as the second eluted (k(B-->A)(app)) enantiomer. The mean value for all the rate constants (from all the reviewed methods) was found for 1-chloro-2,2-dimethylaziridine A-->B enantiomer interconversion at 100 degrees C: k (A-->B)(app)=21.2 x 10(-4)s(-1) with a standard deviation sigma=10.7 x 10(-4). Evaluating data for reaction chromatography at 100 degrees C {k (app)=k(A-->B)(app)=k(B-->A)(app)=13.9 x 10(-4)s(-1), sigma=3.0 x 10(-4)s(-1)} shows that differences between k(A-->B)(app) and k(B-->A)(app) are the same within experimental error. It was shown both theoretically and experimentally that the Arrhenius activation energy (E(a)) calculated from Arrhenius plots (lnk(app) versus 1/T) is proportional to the enthalpy of activation {E(a)=DeltaH+RT}. Statistical treatment of Gibbs activation energy values gave: DeltaG (app)=110.5kJmol(-1), sigma=2.4kJmol(-1), DeltaG (A-->B)(app)=110.5kJmol(-1), sigma=2.2kJmol(-1), DeltaG (B-->A)(app)=110.3kJmol(-1), sigma=2.8kJmol(-1). This shows that the apparent Gibbs energy barriers for the interconversion of 1-chloro-2,2-dimethylaziridine enantiomers are equal DeltaG (app)=DeltaG(A-->B)(app)=DeltaG(B-->A)(app) and within the given precision of measurement independent of the experimental method used.

Notepad-like triboelectric generator for efficiently harvesting low-velocity motion energy by interconversion between kinetic energy and elastic potential energy.

PubMed

Liu, Guanlin; Leng, Qiang; Lian, Jiawei; Guo, Hengyu; Yi, Xi; Hu, Chenguo

2015-01-21

Great attention has been paid to nanogenerators that harvest energy from ambient environments lately. In order to give considerable output current, most nanogenerators require high-velocity motion that in most cases can hardly be provided in our daily life. Here we report a notepad-like triboelectric generator (NTEG), which uses simple notepad-like structure to generate elastic deformation so as to turn a low-velocity kinetic energy into high-velocity kinetic energy through the conversion of elastic potential energy. Therefore, the NTEG can achieve high current output under low-velocity motion, which completely distinguishes it from tribogenerators previously reported. The factors that may affect the output performance are explored, including the number of slices, active length of slice, press speed, and vertical displacement. In addition, the working mechanism is systematically studied, indicating that the efficiency of the generator can be greatly enhanced by interconversion between kinetic energy and elastic potential energy. The short-circuit current, the open-circuit voltage, and power density are 205 μA and 470 V and 9.86 W/m(2), respectively, which is powerful enough to light up hundreds of light-emitting diodes (LEDs) and charge a commercial capacitor. Besides, NTEGs have been successfully applied to a self-powered door monitor.

Separation and conversion dynamics of nuclear-spin isomers of gaseous methanol

PubMed Central

Sun, Zhen-Dong; Ge, Meihua; Zheng, Yujun

2015-01-01

All symmetrical molecules with non-zero nuclear spin exist in nature as nuclear-spin isomers (NSIs). However, owing to the lack of experimental information, knowledge is rare about interconversions of NSIs of gaseous molecules with torsional symmetry. Here we report our separation and conversion observations on NSI-torsion-specific transition systems of gaseous methanol from a light-induced drift experiment involving partially spatial separation of the ortho and para isomers. We find that vibrationally excited molecules of the methanol spin isomer have a smaller collision cross-section than their ground-state counterparts. Interconversion of the enriched ortho isomer with the para isomer, which is generally considered improbable, has been quantitatively studied by sensitive detections of the spectral intensities. Rather counterintuitively, this reveals that the interconversion is inhibited with increasing pressure. Our results suggest that the spin conversion mechanism in methanol is via a quantum relaxation process with the quantum Zeno effect induced by molecular collisions. PMID:25880882

Template-Framework Interactions in Tetraethylammonium-Directed Zeolite Synthesis

DOE PAGES

Schmidt, Joel E.; Fu, Donglong; Deem, Michael W.; ...

2016-11-22

Zeolites, having widespread applications in chemical industries, are often synthesized using organic templates. These can be cost-prohibitive, motivating investigations into their role in promoting crystallization. Herein, the relationship between framework structure, chemical composition, synthesis conditions and the conformation of the occluded, economical template tetraethylammonium (TEA +) has been systematically examined by experimental and computational means. The results show two distinct regimes of occluded conformer tendencies: 1) In frameworks with a large stabilization energy difference, only a single conformer was found (BEA, LTA and MFI). 2) In the frameworks with small stabilization energy differences (AEI, AFI, CHA and MOR), less thanmore » the interconversion of TEA + in solution, a heteroatom-dependent (Al, B, Co, Mn, Ti, Zn) distribution of conformers was observed. Our findings demonstrate that host–guest chemistry principles, including electrostatic interactions and coordination chemistry, are as important as ideal pore-filling.« less

Controlled Folding, Motional, and Constitutional Dynamic Processes of Polyheterocyclic Molecular Strands.

PubMed

Barboiu, Mihail; Stadler, Adrian-Mihail; Lehn, Jean-Marie

2016-03-18

General design principles have been developed for the control of the structural features of polyheterocyclic strands and their effector-modulated shape changes. Induced defined molecular motions permit designed enforcement of helical as well as linear molecular shapes. The ability of such molecular strands to bind metal cations allows the generation of coiling/uncoiling processes between helically folded and extended linear states. Large molecular motions are produced on coordination of metal ions, which may be made reversible by competition with an ancillary complexing agent and fueled by sequential acid/base neutralization energy. The introduction of hydrazone units into the strands confers upon them constitutional dynamics, whereby interconversion between different strand compositions is achieved through component exchange. These features have relevance for nanomechanical devices. We present a morphological and functional analysis of such systems developed in our laboratories. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

NMR spectroscopic conformational analysis of 4-methylene-cyclohexyl pivalate-The effect of sp2 hybridization.

PubMed

Kleinpeter, Erich; Heydenreich, Matthias; Koch, Andreas; Krtitschka, Angela; Krüger, Tobias; Linker, Torsten

2017-12-01

The conformational equilibrium of the axial/equatorial conformers of 4-methylene-cyclohexyl pivalate is studied by dynamic NMR spectroscopy in a methylene chloride/freon mixture. At 153 K, the ring interconversion gets slow on the nuclear magnetic resonance timescale, the conformational equilibrium (-ΔG°) can be examined, and the barrier to ring interconversion (ΔG # ) can be determined. The structural influence of sp 2 hybridization on both ΔG° and ΔG # of the cyclohexyl moiety can be quantified. Copyright © 2017 John Wiley & Sons, Ltd.

Modeling of chemical reactions in micelle: water-mediated keto-enol interconversion as a case study.

PubMed

Marracino, Paolo; Amadei, Andrea; Apollonio, Francesca; d'Inzeo, Guglielmo; Liberti, Micaela; di Crescenzo, Antonello; Fontana, Antonella; Zappacosta, Romina; Aschi, Massimiliano

2011-06-30

The effect of a zwitterionic micelle environment on the efficiency of the keto-enol interconversion of 2-phenylacetylthiophene has been investigated by means of a joint application of experimental and theoretical/computational approaches. Results have revealed a reduction of the reaction rate constant if compared with bulk water essentially because of the different solvation conditions experienced by the reactant species, including water molecules, in the micelle environment. The slight inhibiting effect due to the application of a static electric field has also been theoretically investigated and presented.

Aryliminopropadienone-C-Amidoketenimine- Amidinoketene-2-Aminoquinolone Cascades and the Ynamine-Isocyanate Reaction.

PubMed

Wentrup, Curt; Rao, V. V. Ramana; Frank, Wilhelm; Fulloon, Belinda E.; Moloney, Daniel W. J.; Mosandl, Thomas

1999-05-14

Imidoylketenes 11 and oxoketenimines 12 are generated by flash vacuum thermolysis of Meldrum's acid derivatives 9, pyrrolediones 17 and 18, and triazole 19 and are observed by IR spectroscopy. Ketenimine-3-carboxylic acid esters 12a are isolable at room temperature. Ketenes 11 and ketenimines 12 undergo rapid interconversion in the gas phase, and the ketenes cyclize to 4-quinolones 13. When using an amine leaving group in Meldrum's acid derivatives 9c, the major reaction products are aryliminopropadienones, ArN=C=C=C=O (15). The latter react with 1 equiv of nucleophile to produce ketenimines 12 and with 2 equiv to afford malonic acid imide derivatives 16. N-Arylketenimine-C-carboxamides 12c cyclize to quinolones 13c via the transient amidinoketenes 11c at temperatures of 25-40 degrees C. This implies rapid interconversion of ketenes and ketenimines by a 1,3-shift of the dimethylamino group, even at room temperature. This interconversion explains previously poorly understood outcomes of the ynamine-isocyanate reaction. The solvent dependence of the tautomerism of 4-quinolones/4-quinolinols is discussed. Rotational barriers of NMe(2) groups in amidoketenimines 12c and malonioc amides and amidines 16 (24) are reported.

Carbon Dioxide-Controlled Assembly of Water-Soluble Conjugated Polymers Catalyzed by Carbonic Anhydrase.

PubMed

Yuan, Hongbo; Xing, Chengfen; Fan, Yibing; Chai, Ran; Niu, Ruimin; Zhan, Yong; Peng, Fei; Qi, Junjie

2017-03-01

The CO 2 -responsive and biocatalytic assembly based on conjugated polymers has been demonstrated by combining the signal amplification property of the polythiophene derivative (PTP) and the catalytic actions of carbonic anhydrase (CA). CO 2 is applied as a new trigger mode to construct the smart assembly by controlling the electrostatic and hydrophobic interactions between the PTP molecules in aqueous solution, leading to the visible fluorescence changes. Importantly, the assembly transformation of PTP can be specifically and highly accelerated by CA based on the efficient catalytic activity of CA for the inter-conversion between CO 2 and HCO 3 - , mimicking the CO 2 -associated biological processes that occurred naturally in living organisms. Moreover, the PTP-based assembly can be applied for biomimetic CO 2 sequestration with fluorescence monitoring in the presence of CA and calcium. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

An investigation of isomerization pathways of epoxysaccharides

NASA Astrophysics Data System (ADS)

Andrianov, V. M.; Kirillova, S. G.; Zhbankov, R. G.

1997-07-01

Direct and reverse interconversion pathways of six epoxysaccharide molecules, namely, three molecules with epoxypyranose rings: methyl 2,3-anhydro-2,3,4-trideoxy- β- D-lyxohexopyranoside, methyl 2,3-anhydro-4-deoxy- α- D, L-ribo- and - α- D, L-lyxohexopyranosides and three molecules with epoxypyranose rings: methyl 2,6-di- O-acetyl-3,4-anhydro- α- D, L-( 6,6- 2H2) derivatives of talopyranoside and galactopyranoside, and methyl 3,4-anhydro- α- D, L-allopyranoside were simulated by the Wiberg and Boyd method. This made it possible to determine all stationary and intermediate forms in which anhydropyranose rings can exist. Calculations of barrier heights for interconversion and energies of global minima have shown that conformations revealed in X-ray studies are more favorable. Most of the local minima found lie in the vicinity of the boat (B) forms, the other minima correspond to conformations possessing symmetry elements of the skew-boat (S) and twist (T) forms. The interconversion pathways of the molecules investigated are presented on the Cremer-Pople diagram. We studied the effect of various structural factors on the character of conformational transformations, heights of transition barriers, the form of the ground state, and the energy of stationary forms, and their number and location on the Cremer-Pople diagram.

Isothiocyanate metabolism, distribution, and interconversion in mice following consumption of thermally processed broccoli sprouts or purified sulforaphane

PubMed Central

Bricker, Gregory V.; Riedl, Kenneth M.; Ralston, Robin A.; Tober, Kathleen L.; Oberyszyn, Tatiana M.; Schwartz, Steven J.

2014-01-01

Scope Broccoli sprouts are a rich source of glucosinolates, a group of phytochemicals that when hydrolyzed, are associated with cancer prevention. Our objectives were to investigate the metabolism, distribution, and interconversion of isothiocyanates (ITCs) in mice fed thermally processed broccoli sprout powders (BSPs) or the purified ITC sulforaphane. Methods and results For 1 wk, mice were fed a control diet (n = 20) or one of four treatment diets (n = 10 each) containing nonheated BSP, 60°C mildly heated BSP, 5-min steamed BSP, or 3 mmol purified sulforaphane. Sulforaphane and erucin metabolite concentrations in skin, liver, kidney, bladder, lung, and plasma were quantified using HPLC-MS/MS. Thermal intensity of BSP processing had disparate effects on ITC metabolite concentrations upon consumption. Mild heating generally resulted in the greatest ITC metabolite concentrations in vivo, followed by the nonheated and steamed BSP diets. We observed interconversion between sulforaphane and erucin species or metabolites, and report that erucin is the favored form in liver, kidney, and bladder, even when only sulforaphane is consumed. Conclusion ITC metabolites were distributed to all tissues analyzed, suggesting the potential for systemic benefits. We report for the first time tissue-dependent ratio of sulforaphane and erucin, though further investigation is warranted to assess biological activity of individual forms. PMID:24975513

Racemization of (S)-profen thioesters by strong neutral bases in nonpolar organic solvents: implication for ion-pair kinetic basicity.

PubMed

Chen, Chia-Yin; Chang, Yu-Shang; Lin, Shun-An; Wen, Hui-I; Cheng, Yu-Chi; Tsai, Shau-Wei

2002-05-17

The racemization of (S)-profen 2,2,2-trifluoroethyl thioesters in isooctane with trioctylamine as base was carried out, in which the Hammett equation log(k(int)) = 3.584sigma - 3.745 was successfully applied to describe the electron-withdrawing effect of the substituents to the alpha-phenyl moiety of the thioesters. A combination of neutral strong organic bases with different nonpolar solvents was employed to determine the second-order interconversion constants for the racemization of (S)-naproxen 2,2,2-trifluoroethyl thioester, in which solvent hydrophobicity was found to have less effect on the racemization. Implication for ion-pair kinetic basicity scale for the neutral strong bases in isooctane was further discussed.

Facile NOx interconversion over preoxidized Ag(111)

NASA Astrophysics Data System (ADS)

Klacar, S.; Martin, N. M.; Gustafson, J.; Blomberg, S.; Liu, Z.; Axnanda, S.; Chang, R.; Lundgren, E.; Grönbeck, H.

2013-11-01

X-ray photoelectron spectroscopy and density functional theory calculations are used to investigate NO adsorption at low (100 K) and room temperature (RT) over preoxidized Ag(111). At 100 K, the data indicates presence of NO and N2O2, with little or no nitrite/nitrate formation. This is consistent with the calculated surface core level shifts and the pronounced barrier for nitrite formation. At RT, the recorded spectra indicate a complex interconversion between adsorbed species with an initial formation of a p(4 × 4) nitrate overlayer. With increasing NO pressure, the experimental results are best rationalized by partial nitrate decomposition into nitrites and subsequent NO physisorption, which leads to the formation of N2O3-like species.

Sorption and transport of iodine species in sediments from the Savannah River and Hanford Sites.

PubMed

Hu, Qinhong; Zhao, Pihong; Moran, Jean E; Seaman, John C

2005-07-01

Iodine is an important element in studies of environmental protection and human health, global-scale hydrologic processes and nuclear nonproliferation. Biogeochemical cycling of iodine is complex, because iodine occurs in multiple oxidation states and as inorganic and organic species that may be hydrophilic, atmophilic, and biophilic. In this study, we applied new analytical techniques to study the sorption and transport behavior of iodine species (iodide, iodate, and 4-iodoaniline) in sediments collected at the Savannah River and Hanford Sites, where anthropogenic (129)I from prior nuclear fuel processing activities poses an environmental risk. We conducted integrated column and batch experiments to investigate the interconversion, sorption and transport of iodine species, and the sediments we examined exhibit a wide range in organic matter, clay mineralogy, soil pH, and texture. The results of our experiments illustrate complex behavior with various processes occurring, including iodate reduction, irreversible retention or mass loss of iodide, and rate-limited and nonlinear sorption. There was an appreciable iodate reduction to iodide, presumably mediated by the structural Fe(II) in some clay minerals; therefore, careful attention must be given to potential interconversion among species when interpreting the biogeochemical behavior of iodine in the environment. The different iodine species exhibited dramatically different sorption and transport behavior in three sediment samples, possessing different physico-chemical properties, collected from different depths at the Savannah River Site. Our study yielded additional insight into processes and mechanisms affecting the geochemical cycling of iodine in the environment, and provided quantitative estimates of key parameters (e.g., extent and rate of sorption) for risk assessment at these sites.

Isothiocyanate metabolism, distribution, and interconversion in mice following consumption of thermally processed broccoli sprouts or purified sulforaphane.

PubMed

Bricker, Gregory V; Riedl, Kenneth M; Ralston, Robin A; Tober, Kathleen L; Oberyszyn, Tatiana M; Schwartz, Steven J

2014-10-01

Broccoli sprouts are a rich source of glucosinolates, a group of phytochemicals that when hydrolyzed, are associated with cancer prevention. Our objectives were to investigate the metabolism, distribution, and interconversion of isothiocyanates (ITCs) in mice fed thermally processed broccoli sprout powders (BSPs) or the purified ITC sulforaphane. For 1 wk, mice were fed a control diet (n = 20) or one of four treatment diets (n = 10 each) containing nonheated BSP, 60°C mildly heated BSP, 5-min steamed BSP, or 3 mmol purified sulforaphane. Sulforaphane and erucin metabolite concentrations in skin, liver, kidney, bladder, lung, and plasma were quantified using HPLC-MS/MS. Thermal intensity of BSP processing had disparate effects on ITC metabolite concentrations upon consumption. Mild heating generally resulted in the greatest ITC metabolite concentrations in vivo, followed by the nonheated and steamed BSP diets. We observed interconversion between sulforaphane and erucin species or metabolites, and report that erucin is the favored form in liver, kidney, and bladder, even when only sulforaphane is consumed. ITC metabolites were distributed to all tissues analyzed, suggesting the potential for systemic benefits. We report for the first time tissue-dependent ratio of sulforaphane and erucin, though further investigation is warranted to assess biological activity of individual forms. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Highly efficient and tunable spin-to-charge conversion through Rashba coupling at oxide interfaces

NASA Astrophysics Data System (ADS)

Lesne, E.; Fu, Yu; Oyarzun, S.; Rojas-Sánchez, J. C.; Vaz, D. C.; Naganuma, H.; Sicoli, G.; Attané, J.-P.; Jamet, M.; Jacquet, E.; George, J.-M.; Barthélémy, A.; Jaffrès, H.; Fert, A.; Bibes, M.; Vila, L.

2016-12-01

The spin-orbit interaction couples the electrons’ motion to their spin. As a result, a charge current running through a material with strong spin-orbit coupling generates a transverse spin current (spin Hall effect, SHE) and vice versa (inverse spin Hall effect, ISHE). The emergence of SHE and ISHE as charge-to-spin interconversion mechanisms offers a variety of novel spintronic functionalities and devices, some of which do not require any ferromagnetic material. However, the interconversion efficiency of SHE and ISHE (spin Hall angle) is a bulk property that rarely exceeds ten percent, and does not take advantage of interfacial and low-dimensional effects otherwise ubiquitous in spintronic hetero- and mesostructures. Here, we make use of an interface-driven spin-orbit coupling mechanism--the Rashba effect--in the oxide two-dimensional electron system (2DES) LaAlO3/SrTiO3 to achieve spin-to-charge conversion with unprecedented efficiency. Through spin pumping, we inject a spin current from a NiFe film into the oxide 2DES and detect the resulting charge current, which can be strongly modulated by a gate voltage. We discuss the amplitude of the effect and its gate dependence on the basis of the electronic structure of the 2DES and highlight the importance of a long scattering time to achieve efficient spin-to-charge interconversion.

Chem Ed Compacts.

ERIC Educational Resources Information Center

Wolf, Walter A., Ed.

1980-01-01

Presents an illustration to demonstrate the smallness of molecules; also a derivation of a temperature scale (Fahrenheit/Celsius) interconversion equation by plotting temperatures of one scale against corresponding temperature of another. (CS)

Puckering transitions in cyclohexane: Revisited

NASA Astrophysics Data System (ADS)

Kang, Young Kee; Park, Hae Sook

2018-06-01

The interconversion pathways along the puckering transitions in cyclohexane were explored on the two-dimensional projection of the Cremer-Pople sphere using DFT methods and the CCSD(T), MP2, and dispersion-corrected DFT methods with various basis sets were assessed for the relative energies of local minima and transition states for the representative puckering transition pathways. The ωB97X-D/cc-pVTZ and ωB97X-D/def2-QZVP levels of theory well reproduced the relative energies with RMSD = 0.13 kcal/mol against the CCSD(T)/CBS-limit energies. The calculated activation parameters for chair to twist-boat interconversion of cyclohexane at the ωB97X-D/cc-pVTZ//(PCM) M06-2X/6-31+G(d) level of theory were consistent with the observed values.

qcML: An Exchange Format for Quality Control Metrics from Mass Spectrometry Experiments*

PubMed Central

Walzer, Mathias; Pernas, Lucia Espona; Nasso, Sara; Bittremieux, Wout; Nahnsen, Sven; Kelchtermans, Pieter; Pichler, Peter; van den Toorn, Henk W. P.; Staes, An; Vandenbussche, Jonathan; Mazanek, Michael; Taus, Thomas; Scheltema, Richard A.; Kelstrup, Christian D.; Gatto, Laurent; van Breukelen, Bas; Aiche, Stephan; Valkenborg, Dirk; Laukens, Kris; Lilley, Kathryn S.; Olsen, Jesper V.; Heck, Albert J. R.; Mechtler, Karl; Aebersold, Ruedi; Gevaert, Kris; Vizcaíno, Juan Antonio; Hermjakob, Henning; Kohlbacher, Oliver; Martens, Lennart

2014-01-01

Quality control is increasingly recognized as a crucial aspect of mass spectrometry based proteomics. Several recent papers discuss relevant parameters for quality control and present applications to extract these from the instrumental raw data. What has been missing, however, is a standard data exchange format for reporting these performance metrics. We therefore developed the qcML format, an XML-based standard that follows the design principles of the related mzML, mzIdentML, mzQuantML, and TraML standards from the HUPO-PSI (Proteomics Standards Initiative). In addition to the XML format, we also provide tools for the calculation of a wide range of quality metrics as well as a database format and interconversion tools, so that existing LIMS systems can easily add relational storage of the quality control data to their existing schema. We here describe the qcML specification, along with possible use cases and an illustrative example of the subsequent analysis possibilities. All information about qcML is available at http://code.google.com/p/qcml. PMID:24760958

qcML: an exchange format for quality control metrics from mass spectrometry experiments.

PubMed

Walzer, Mathias; Pernas, Lucia Espona; Nasso, Sara; Bittremieux, Wout; Nahnsen, Sven; Kelchtermans, Pieter; Pichler, Peter; van den Toorn, Henk W P; Staes, An; Vandenbussche, Jonathan; Mazanek, Michael; Taus, Thomas; Scheltema, Richard A; Kelstrup, Christian D; Gatto, Laurent; van Breukelen, Bas; Aiche, Stephan; Valkenborg, Dirk; Laukens, Kris; Lilley, Kathryn S; Olsen, Jesper V; Heck, Albert J R; Mechtler, Karl; Aebersold, Ruedi; Gevaert, Kris; Vizcaíno, Juan Antonio; Hermjakob, Henning; Kohlbacher, Oliver; Martens, Lennart

2014-08-01

Quality control is increasingly recognized as a crucial aspect of mass spectrometry based proteomics. Several recent papers discuss relevant parameters for quality control and present applications to extract these from the instrumental raw data. What has been missing, however, is a standard data exchange format for reporting these performance metrics. We therefore developed the qcML format, an XML-based standard that follows the design principles of the related mzML, mzIdentML, mzQuantML, and TraML standards from the HUPO-PSI (Proteomics Standards Initiative). In addition to the XML format, we also provide tools for the calculation of a wide range of quality metrics as well as a database format and interconversion tools, so that existing LIMS systems can easily add relational storage of the quality control data to their existing schema. We here describe the qcML specification, along with possible use cases and an illustrative example of the subsequent analysis possibilities. All information about qcML is available at http://code.google.com/p/qcml. © 2014 by The American Society for Biochemistry and Molecular Biology, Inc.

The role of chromatographic and chiroptical spectroscopic techniques and methodologies in support of drug discovery for atropisomeric drug inhibitors of Bruton's tyrosine kinase.

PubMed

Dai, Jun; Wang, Chunlei; Traeger, Sarah C; Discenza, Lorell; Obermeier, Mary T; Tymiak, Adrienne A; Zhang, Yingru

2017-03-03

Atropisomers are stereoisomers resulting from hindered bond rotation. From synthesis of pure atropisomers, characterization of their interconversion thermodynamics to investigation of biological stereoselectivity, the evaluation of drug candidates subject to atropisomerism creates special challenges and can be complicated in both early drug discovery and later drug development. In this paper, we demonstrate an array of analytical techniques and systematic approaches to study the atropisomerism of drug molecules to meet these challenges. Using a case study of Bruton's tyrosine kinase (BTK) inhibitor drug candidates at Bristol-Myers Squibb, we present the analytical strategies and methodologies used during drug discovery including the detection of atropisomers, the determination of their relative composition, the identification of relative chirality, the isolation of individual atropisomers, the evaluation of interconversion kinetics, and the characterization of chiral stability in the solid state and in solution. In vivo and in vitro stereo-stability and stereo-selectivity were investigated as well as the pharmacological significance of any changes in atropisomer ratios. Techniques applied in these studies include analytical and preparative enantioselective supercritical fluid chromatography (SFC), enantioselective high performance liquid chromatography (HPLC), circular dichroism (CD), and mass spectrometry (MS). Our experience illustrates how atropisomerism can be a very complicated issue in drug discovery and why a thorough understanding of this phenomenon is necessary to provide guidance for pharmaceutical development. Analytical techniques and methodologies facilitate key decisions during the discovery of atropisomeric drug candidates by characterizing time-dependent physicochemical properties that can have significant biological implications and relevance to pharmaceutical development plans. Copyright © 2017 Elsevier B.V. All rights reserved.

Functional Dissection of Sugar Signals Affecting Gene Expression in Arabidopsis thaliana

PubMed Central

Kunz, Sabine; Pesquet, Edouard; Kleczkowski, Leszek A.

2014-01-01

Background Sugars modulate expression of hundreds of genes in plants. Previous studies on sugar signaling, using intact plants or plant tissues, were hampered by tissue heterogeneity, uneven sugar transport and/or inter-conversions of the applied sugars. This, in turn, could obscure the identity of a specific sugar that acts as a signal affecting expression of given gene in a given tissue or cell-type. Methodology/Principal Findings To bypass those biases, we have developed a novel biological system, based on stem-cell-like Arabidopsis suspension culture. The cells were grown in a hormone-free medium and were sustained on xylose as the only carbon source. Using functional genomics we have identified 290 sugar responsive genes, responding rapidly (within 1 h) and specifically to low concentration (1 mM) of glucose, fructose and/or sucrose. For selected genes, the true nature of the signaling sugar molecules and sites of sugar perception were further clarified using non-metabolizable sugar analogues. Using both transgenic and wild-type A. thaliana seedlings, it was shown that the expression of selected sugar-responsive genes was not restricted to a specific tissue or cell type and responded to photoperiod-related changes in sugar availability. This suggested that sugar-responsiveness of genes identified in the cell culture system was not biased toward heterotrophic background and resembled that in whole plants. Conclusions Altogether, our research strategy, using a combination of cell culture and whole plants, has provided an unequivocal evidence for the identity of sugar-responsive genes and the identity of the sugar signaling molecules, independently from their inter-conversions or use for energy metabolism. PMID:24950222

Directly measuring single-molecule heterogeneity using force spectroscopy

PubMed Central

Hinczewski, Michael; Thirumalai, D.

2016-01-01

One of the most intriguing results of single-molecule experiments on proteins and nucleic acids is the discovery of functional heterogeneity: the observation that complex cellular machines exhibit multiple, biologically active conformations. The structural differences between these conformations may be subtle, but each distinct state can be remarkably long-lived, with interconversions between states occurring only at macroscopic timescales, fractions of a second or longer. Although we now have proof of functional heterogeneity in a handful of systems—enzymes, motors, adhesion complexes—identifying and measuring it remains a formidable challenge. Here, we show that evidence of this phenomenon is more widespread than previously known, encoded in data collected from some of the most well-established single-molecule techniques: atomic force microscopy or optical tweezer pulling experiments. We present a theoretical procedure for analyzing distributions of rupture/unfolding forces recorded at different pulling speeds. This results in a single parameter, quantifying the degree of heterogeneity, and also leads to bounds on the equilibration and conformational interconversion timescales. Surveying 10 published datasets, we find heterogeneity in 5 of them, all with interconversion rates slower than 10 s−1. Moreover, we identify two systems where additional data at realizable pulling velocities is likely to find a theoretically predicted, but so far unobserved crossover regime between heterogeneous and nonheterogeneous behavior. The significance of this regime is that it will allow far more precise estimates of the slow conformational switching times, one of the least understood aspects of functional heterogeneity. PMID:27317744

Maximizing efficiency of rumen microbial protein production

PubMed Central

Hackmann, Timothy J.; Firkins, Jeffrey L.

2015-01-01

Rumen microbes produce cellular protein inefficiently partly because they do not direct all ATP toward growth. They direct some ATP toward maintenance functions, as long-recognized, but they also direct ATP toward reserve carbohydrate synthesis and energy spilling (futile cycles that dissipate heat). Rumen microbes expend ATP by vacillating between (1) accumulation of reserve carbohydrate after feeding (during carbohydrate excess) and (2) mobilization of that carbohydrate thereafter (during carbohydrate limitation). Protozoa account for most accumulation of reserve carbohydrate, and in competition experiments, protozoa accumulated nearly 35-fold more reserve carbohydrate than bacteria. Some pure cultures of bacteria spill energy, but only recently have mixed rumen communities been recognized as capable of the same. When these communities were dosed glucose in vitro, energy spilling could account for nearly 40% of heat production. We suspect that cycling of glycogen (a major reserve carbohydrate) is a major mechanism of spilling; such cycling has already been observed in single-species cultures of protozoa and bacteria. Interconversions of short-chain fatty acids (SCFA) may also expend ATP and depress efficiency of microbial protein production. These interconversions may involve extensive cycling of intermediates, such as cycling of acetate during butyrate production in certain butyrivibrios. We speculate this cycling may expend ATP directly or indirectly. By further quantifying the impact of reserve carbohydrate accumulation, energy spilling, and SCFA interconversions on growth efficiency, we can improve prediction of microbial protein production and guide efforts to improve efficiency of microbial protein production in the rumen. PMID:26029197

Monochloramine produces reactive oxygen species in liver by converting xanthine dehydrogenase into xanthine oxidase.

PubMed

Sakuma, Satoru; Miyoshi, Emi; Sadatoku, Namiko; Fujita, Junko; Negoro, Miki; Arakawa, Yukio; Fujimoto, Yohko

2009-09-15

In the present study, we assessed the influence of monochloramine (NH(2)Cl) on the conversion of xanthine dehydrogenase (XD) into xanthine oxidase (XO) in rat liver in vitro. When incubated with the partially purified cytosolic fraction from rat liver, NH(2)Cl (2.5-20 microM) dose-dependently enhanced XO activity concomitant with a decrease in XD activity, implying that NH(2)Cl can convert XD into the reactive oxygen species (ROS) producing form XO. The NH(2)Cl (5 microM)-induced XD/XO interconversion in the rat liver cytosol was completely inhibited when added in combination with an inhibitor of NH(2)Cl methionine (25 microM). A sulfhydryl reducing agent, dithiothreitol at concentrations of 0.1, 1 and 5 mM also dose-dependently reversed the NH(2)Cl (5 microM)-induced XD/XO interconversion. These imply that NH(2)Cl itself acts on the XD/XO interconversion, and that this conversion occurs at the cysteine residues in XD. Furthermore, using the fluorescent probe 2',7'-dichlorodihydrofluorescein diacetate, it was found that NH(2)Cl could increase ROS generation in the cytoplasm of rat primary hepatocyte cultures, and that this increase might be reversed by an XO inhibitor, allopurinol. These results suggest that NH(2)Cl has the potential to convert XD into XO in the liver, which in turn may induce the ROS generation in this region.

Monitoring of the interconversion of gamma-butyrolactone (GBL) to gamma hydroxybutyric acid (GHB) by Raman spectroscopy.

PubMed

Munshi, Tasnim; Brewster, Victoria L; Edwards, Howell G M; Hargreaves, Michael D; Jilani, Shelina K; Scowen, Ian J

2013-08-01

Gamma-hydroxybutyric acid (GHB) is a drug-of-abuse that has recently become associated with drug-facilitated sexual assault, known as date rape. For this reason the drug is commonly found 'spiked' in alcoholic beverages. When GHB is in solution it may undergo conversion into the corresponding lactone, Gamma-butyrolactone (GBL). Studies have been carried out to determine the detection limits of GHB and GBL in various solutions by Raman spectroscopy and to monitor the interconversion of GHB and GBL in solution with different pH conditions and temperature. In this study, a portable Raman spectrometer was used to study the interconversion of GHB and GBL in water and ethanol solutions as a function of pH, time, and temperature. The aim of this was to determine the optimum pH range for conversion in order to relate this to the pH ranges that the drug is likely to be subjected to, first in spiked beverages and secondly after ingestion in the digestive system. The aim was also to identify a timescale for this conversion in relation to possible scenarios, for example if GHB takes a number of hours to convert to GBL, it is likely for the beverage to be ingested before esterification can take place. GHB and GBL were then spiked into a selection of beverages of known pH in order to study the stability of GHB and GBL in real systems. Copyright © 2012 John Wiley & Sons, Ltd.

Acid-base titration of melanocortin peptides: evidence of Trp rotational conformers interconversion.

PubMed

Fernandez, Roberto M; Vieira, Renata F F; Nakaie, Clóvis R; Lamy, M Teresa; Ito, Amando S

2005-01-01

Tryptophantime-resolved fluorescence was used to monitor acid-base titration properties of alpha-melanocyte stimulating hormone (alpha-MSH) and the biologically more potent analog [Nle4, D-Phe7]alpha -MSH (NDP-MSH), labeled or not with the paramagnetic amino acid probe 2,2,6,6-tetramthylpiperidine-N-oxyl-4-amino-4-carboxylic acid (Toac). Global analysis of fluorescence decay profiles measured in the pH range between 2.0 and 11.0 showed that, for each peptide, the data could be well fitted to three lifetimes whose values remained constant. The less populated short lifetime component changed little with pH and was ascribed to Trp g+ chi1 rotamer, in which electron transfer deactivation predominates over fluorescence. The long and intermediate lifetime preexponential factors interconverted along that pH interval and the result was interpreted as due to interconversion between Trp g- and trans chi1 rotamers, driven by conformational changes promoted by modifications in the ionization state of side-chain residues. The differences in the extent of interconversion in alpha-MSH and NDP-MSH are indicative of structural differences between the peptides, while titration curves suggest structural similarities between each peptide and its Toac-labeled species, in aqueous solution. Though less sensitive than fluorescence, the Toac electron spin resonance (ESR) isotropic hyperfine splitting parameter can also monitor the titration of side-chain residues located relatively far from the probe. Copyright (c) 2005 Wiley Periodicals, Inc.

Concerted Interconversion between Ionic Lock Substates of the β2 Adrenergic Receptor Revealed by Microsecond Timescale Molecular Dynamics

PubMed Central

Romo, Tod D.; Grossfield, Alan; Pitman, Michael C.

2010-01-01

Abstract The recently solved crystallographic structures for the A2A adenosine receptor and the β1 and β2 adrenergic receptors have shown important differences between members of the class-A G-protein-coupled receptors and their archetypal model, rhodopsin, such as the apparent breaking of the ionic lock that stabilizes the inactive structure. Here, we characterize a 1.02 μs all-atom simulation of an apo-β2 adrenergic receptor that is missing the third intracellular loop to better understand the inactive structure. Although we find that the structure is remarkably rigid, there is a rapid influx of water into the core of the protein, as well as a slight expansion of the molecule relative to the crystal structure. In contrast to the x-ray crystal structures, the ionic lock rapidly reforms, although we see an activation-precursor-like event wherein the ionic lock opens for ∼200 ns, accompanied by movements in the transmembrane helices associated with activation. When the lock reforms, we see the structure return to its inactive conformation. We also find that the ionic lock exists in three states: closed (or locked), semi-open with a bridging water molecule, and open. The interconversion of these states involves the concerted motion of the entire protein. We characterize these states and the concerted motion underlying their interconversion. These findings may help elucidate the connection between key local events and the associated global structural changes during activation. PMID:20074514

20 CFR 668.840 - What cost principles apply to INA funds?

Code of Federal Regulations, 2010 CFR

2010-04-01

... 20 Employees' Benefits 3 2010-04-01 2010-04-01 false What cost principles apply to INA funds? 668.840 Section 668.840 Employees' Benefits EMPLOYMENT AND TRAINING ADMINISTRATION, DEPARTMENT OF LABOR... Requirements § 668.840 What cost principles apply to INA funds? The cost principles described in OMB Circulars...

Spin pumping and inverse spin Hall effects—Insights for future spin-orbitronics (invited)

DOE PAGES

Zhang, Wei; Jungfleisch, Matthias B.; Jiang, Wanjun; ...

2015-03-13

Quantification of spin-charge interconversion has become increasingly important in the fast-developing field of spin-orbitronics. Pure spin current generated by spin pumping acts a sensitive probe for many bulk and interface spin-orbit effects, which has been indispensable for the discovery of many promising new spin-orbit materials. Here, we apply spin pumping and inverse spin Hall effect experiments, as a useful metrology, and study spin-orbit effects in a variety of metals and metal interfaces. We also quantify the spin Hall effects in Ir and W using the conventional bilayer structures, and discuss the self-induced voltage in a single layer of ferromagnetic permalloy.more » Finally, we extend our discussions to multilayer structures and quantitatively reveal the spin current flow in two consecutive normal metal layers.« less

Interconversion between Free Charges and Bound Excitons in 2D Hybrid Lead Halide Perovskites

DOE PAGES

Gélvez-Rueda, María C.; Hutter, Eline M.; Cao, Duyen H.; ...

2017-11-03

The optoelectronic properties of hybrid perovskites can be easily tailored by varying their components. Specifically, mixing the common short organic cation (methylammonium (MA)) with a larger one (e.g., butyl ammonium (BA)) results in 2-dimensional perovskites with varying thicknesses of inorganic layers separated by the large organic cation. In both of these applications, a detailed understanding of the dissociation and recombination of electron–hole pairs is of prime importance. Here in this work, we give a clear experimental demonstration of the interconversion between bound excitons and free charges as a function of temperature by combining microwave conductivity techniques with photoluminescence measurements. Wemore » demonstrate that the exciton binding energy varies strongly (between 80 and 370 meV) with the thickness of the inorganic layers. Additionally, we show that the mobility of charges increases with the layer thickness, in agreement with calculated effective masses from electronic structure calculations.« less

Interconversion between Free Charges and Bound Excitons in 2D Hybrid Lead Halide Perovskites.

PubMed

Gélvez-Rueda, María C; Hutter, Eline M; Cao, Duyen H; Renaud, Nicolas; Stoumpos, Constantinos C; Hupp, Joseph T; Savenije, Tom J; Kanatzidis, Mercouri G; Grozema, Ferdinand C

2017-11-30

The optoelectronic properties of hybrid perovskites can be easily tailored by varying their components. Specifically, mixing the common short organic cation (methylammonium (MA)) with a larger one (e.g., butyl ammonium (BA)) results in 2-dimensional perovskites with varying thicknesses of inorganic layers separated by the large organic cation. In both of these applications, a detailed understanding of the dissociation and recombination of electron-hole pairs is of prime importance. In this work, we give a clear experimental demonstration of the interconversion between bound excitons and free charges as a function of temperature by combining microwave conductivity techniques with photoluminescence measurements. We demonstrate that the exciton binding energy varies strongly (between 80 and 370 meV) with the thickness of the inorganic layers. Additionally, we show that the mobility of charges increases with the layer thickness, in agreement with calculated effective masses from electronic structure calculations.

Interconversion between Free Charges and Bound Excitons in 2D Hybrid Lead Halide Perovskites

PubMed Central

2017-01-01

The optoelectronic properties of hybrid perovskites can be easily tailored by varying their components. Specifically, mixing the common short organic cation (methylammonium (MA)) with a larger one (e.g., butyl ammonium (BA)) results in 2-dimensional perovskites with varying thicknesses of inorganic layers separated by the large organic cation. In both of these applications, a detailed understanding of the dissociation and recombination of electron–hole pairs is of prime importance. In this work, we give a clear experimental demonstration of the interconversion between bound excitons and free charges as a function of temperature by combining microwave conductivity techniques with photoluminescence measurements. We demonstrate that the exciton binding energy varies strongly (between 80 and 370 meV) with the thickness of the inorganic layers. Additionally, we show that the mobility of charges increases with the layer thickness, in agreement with calculated effective masses from electronic structure calculations. PMID:29218073

A new fundamental type of conformational isomerism

NASA Astrophysics Data System (ADS)

Canfield, Peter J.; Blake, Iain M.; Cai, Zheng-Li; Luck, Ian J.; Krausz, Elmars; Kobayashi, Rika; Reimers, Jeffrey R.; Crossley, Maxwell J.

2018-06-01

Isomerism is a fundamental chemical concept, reflecting the fact that the arrangement of atoms in a molecular entity has a profound influence on its chemical and physical properties. Here we describe a previously unclassified fundamental form of conformational isomerism through four resolved stereoisomers of a transoid (BF)O(BF)-quinoxalinoporphyrin. These comprise two pairs of enantiomers that manifest structural relationships not describable within existing IUPAC nomenclature and terminology. They undergo thermal diastereomeric interconversion over a barrier of 104 ± 2 kJ mol-1, which we term `akamptisomerization'. Feasible interconversion processes between conceivable synthesis products and reaction intermediates were mapped out by density functional theory calculations, identifying bond-angle inversion (BAI) at a singly bonded atom as the reaction mechanism. We also introduce the necessary BAI stereodescriptors parvo and amplo. Based on an extended polytope formalism of molecular structure and stereoisomerization, BAI-driven akamptisomerization is shown to be the final fundamental type of conformational isomerization.

Asymmetric synthesis of α-amino acids via homologation of Ni(II) complexes of glycine Schiff bases. Part 2: aldol, Mannich addition reactions, deracemization and (S) to (R) interconversion of α-amino acids.

PubMed

Sorochinsky, Alexander E; Aceña, José Luis; Moriwaki, Hiroki; Sato, Tatsunori; Soloshonok, Vadim

2013-11-01

This review provides a comprehensive treatment of literature data dealing with asymmetric synthesis of α-amino-β-hydroxy and α,β-diamino acids via homologation of chiral Ni(II) complexes of glycine Schiff bases using aldol and Mannich-type reactions. These reactions proceed with synthetically useful chemical yields and thermodynamically controlled stereoselectivity and allow direct introduction of two stereogenic centers in a single operation with predictable stereochemical outcome. Furthermore, new application of Ni(II) complexes of α-amino acids Schiff bases for deracemization of racemic α-amino acids and (S) to (R) interconversion providing additional synthetic opportunities for preparation of enantiomerically pure α-amino acids, is also reviewed. Origin of observed diastereo-/enantioselectivity in the aldol, Mannich-type and deracemization reactions, generality and limitations of these methodologies are critically discussed.

Trivalent chromium solubility and its influence on quantification of hexavalent chromium in ambient particulate matter using EPA method 6800.

PubMed

Huang, Lihui; Yu, Chang Ho; Hopke, Philip K; Shin, Jin Young; Fan, Zhihua

2014-12-01

Measurement of carcinogenic Cr(VI) in ambient PM is challenging due to potential errors associated with conversion between Cr (VI) (a carcinogen) and Cr(III) (an essential nutrient). Cr(III) conversion is a particular concern due to its > 80% atomic abundance in total Cr. US. Environmental Protection Agency (EPA) method 6800 that uses water-soluble isotope spikes can be used to correct the interconversion. However, whether the enriched Cr(III) isotope spikes can adequately mimic the Cr(III) species originally in ambient PM is unknown. This study examined the water solubility of Cr(III) in ambient PM and discussed its influence on Cr(VI) measurement. Ambient PM10 samples were collected on Teflon filters at four sites in New Jersey that may have different Cr emission sources. The samples were ultrasonically extracted with 5 mL DI-H2O (pH 5.7) at room temperature for 40 min, and then analyzed by ion chromatography-inductively coupled plasma mass spectrometry (IC-ICPMS). Cr(III) was below detection limit (0.06 ng/m3) for all samples, suggesting water-soluble Cr(III) species, such as CrCl3, Cr(NO3)3, and amorphous Cr(OH)3, in the ambient PM were negligible. Therefore, the enriched 50Cr(III) isotope spike (in the form of Cr(NO3)3) could not mimic the original ambient Cr(III). Only the conversion of 53Cr(VI) (in the form of K2CrO4) was taken into account when correcting the interconversion. We then used NaHCO3-pretreated MCE filters (prespiked with enriched isotope species) to measure Cr(VI) in the ambient PM10. The samples were ultrasonically extracted at 60 C pH 9 solutions for 40 min followed by IC-ICPMS analysis. Due to the correction of Cr(VI) reduction, the Cr(VI) concentrations determined by EPA method 6800, 0.26 ± 0.16 (summer) and 0.16 ± 0.11(winter) ng/m3 (n = 64), were significantly greater than those by the external standard curve, 0.21 ± 0.17 (summer) and 0.10 ± 0.07 (winter) ng/m3 (n = 56) (p < 0.01, Student's t-test). Our study revealed that appropriate application of EPA method 6800 is important because it only applies to soluble fraction of Cr species in ambient PM. Implications: Accurate measurement of carcinogenic Cr(VI) in ambient PM is challenging due to conversion between Cr(VI) (a human carcinogen) and Cr(III) (a human essential nutrient). The conversion of CR(III) is of particular concern due to its dominant presence in total Cr (>80%). This study examined the water solubility of Cr(III) in ambient PM that was collected at four locations in New Jersey. Then we discussed the influence of Cr(III) solubility on the application of EPA method 6800, which utilizes enriched isotope spikes to correct the interconversion. Our results suggested that appropriate application of EPA method 6800 is important because it only applies to soluble fraction of Cr species.

25 CFR 42.1 - What general principles apply to this part?

Code of Federal Regulations, 2010 CFR

2010-04-01

... 25 Indians 1 2010-04-01 2010-04-01 false What general principles apply to this part? 42.1 Section 42.1 Indians BUREAU OF INDIAN AFFAIRS, DEPARTMENT OF THE INTERIOR EDUCATION STUDENT RIGHTS § 42.1 What general principles apply to this part? (a) This part applies to every Bureau-funded school. The...

SNPs in genes functional in starch-sugar interconversion associate with natural variation of tuber starch and sugar content of potato (Solanum tuberosum L.).

PubMed

Schreiber, Lena; Nader-Nieto, Anna Camila; Schönhals, Elske Maria; Walkemeier, Birgit; Gebhardt, Christiane

2014-07-31

Starch accumulation and breakdown are vital processes in plant storage organs such as seeds, roots, and tubers. In tubers of potato (Solanum tuberosum L.) a small fraction of starch is converted into the reducing sugars glucose and fructose. Reducing sugars accumulate in response to cold temperatures. Even small quantities of reducing sugars affect negatively the quality of processed products such as chips and French fries. Tuber starch and sugar content are inversely correlated complex traits that are controlled by multiple genetic and environmental factors. Based on in silico annotation of the potato genome sequence, 123 loci are involved in starch-sugar interconversion, approximately half of which have been previously cloned and characterized. By means of candidate gene association mapping, we identified single-nucleotide polymorphisms (SNPs) in eight genes known to have key functions in starch-sugar interconversion, which were diagnostic for increased tuber starch and/or decreased sugar content and vice versa. Most positive or negative effects of SNPs on tuber-reducing sugar content were reproducible in two different collections of potato cultivars. The diagnostic SNP markers are useful for breeding applications. An allele of the plastidic starch phosphorylase PHO1a associated with increased tuber starch content was cloned as full-length cDNA and characterized. The PHO1a-HA allele has several amino acid changes, one of which is unique among all known starch/glycogen phosphorylases. This mutation might cause reduced enzyme activity due to impaired formation of the active dimers, thereby limiting starch breakdown. Copyright © 2014 Schreiber et al.

SNPs in Genes Functional in Starch-Sugar Interconversion Associate with Natural Variation of Tuber Starch and Sugar Content of Potato (Solanum tuberosum L.)

PubMed Central

Schreiber, Lena; Nader-Nieto, Anna Camila; Schönhals, Elske Maria; Walkemeier, Birgit; Gebhardt, Christiane

2014-01-01

Starch accumulation and breakdown are vital processes in plant storage organs such as seeds, roots, and tubers. In tubers of potato (Solanum tuberosum L.) a small fraction of starch is converted into the reducing sugars glucose and fructose. Reducing sugars accumulate in response to cold temperatures. Even small quantities of reducing sugars affect negatively the quality of processed products such as chips and French fries. Tuber starch and sugar content are inversely correlated complex traits that are controlled by multiple genetic and environmental factors. Based on in silico annotation of the potato genome sequence, 123 loci are involved in starch-sugar interconversion, approximately half of which have been previously cloned and characterized. By means of candidate gene association mapping, we identified single-nucleotide polymorphisms (SNPs) in eight genes known to have key functions in starch-sugar interconversion, which were diagnostic for increased tuber starch and/or decreased sugar content and vice versa. Most positive or negative effects of SNPs on tuber-reducing sugar content were reproducible in two different collections of potato cultivars. The diagnostic SNP markers are useful for breeding applications. An allele of the plastidic starch phosphorylase PHO1a associated with increased tuber starch content was cloned as full-length cDNA and characterized. The PHO1a-HA allele has several amino acid changes, one of which is unique among all known starch/glycogen phosphorylases. This mutation might cause reduced enzyme activity due to impaired formation of the active dimers, thereby limiting starch breakdown. PMID:25081979

De(side chain) model of epothilone: bioconformer interconversions DFT study.

PubMed

Rusinska-Roszak, Danuta; Lozynski, Marek

2009-07-01

Using ab initio methods, we have studied conformations of the de(sidechain)de(dioxy)difluoroepothilone model to quantify the effect of stability change between the exo and endo conformers of the epoxy ring. The DFT minimization of the macrolactone ring reveals four low energy conformers, although MP2 predicted five stable structures. The model tested with DFT hybride functional (B3LYP/6-31+G(d,p)) exhibits the global minimum for one of the exo forms (C), experimentally observed in the solid state, but unexpectedly with the MP2 electron correlation method for the virtual endo form (W). Using the QST3 technique, several pathways were found for the conversion of the low energy conformers to the other low energy exo representatives, as well as within the endo analog subset. The potential energy relationships obtained for several exo forms suggest a high conformational mobility between three, experimentally observed, conformers. The high rotational barrier, however, excludes direct equilibrium with experimental EC-derived endo form S. The highest calculated transition state for the conversion of the most stable exo M interligand to the endo S form is approximately a 28 kcal/mol above the energy of the former. The two-step interconversion of the exo H conformer to the endo S requires at least 28 kcal/mol. Surprisingly, we found that the transition state energy of the H form to the virtual endo W has the acceptable value of about 9 kcal/mol and the next energy barrier for free interconversion of endo W to endo S is 13 kcal/mol.

Solving Accounting Problems: Differences between Accounting Experts and Novices.

ERIC Educational Resources Information Center

Marshall, P. Douglas

2002-01-01

Performance of 90 accounting experts (faculty and practitioners) and 60 novices (senior accounting majors) was compared. Experts applied more accounting principles to solving problems. There were no differences in types of principles applied and no correlation between (1) principles applied and number of breadth comments or (2) importance placed…

Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.

PubMed

Kohlmann, Anna; Zech, Stephan G; Li, Feng; Zhou, Tianjun; Squillace, Rachel M; Commodore, Lois; Greenfield, Matthew T; Lu, Xiaohui; Miller, David P; Huang, Wei-Sheng; Qi, Jiwei; Thomas, R Mathew; Wang, Yihan; Zhang, Sen; Dodd, Rory; Liu, Shuangying; Xu, Rongsong; Xu, Yongjin; Miret, Juan J; Rivera, Victor; Clackson, Tim; Shakespeare, William C; Zhu, Xiaotian; Dalgarno, David C

2013-02-14

Lactate dehydrogenase A (LDH-A) catalyzes the interconversion of lactate and pyruvate in the glycolysis pathway. Cancer cells rely heavily on glycolysis instead of oxidative phosphorylation to generate ATP, a phenomenon known as the Warburg effect. The inhibition of LDH-A by small molecules is therefore of interest for potential cancer treatments. We describe the identification and optimization of LDH-A inhibitors by fragment-based drug discovery. We applied ligand based NMR screening to identify low affinity fragments binding to LDH-A. The dissociation constants (K(d)) and enzyme inhibition (IC(50)) of fragment hits were measured by surface plasmon resonance (SPR) and enzyme assays, respectively. The binding modes of selected fragments were investigated by X-ray crystallography. Fragment growing and linking, followed by chemical optimization, resulted in nanomolar LDH-A inhibitors that demonstrated stoichiometric binding to LDH-A. Selected molecules inhibited lactate production in cells, suggesting target-specific inhibition in cancer cell lines.

Revisiting big-bang nucleosynthesis constraints on long-lived decaying particles

NASA Astrophysics Data System (ADS)

Kawasaki, Masahiro; Kohri, Kazunori; Moroi, Takeo; Takaesu, Yoshitaro

2018-01-01

We study the effects of long-lived massive particles, which decayed during the big-bang nucleosynthesis (BBN) epoch, on the primordial abundance of light elements. Compared to previous studies, (i) the reaction rates of standard BBN reactions are updated, (ii) the most recent observational data on the light element abundance and cosmological parameters are used, (iii) the effects of the interconversion of energetic nucleons at the time of inelastic scattering with background nuclei are considered, and (iv) the effects of the hadronic shower induced by energetic high-energy antinucleons are included. We compare the theoretical predictions on the primordial abundance of light elements with the latest observational constraints, and we derive upper bounds on the relic abundance of the decaying particle as a function of its lifetime. We also apply our analysis to an unstable gravitino, the superpartner of a graviton in supersymmetric theories, and obtain constraints on the reheating temperature after inflation.

41 CFR 102-3.95 - What principles apply to the management of advisory committees?

Code of Federal Regulations, 2010 CFR

2010-07-01

... 41 Public Contracts and Property Management 3 2010-07-01 2010-07-01 false What principles apply to...-FEDERAL ADVISORY COMMITTEE MANAGEMENT How Are Advisory Committees Managed? § 102-3.95 What principles... principles to the management of their advisory committees: (a) Provide adequate support. Before establishing...

Competency Test Items for Applied Principles of Agribusiness and Natural Resources Occupations. Agricultural Mechanics Component. A Report of Research.

ERIC Educational Resources Information Center

Cheek, Jimmy G.; McGhee, Max B.

An activity was undertaken to develop written criterion-referenced tests for the agricultural mechanics component of the Applied Principles of Agribusiness and Natural Resources. Intended for tenth grade students who have completed Fundamentals of Agribusiness and Natural Resources Occupations, applied principles were designed to consist of three…

Competency Test Items for Applied Principles of Agribusiness and Natural Resources Occupations. Common Core Component. A Report of Research.

ERIC Educational Resources Information Center

Cheek, Jimmy G.; McGhee, Max B.

An activity was undertaken to develop written criterion-referenced tests for the common core component of Applied Principles of Agribusiness and Natural Resources Occupations. Intended for tenth grade students who have completed Fundamentals of Agribusiness and Natural Resources Occupations, applied principles were designed to consist of three…

Competency Test Items for Applied Principles of Agribusiness and Natural Resources Occupations. Forestry Component. A Report of Research.

ERIC Educational Resources Information Center

Cheek, Jimmy G.; McGhee, Max B.

An activity was undertaken to develop written criterion-referenced tests for the forestry component of Applied Principles of Agribusiness and Natural Resources. Intended for tenth grade students who have completed Fundamentals of Agribusiness and Natural Resources Occupations, applied principles were designed to consist of three components, with…

Competency Test Items for Applied Principles of Agribusiness and Natural Resources Occupations. Agricultural Resources Component. A Report of Research.

ERIC Educational Resources Information Center

Cheek, Jimmy G.; McGhee, Max B.

An activity was undertaken to develop written criterion-referenced tests for the agricultural resources component of Applied Principles of Agribusiness and Natural Resources. Intended for tenth grade students who have completed Fundamentals of Agribusiness and Natural Resources Occupations, applied principles were designed to consist of three…

Competency Test Items for Applied Principles of Agribusiness and Natural Resources Occupations. Agricultural Production Component. A Report of Research.

ERIC Educational Resources Information Center

Cheek, Jimmy G.; McGhee, Max B.

An activity was undertaken to develop written criterion-referenced tests for the agricultural production component of Applied Principles of Agribusiness and Natural Resources Occupations. Intended for tenth grade students who have completed Fundamentals of Agribusiness and Natural Resources Occupations, applied principles were designed to consist…

Biosynthesis of UDP-GlcNAc, UndPP-GlcNAc and UDP-GlcNAcA Involves Three Easily Distinguished 4-Epimerase Enzymes, Gne, Gnu and GnaB

PubMed Central

Cunneen, Monica M.; Liu, Bin; Wang, Lei; Reeves, Peter R.

2013-01-01

We have undertaken an extensive survey of a group of epimerases originally named Gne, that were thought to be responsible for inter-conversion of UDP-N-acetylglucosamine (UDP-GlcNAc) and UDP-N-acetylgalactosamine (UDP-GalNAc). The analysis builds on recent work clarifying the specificity of some of these epimerases. We find three well defined clades responsible for inter-conversion of the gluco- and galacto-configuration at C4 of different N-acetylhexosamines. Their major biological roles are the formation of UDP-GalNAc, UDP-N-acetylgalactosaminuronic acid (UDP-GalNAcA) and undecaprenyl pyrophosphate-N-acetylgalactosamine (UndPP-GalNAc) from the corresponding glucose forms. We propose that the clade of UDP-GlcNAcA epimerase genes be named gnaB and the clade of UndPP-GlcNAc epimerase genes be named gnu, while the UDP-GlcNAc epimerase genes retain the name gne. The Gne epimerases, as now defined after exclusion of those to be named GnaB or Gnu, are in the same clade as the GalE 4-epimerases for inter-conversion of UDP-glucose (UDP-Glc) and UDP-galactose (UDP-Gal). This work brings clarity to an area that had become quite confusing. The identification of distinct enzymes for epimerisation of UDP-GlcNAc, UDP-GlcNAcA and UndPP-GlcNAc will greatly facilitate allocation of gene function in polysaccharide gene clusters, including those found in bacterial genome sequences. A table of the accession numbers for the 295 proteins used in the analysis is provided to enable the major tree to be regenerated with the inclusion of additional proteins of interest. This and other suggestions for annotation of 4-epimerase genes will facilitate annotation. PMID:23799153

Interconversion of CO2 and formic acid by bio-inspired Ir complexes with pendent bases.

PubMed

Fujita, Etsuko; Muckerman, James T; Himeda, Yuichiro

2013-01-01

Recent investigations of the interconversion of CO2 and formic acid using Ru, Ir and Fe complexes are summarized in this review. During the past several years, both the reaction rates and catalyst stabilities have been significantly improved. Remarkably, the interconversion (i.e., reversibility) has also been achieved under mild conditions in environmentally benign water solvent by slightly changing the pH of the aqueous solution. Only a few catalysts seem to reflect a bio-inspired design such as the use of proton responsive ligands, ligands with pendent bases or acids for a second-coordination-sphere interaction, electroresponsive ligands, and/or ligands having a hydrogen bonding function with a solvent molecule or an added reagent. The most successful of these is an iridium dinuclear complex catalyst that at least has the first three of these characteristics associated with its bridging ligand. By utilizing an acid/base equilibrium for proton removal, the ligand becomes a strong electron donor, resulting in Ir(I) character with a vacant coordination site at each metal center in slightly basic solution. Complemented by DFT calculations, kinetic studies of the rates of formate production using a related family of Ir complexes with and without such functions on the ligand reveal that the rate-determining step for the CO2 hydrogenation is likely to be H2 addition through heterolytic cleavage involving a "proton relay" through the pendent base. The dehydrogenation of formic acid, owing to the proton responsive ligands changing character under slightly acidic pH conditions, is likely to occur by a mechanism with a different rate-determining step. This article is part of a Special Issue entitled: Metals in Bioenergetics and Biomimetics Systems. Copyright © 2012 Elsevier B.V. All rights reserved.

Interconversion of ephedrine and pseudoephedrine during chemical derivatization.

PubMed

Wong, Colton H F; Ho, Emmie N M; Kwok, W H; Leung, David K K; Leung, Gary N W; Tang, Francis P W; Wong, April S Y; Wong, Jenny K Y; Yu, Nola H; Wan, Terence S M

2012-12-01

Gas chromatography-mass spectrometry (GC-MS) analysis after heptafluorobutyric anhydride (HFBA) derivatization was one of the published methods used for the quantification of ephedrine (EP) and pseudoephedrine (PE) in urine. This method allows the clear separation of the derivatized diastereoisomers on a methyl-silicone-based column. Recently the authors came across a human urine sample with apparently high levels (µg/ml) of EP and PE upon initial screening. However, duplicate analyses of this sample using the HFBA-GC-MS method revealed an unusual discrepancy in the estimated levels of EP and PE, with the area response ratios of EP/PE at around 29% on one occasion and around 57% on another. The same sample was re-analyzed for EP and PE using other techniques, including GC-MS after trimethylsilylation and ultra-high-performance liquid chromatography-tandem mass spectrometry. Surprisingly, the concentration of EP in the sample was determined to be at least two orders of magnitude less than what was observed with the HFBA-GC-MS method. A thorough investigation was then conducted, and the results showed that both substances could interconvert during HFBA derivatization. Similar diastereoisomeric conversion was also observed using other fluorinated acylating agents (e.g. pentafluoropropionic anhydride and trifluoroacetic anhydride). The extent of interconversion was correlated with the degree of fluorination of the acylating agents, with HFBA giving the highest conversion. This conversion has never been reported before. A mechanism for the interconversion was proposed. These findings indicated that fluorinated acylating agents should not be used for the unequivocal identification or quantification of EP and PE as the results obtained can be erroneous. Copyright © 2012 John Wiley & Sons, Ltd.

Interconversion of dynamic modulus to creep compliance and relaxation modulus : numerical modeling and laboratory validation - final report.

DOT National Transportation Integrated Search

2016-09-01

Viscoelastic material functions such as time domain functions, such as, relaxation modulus and creep compliance, : or frequency domain function, such as, complex modulus can be used to characterize the linear viscoelastic behavior : of asphalt concre...

Examination of the potential for adaptive chirality of the nitrogen chiral center in aza-aspartame.

PubMed

Bouayad-Gervais, Samir H; Lubell, William D

2013-11-28

The potential for dynamic chirality of an azapeptide nitrogen was examined by substitution of nitrogen for the α-carbon of the aspartate residue in the sweetener S,S-aspartame. Considering that S,S- and R,S-aspartame possess sweet and bitter tastes, respectively, a bitter-sweet taste of aza-aspartame 9 could be indicative of a low isomerization barrier for nitrogen chirality inter-conversion. Aza-aspartame 9 was synthesized by a combination of hydrazine and peptide chemistry. Crystallization of 9 indicated a R,S-configuration in the solid state; however, the aza-residue chiral center was considerably flattened relative to its natural amino acid counterpart. On tasting, the authors considered aza-aspartame 9 to be slightly bitter or tasteless. The lack of bitter sweet taste of aza-aspartame 9 may be due to flattening from sp2 hybridization in the urea as well as a high barrier for sp3 nitrogen inter-conversion, both of which may interfere with recognition by taste receptors.

On-the-Fly ab Initio Semiclassical Calculation of Glycine Vibrational Spectrum

PubMed Central

2017-01-01

We present an on-the-fly ab initio semiclassical study of vibrational energy levels of glycine, calculated by Fourier transform of the wavepacket correlation function. It is based on a multiple coherent states approach integrated with monodromy matrix regularization for chaotic dynamics. All four lowest-energy glycine conformers are investigated by means of single-trajectory semiclassical spectra obtained upon classical evolution of on-the-fly trajectories with harmonic zero-point energy. For the most stable conformer I, direct dynamics trajectories are also run for each vibrational mode with energy equal to the first harmonic excitation. An analysis of trajectories evolved up to 50 000 atomic time units demonstrates that, in this time span, conformers II and III can be considered as isolated species, while conformers I and IV show a pretty facile interconversion. Therefore, previous perturbative studies based on the assumption of isolated conformers are often reliable but might be not completely appropriate in the case of conformer IV and conformer I for which interconversion occurs promptly. PMID:28489368

Self-Assembled Polysaccharide Nanotubes Generated from β-1,3-Glucan Polysaccharides

NASA Astrophysics Data System (ADS)

Numata, Munenori; Shinkai, Seiji

β-1,3-Glucans act as unique natural nanotubes, the features of which are greatly different from other natural or synthetic helical polymers. The origin mostly stems from their strong helix-forming nature and reversible interconversion between single-strand random coil and triple-strand helix. During this interconversion process, they can accept functional polymers, molecular assemblies and nanoparticles in an induced-fit manner to create water-soluble one-dimensional nanocomposites, where individual conjugated polymers or molecular assemblies can be incorporated into the one-dimensional hollow constructed by the helical superstructure of β-1,3-glucans. The advantageous point of the β-1,3-glucan hosting system is that the selective modification of β-1,3-glucans leads to the creation of various functional one-dimensional nanocomposites in a supramolecular manner, being applicable toward fundamental nanomaterials such as sensors or circuits. Furthermore, the composites with functional surfaces can act as one-dimensional building blocks toward further hierarchical self-assemblies, leading to the creation of two- or three-dimensional nanoarchitectures.

Heteroleptic metallosupramolecular racks, rectangles, and trigonal prisms: stoichiometry-controlled reversible interconversion.

PubMed

Neogi, Subhadip; Lorenz, Yvonne; Engeser, Marianne; Samanta, Debabrata; Schmittel, Michael

2013-06-17

A simple approach toward preparation of heteroleptic two-dimensional (2D) rectangles and three-dimensional (3D) triangular prisms is described utilizing the HETPYP (HETeroleptic PYridyl and Phenanthroline metal complexes) concept. By mixing metal-loaded linear bisphenanthrolines of varying lengths with diverse (multi)pyridine (py) ligands in a proper ratio, six different self-assembled architectures arise cleanly and spontaneously in the absence of any template. They are characterized by (1)H and DOSY NMR, ESI-FT-ICR mass spectrometry as well as by Job plots and UV-vis titrations. Density functional theory (DFT) computations provide information about each structure. A stoichiometry-controlled supramolecule-to-supramolecule interconversion based on the relative amounts of metal bisphenanthroline and bipyridine forces the rectangular assembly to reorganize to a rack architecture and back to the rectangle, as clearly supported by variable temperature and DOSY NMR as well as dynamic light scattering data. The highly dynamic nature of the assemblies represents a promising starting point for constitutional dynamic materials.

The Role of Human Aldo-Keto Reductases in the Metabolic Activation and Detoxication of Polycyclic Aromatic Hydrocarbons: Interconversion of PAH Catechols and PAH o-Quinones

PubMed Central

Zhang, Li; Jin, Yi; Huang, Meng; Penning, Trevor M.

2012-01-01

Polycyclic aromatic hydrocarbons (PAH) are ubiquitous environmental pollutants. They are procarcinogens requiring metabolic activation to elicit their deleterious effects. Aldo-keto reductases (AKR) catalyze the oxidation of proximate carcinogenic PAH trans-dihydrodiols to yield electrophilic and redox-active PAH o-quinones. AKRs are also found to be capable of reducing PAH o-quinones to form PAH catechols. The interconversion of o-quinones and catechols results in the redox-cycling of PAH o-quinones to give rise to the generation of reactive oxygen species and subsequent oxidative DNA damage. On the other hand, PAH catechols can be intercepted through phase II metabolism by which PAH o-quinones could be detoxified and eliminated. The aim of the present review is to summarize the role of human AKRs in the metabolic activation/detoxication of PAH and the relevance of phase II conjugation reactions to human lung carcinogenesis. PMID:23162467

Free-space microwave-to-optical conversion via six-wave mixing in Rydberg atoms

NASA Astrophysics Data System (ADS)

Han, Jingshan; Vogt, Thibault; Gross, Christian; Jaksch, Dieter; Kiffner, Martin; Li, Wenhui

2017-04-01

The interconversion of millimeter waves and optical fields is an important and highly topical subject for classical and quantum technologies. In this talk, we report an experimental demonstration of coherent and efficient microwave-to-optical conversion in free space via six-wave mixing in Rydberg atoms. Our scheme utilizes the strong coupling of millimeter waves to Rydberg atoms as well as the frequency mixing based on electromagnetically induced transparency (EIT) that greatly enhances the nonlinearity for the conversion process. We achieve a free-space conversion efficiency of 0.25% with a bandwidth of about 4 MHz in our experiment. Optimized geometry and energy level configurations should enable the broadband interconversion of microwave and optical fields with near-unity efficiency. These results indicate the tremendous potential of Rydberg atoms for the efficient conversion between microwave and optical fields, and thus paves the way to many applications. This work is supported by Singapore Ministry of Education Academic Research Fund Tier 2 (Grant No. MOE2015-T2-1-085).

Applying principles from safety science to improve child protection.

PubMed

Cull, Michael J; Rzepnicki, Tina L; O'Day, Kathryn; Epstein, Richard A

2013-01-01

Child Protective Services Agencies (CPSAs) share many characteristics with other organizations operating in high-risk, high-profile industries. Over the past 50 years, industries as diverse as aviation, nuclear power, and healthcare have applied principles from safety science to improve practice. The current paper describes the rationale, characteristics, and challenges of applying concepts from the safety culture literature to CPSAs. Preliminary efforts to apply key principles aimed at improving child safety and well-being in two states are also presented.

KINETIC MODELING OF NOX FORMATION AND DESTRUCTION AND COMBUSTIBLES BURNOUT

EPA Science Inventory

The report describes a model of the gas-phase chemistry involved in the combustion of simple hydrocarbon fuels and the interconversion of fixed nitrogen species. One focus of the work was on modeling the chemistry involved in reburning and other advanced NOx control strategies. A...

Le Chatelier's Principle in Sensation and Perception: Fractal-Like Enfolding at Different Scales

PubMed Central

Norwich, Kenneth H.

2010-01-01

Le Chatelier's principle asserts that a disturbance, when applied to a resting system may drive the system away from its equilibrium state, but will invoke a countervailing influence that will counteract the effect of the disturbance. When applied to the field of sensation and perception, a generalized stimulus will displace the system from equilibrium, and a generalized adaptation process will serve as the countervailing influence tending to reduce the impact of the stimulus. The principle applies at all levels, from the behavioral to the neural, the larger enfolding the smaller in fractal-like form. Le Chatelier's principle, so applied, leads to the unification of many concepts in sensory science. Ideas as diverse as sensory adaptation, reflex arcs, and simple deductive logic can be brought under the umbrella of a single orienting principle. Beyond unification, this principle allows us to approach many questions in pathophysiology from a different perspective. For example, we find new direction toward the reduction of phantom-limb pain and possibly of vertigo. PMID:21423359

Cell wall composition and digestibility alterations in Brachypodium distachyon acheived through reduced expression of the UDP-arabinopyranose mutase

USDA-ARS?s Scientific Manuscript database

Plant cell-wall polysaccharide biosynthesis requires nucleotide-activated sugars. The prominent grass cell wall sugars, glucose (Glc), xylose (Xyl), and arabinose (Ara), are biosynthetically related via the UDP-sugar interconversion pathway. RNA-seq analysis of Brachypodium distachyon UDP-sugar inte...

Report on the Recommended Method to Measure the Carbon Footprint of a USCG Vessel

DTIC Science & Technology

2011-01-01

Sector Standard applies the principles of financial accounting and reporting to ensure the accurate account of an agency’s GHG emissions. These...applies the principles of financial accounting and reporting to ensure the accurate account of an agency’s GHG emissions. These principles include

Judo principles and practices: applications to conflict-solving strategies in psychotherapy.

PubMed

Gleser, J; Brown, P

1988-07-01

Jigoro Kano created judo from ju-jitsu techniques. He realized that the Ju principle of both judo and ju-jitsu as the art of yielding, was that of living and changing. The principle of yielding has been applied in dynamic and directive psychotherapies for many years and was recently linked to the Ju principle in martial arts. After several years of using a modified judo practice as a therapeutic tool, and applying the principle of yielding as a dynamic conflict-solving strategy, the authors discovered judo principles applicable to conflict solving, particularly for regressed and violent psychotic patients.

The Thinking Parent: Understanding and Guiding Your Child.

ERIC Educational Resources Information Center

Stokes, Anne

Noting that the principles of good child rearing that apply to very young children are the foundation of the principles that deal with older children, this book translates those early foundational principles and applies them to the kindergarten through grade six child. The material uses a common sense approach that acknowledges the uniqueness of…

Application of the principle of similarity fluid mechanics

NASA Technical Reports Server (NTRS)

Hendericks, R. C.; Sengers, J. V.

1979-01-01

The principle of similarity applied to fluid mechanics is described and illustrated. The concept of transforming the conservation equations by combining similarity principles for thermophysical properties with those for fluid flow is examined. The usefulness of the procedure is illustrated by applying such a transformation to calculate two phase critical mass flow through a nozzle.

Applying lean management principles to the creation of a postpartum hemorrhage care bundle.

PubMed

Faulkner, Beth

2013-10-01

A lean management process is a set of interventions, each of which creates value for the customer. Lean management is not a new concept, but is relatively new to health care. Postpartum hemorrhage (PPH) is the most common cause of maternal death worldwide in both developing and developed countries. We applied lean management principles as an innovative approach to improving outcomes in patients with PPH. Initial results using principles of lean management indicated significant improvements in response time and family-centered care. When applied rigorously and throughout the organization, lean principles can have a dramatic effect on productivity, cost and quality. © 2013 AWHONN.

Biochemical Evolution of Iron and Copper Proteins, Substances Vital to Life

ERIC Educational Resources Information Center

Frieden, Earl

1974-01-01

Summarizes studies in the area of biochemical evolution of iron, copper, and heme proteins to provide an historical outline. Included are lists of major kinds of proteins and enzymes and charts illustrating electron flow in a cytochrome electron transport system and interconversion of jerrous to ferric ion in iron metabolism. (CC)

Superconducting Qubit Optical Transducer (SQOT)

DTIC Science & Technology

2015-08-05

2 2.2 Qubit- Photon Entanglement . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4 2.2.1 System...and a high Q will make this challenging. 3 2.2 QUBIT- PHOTON ENTANGLEMENT The parametric interaction enables interconversion between the microwave and...to observe entanglement between a qubit and optical photon and similar to experiments demonstrated solely in the microwave domain [4]: 1. Start with

A table for converting pH to hydrogen ion concentration [H+] over the range 5-9.

DOT National Transportation Integrated Search

1968-10-01

The wider use, in the future, of hydrogen ion concentration (H+) rather than pH to describe and evaluate acid-base status will require interconversion of the two notations until a final standard is adopted. The relationship between pH and (H+) is giv...

Activation of chronic toxoplasmosis by transportation stress in a mouse model.

PubMed

Shen, Bang; Yuan, Yuan; Cheng, Jianxi; Pan, Ming; Xia, Ningbo; Zhang, Weichao; Wang, Yifan; Zhou, Yanqin; Zhao, Junlong

2016-12-27

Toxoplasma gondii is an obligate intracellular parasite infecting 25% of the world population and enormous number of animals. It can exist in two forms in intermediate hosts: the fast replicating tachyzoites responsible for acute infection and the slowly replicating bradyzoites responsible for life-long chronic infection. The interconversion between tachyzoites and bradyzoites plays critical roles in the transmission and pathogenesis of T. gondii. However, the molecular mechanisms that govern the interconversion are largely unknown. In this study, we established a chronic infection model in mice and examined the impact of transportation stress on the status of chronic infection. Our results demonstrated that, treating chronically infected mice with conditions mimicking transportation stress reduced the levels of several key cytokines that restrict the infection at chronic stage. Increased expression of the tachyzoite specific gene SAG1 (surface antigen 1) was detected in brain cysts of stress treated mice, indicating activation and conversion of bradyzoites to tachyzoites. Using this model, we identified fifteen toxoplasmic proteins that had significant abundance changes during stress induced cysts reactivation. These proteins serve as a basis for further investigation of the mechanisms governing bradyzoite conversion.

Free energy landscape of the Michaelis complex of lactate dehydrogenase: A network analysis of atomistic simulations

NASA Astrophysics Data System (ADS)

Pan, Xiaoliang; Schwartz, Steven

2015-03-01

It has long been recognized that the structure of a protein is a hierarchy of conformations interconverting on multiple time scales. However, the conformational heterogeneity is rarely considered in the context of enzymatic catalysis in which the reactant is usually represented by a single conformation of the enzyme/substrate complex. Lactate dehydrogenase (LDH) catalyzes the interconversion of pyruvate and lactate with concomitant interconversion of two forms of the cofactor nicotinamide adenine dinucleotide (NADH and NAD+). Recent experimental results suggest that multiple substates exist within the Michaelis complex of LDH, and they are catalytic competent at different reaction rates. In this study, millisecond-scale all-atom molecular dynamics simulations were performed on LDH to explore the free energy landscape of the Michaelis complex, and network analysis was used to characterize the distribution of the conformations. Our results provide a detailed view of the kinetic network the Michaelis complex and the structures of the substates at atomistic scale. It also shed some light on understanding the complete picture of the catalytic mechanism of LDH.

Purine metabolism in Toxoplasma gondii

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

Krug, E.C.; Marr, J.J.; Berens, R.L.

1989-06-25

We have studied the incorporation and interconversion of purines into nucleotides by freshly isolated Toxoplasma gondii. They did not synthesize nucleotides from formate, glycine, or serine. The purine bases hypoxanthine, xanthine, guanine, and adenine were incorporated at 9.2, 6.2, 5.1, and 4.3 pmol/10(7) cells/h, respectively. The purine nucleosides adenosine, inosine, guanosine, and xanthosine were incorporated at 110, 9.0, 2.7, and 0.3 pmol/10(7) cells/h, respectively. Guanine, xanthine, and their respective nucleosides labeled only guanine nucleotides. Inosine, hypoxanthine, and adenine labeled both adenine and guanine nucleotide pools at nearly equal ratios. Adenosine kinase was greater than 10-fold more active than the nextmore » most active enzyme in vitro. This is consistent with the metabolic data in vivo. No other nucleoside kinase or phosphotransferase activities were found. Phosphorylase activities were detected for guanosine and inosine; no other cleavage activities were detected. Deaminases were found for adenine and guanine. Phosphoribosyltransferase activities were detected for all four purine nucleobases. Interconversion occurs only in the direction of adenine to guanine nucleotides.« less

Free energy surface of the Michaelis complex of lactate dehydrogenase: a network analysis of microsecond simulations.

PubMed

Pan, Xiaoliang; Schwartz, Steven D

2015-04-30

It has long been recognized that the structure of a protein creates a hierarchy of conformations interconverting on multiple time scales. The conformational heterogeneity of the Michaelis complex is of particular interest in the context of enzymatic catalysis in which the reactant is usually represented by a single conformation of the enzyme/substrate complex. Lactate dehydrogenase (LDH) catalyzes the interconversion of pyruvate and lactate with concomitant interconversion of two forms of the cofactor nicotinamide adenine dinucleotide (NADH and NAD(+)). Recent experimental results suggest that multiple substates exist within the Michaelis complex of LDH, and they show a strong variance in their propensity toward the on-enzyme chemical step. In this study, microsecond-scale all-atom molecular dynamics simulations were performed on LDH to explore the free energy landscape of the Michaelis complex, and network analysis was used to characterize the distribution of the conformations. Our results provide a detailed view of the kinetic network of the Michaelis complex and the structures of the substates at atomistic scales. They also shed light on the complete picture of the catalytic mechanism of LDH.

Reconfigurable exciton-plasmon interconversion for nanophotonic circuits

PubMed Central

Lee, Hyun Seok; Luong, Dinh Hoa; Kim, Min Su; Jin, Youngjo; Kim, Hyun; Yun, Seokjoon; Lee, Young Hee

2016-01-01

The recent challenges for improving the operation speed of nanoelectronics have motivated research on manipulating light in on-chip integrated circuits. Hybrid plasmonic waveguides with low-dimensional semiconductors, including quantum dots and quantum wells, are a promising platform for realizing sub-diffraction limited optical components. Meanwhile, two-dimensional transition metal dichalcogenides (TMDs) have received broad interest in optoelectronics owing to tightly bound excitons at room temperature, strong light-matter and exciton-plasmon interactions, available top-down wafer-scale integration, and band-gap tunability. Here, we demonstrate principal functionalities for on-chip optical communications via reconfigurable exciton-plasmon interconversions in ∼200-nm-diameter Ag-nanowires overlapping onto TMD transistors. By varying device configurations for each operation purpose, three active components for optical communications are realized: field-effect exciton transistors with a channel length of ∼32 μm, field-effect exciton multiplexers transmitting multiple signals through a single NW and electrical detectors of propagating plasmons with a high On/Off ratio of∼190. Our results illustrate the unique merits of two-dimensional semiconductors for constructing reconfigurable device architectures in integrated nanophotonic circuits. PMID:27892463

Dynamics of intramolecular electron transfer reaction of FAD studied by magnetic field effects on transient absorption spectra.

PubMed

Murakami, Masaaki; Maeda, Kiminori; Arai, Tatsuo

2005-07-07

The kinetics of intermediates generated from intramolecular electron-transfer reaction by photo irradiation of the flavin adenine dinucleotide (FAD) molecule was studied by a magnetic field effect (MFE) on transient absorption (TA) spectra. Existence time of MFE and MFE action spectra have a strong dependence on the pH of solutions. The MFE action spectra have indicated the existence of interconversion between the radical pair and the cation form of the triplet excited state of flavin part. All rate constants of the triplet and the radical pair were determined by analysis of the MFE action spectra and decay kinetics of TA. The obtained values for the interconversion indicate that the formation of cation radical promotes the back electron-transfer reaction to the triplet excited state. Further, rate constants of spin relaxation and recombination have been studied by the time profiles of MFE at various pH. The drastic change of those two factors has been obtained and can be explained by SOC (spin-orbit coupling) induced back electron-transfer promoted by the formation of a stacking conformation at pH > 2.5.

Applying the Seven Principles of Good Practice: Technology as a Lever--In an Online Research Course

ERIC Educational Resources Information Center

Johnson, Sherryl

2014-01-01

This article provides an overview of the seven principles of good practice with emphasis on the implementation of technology in an online healthcare research class in a southwest Georgia (United States) university. The seven principles are outlined using various elements of the online course. Historical and philosophical reasoning are applied to…

Novel Coenzyme B12-dependent Interconversion of Isovaleryl-CoA and Pivalyl-CoA*

PubMed Central

Cracan, Valentin; Banerjee, Ruma

2012-01-01

5′-Deoxyadenosylcobalamin (AdoCbl)-dependent isomerases catalyze carbon skeleton rearrangements using radical chemistry. We have recently characterized a fusion protein that comprises the two subunits of the AdoCbl-dependent isobutyryl-CoA mutase flanking a G-protein chaperone and named it isobutyryl-CoA mutase fused (IcmF). IcmF catalyzes the interconversion of isobutyryl-CoA and n-butyryl-CoA, whereas GTPase activity is associated with its G-protein domain. In this study, we report a novel activity associated with IcmF, i.e. the interconversion of isovaleryl-CoA and pivalyl-CoA. Kinetic characterization of IcmF yielded the following values: a Km for isovaleryl-CoA of 62 ± 8 μm and Vmax of 0.021 ± 0.004 μmol min−1 mg−1 at 37 °C. Biochemical experiments show that an IcmF in which the base specificity loop motif NKXD is modified to NKXE catalyzes the hydrolysis of both GTP and ATP. IcmF is susceptible to rapid inactivation during turnover, and GTP conferred modest protection during utilization of isovaleryl-CoA as substrate. Interestingly, there was no protection from inactivation when either isobutyryl-CoA or n-butyryl-CoA was used as substrate. Detailed kinetic analysis indicated that inactivation is associated with loss of the 5′-deoxyadenosine moiety from the active site, precluding reformation of AdoCbl at the end of the turnover cycle. Under aerobic conditions, oxidation of the cob(II)alamin radical in the inactive enzyme results in accumulation of aquacobalamin. Because pivalic acid found in sludge can be used as a carbon source by some bacteria and isovaleryl-CoA is an intermediate in leucine catabolism, our discovery of a new isomerase activity associated with IcmF expands its metabolic potential. PMID:22167181

Three reversible polymorphic copper(I) complexes triggered by ligand conformation: insights into polymorphic crystal habit and luminescent properties.

PubMed

Chai, Wenxiang; Hong, Mingwei; Song, Li; Jia, Guohua; Shi, Hongsheng; Guo, Jiayu; Shu, Kangying; Guo, Bing; Zhang, Yicheng; You, Wenwu; Chen, Xueyuan

2015-05-04

Three luminescent polymorphs based on a new copper(I) complex Cu(2-QBO)(PPh3)PF6 (1, PPh3 = triphenylphosphine, 2-QBO = 2-(2'-quinolyl)benzoxazole) have been synthesized and characterized by FT-IR, UV-vis, elemental analyses, and single-crystal X-ray diffraction analyses. Each polymorph can reversibly convert from one to another through appropriate procedures. Interestingly, such interconversion can be distinguished by their intrinsic crystal morphologies and colors (namely α, dark yellow plate, β, orange block, γ, light yellow needle) as well as photoluminescent (PL) properties. X-ray crystal structure analyses of these three polymorphs show three different supramolecular structures from 1D to 3D, which are expected to be responsible for the formation of three different crystal morphologies such as needle, plate, and block. Combination of the experimental data with DFT calculations on these three polymorphs reveals that the polymorphic interconversion is triggered by the conformation isomerization of the 2-QBO ligand and can be successfully controlled by the polarity of the process solvents (affecting the molecular dipole moment) and thermodynamics (affecting the molecular total energy). It is also found that the different crystal colors of polymorphs and their PL properties are derived from different θ values (dihedral angle between benzoxazolyl and quinolyl group of the 2-QBO ligand) and P-Cu-P angles based on TD-DFT calculations. Moreover, an interesting phase interconversion between γ and β has also been found under different temperature, and this result is consistent with the DFT calculations in which the total energy of β is larger than that of γ. This polymorphism provides a good model to study the relationship between the structure and the physical properties in luminescent copper(I) complexes as well as some profound insights into their PL properties.

Syntheses, structures and properties of four 3D microporous lanthanide coordination polymers based on 3,5-pyrazoledicarboxylate and oxalate ligands

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

Song, Juan; Wang, Ji-Jiang; Hu, Huai-Ming, E-mail: ChemHu1@NWU.EDU.CN

2014-04-01

Four three-dimensional lanthanide coordination polymers with reversible structural interconversions, [Ln{sub 2}(Hpdc){sub 2}(C{sub 2}O{sub 4})(H{sub 2}O){sub 4}]{sub n}·2nH{sub 2}O [Ln=Sm (1), Eu (2), Tb (3) and Dy (4)], have been synthesized by hydrothermal reactions of lanthanide nitrates with 3,5-pyrazoledicarboxylic (H{sub 3}pdc) and oxalic acids. It is noteworthy that there is an in situ reaction in 1, in which H{sub 3}pdc was decomposed into (ox){sup 2−} with Cu(II)–Sm(III) synergistic effect under hydrothermal conditions. These compounds are isostructural and crystallized in the monoclinic P2{sub 1}/c space group. The Ln(III) ions are eight-coordinated with dodecahedron coordination geometry. These polyhedra are linked by oxalate groupsmore » to form 1D zigzag chain, which are further connected by 3,5-pyrazoledicarboxylate to extend similar 3D frameworks with channels along c-axis in 1–4. These coordination polymers display the characteristic emission bands of the Ln(III) ions in the solid state and possess good thermal stabilities. - Graphical abstract: Four 3D microporous lanthanide coordination polymers with reversible structural interconversion have been synthesized. They exhibit characteristic emission bands of the lanthanide ions and possess great thermal stability. - Highlights: • Four lanthanide coordination polymers have been hydrothermal synthesized. • There is an in situ reaction in 1 in which H{sub 3}pdc was decomposed into (ox){sup 2−} with the Cu(II)–Sm(III) synergistic effect under hydrothermal conditions. • TGA and XRD studies reveal that upon hydration–dehydration, compounds 1–4 undergo a reversible structural interconversion process through a cooling-heating cycle. • Compounds 1–4 exhibit characteristic lanthanide-centered luminescence.« less

The principle of superposition and its application in ground-water hydraulics

USGS Publications Warehouse

Reilly, Thomas E.; Franke, O. Lehn; Bennett, Gordon D.

1987-01-01

The principle of superposition, a powerful mathematical technique for analyzing certain types of complex problems in many areas of science and technology, has important applications in ground-water hydraulics and modeling of ground-water systems. The principle of superposition states that problem solutions can be added together to obtain composite solutions. This principle applies to linear systems governed by linear differential equations. This report introduces the principle of superposition as it applies to ground-water hydrology and provides background information, discussion, illustrative problems with solutions, and problems to be solved by the reader.

The principle of superposition and its application in ground-water hydraulics

USGS Publications Warehouse

Reilly, T.E.; Franke, O.L.; Bennett, G.D.

1984-01-01

The principle of superposition, a powerful methematical technique for analyzing certain types of complex problems in many areas of science and technology, has important application in ground-water hydraulics and modeling of ground-water systems. The principle of superposition states that solutions to individual problems can be added together to obtain solutions to complex problems. This principle applies to linear systems governed by linear differential equations. This report introduces the principle of superposition as it applies to groundwater hydrology and provides background information, discussion, illustrative problems with solutions, and problems to be solved by the reader. (USGS)

Tensor-Train Split-Operator Fourier Transform (TT-SOFT) Method: Multidimensional Nonadiabatic Quantum Dynamics.

PubMed

Greene, Samuel M; Batista, Victor S

2017-09-12

We introduce the "tensor-train split-operator Fourier transform" (TT-SOFT) method for simulations of multidimensional nonadiabatic quantum dynamics. TT-SOFT is essentially the grid-based SOFT method implemented in dynamically adaptive tensor-train representations. In the same spirit of all matrix product states, the tensor-train format enables the representation, propagation, and computation of observables of multidimensional wave functions in terms of the grid-based wavepacket tensor components, bypassing the need of actually computing the wave function in its full-rank tensor product grid space. We demonstrate the accuracy and efficiency of the TT-SOFT method as applied to propagation of 24-dimensional wave packets, describing the S 1 /S 2 interconversion dynamics of pyrazine after UV photoexcitation to the S 2 state. Our results show that the TT-SOFT method is a powerful computational approach for simulations of quantum dynamics of polyatomic systems since it avoids the exponential scaling problem of full-rank grid-based representations.

Biocatalytic site- and enantioselective oxidative dearomatization of phenols

NASA Astrophysics Data System (ADS)

Baker Dockrey, Summer A.; Lukowski, April L.; Becker, Marc R.; Narayan, Alison R. H.

2018-02-01

The biocatalytic transformations used by chemists are often restricted to simple functional-group interconversions. In contrast, nature has developed complexity-generating biocatalytic reactions within natural product pathways. These sophisticated catalysts are rarely employed by chemists, because the substrate scope, selectivity and robustness of these catalysts are unknown. Our strategy to bridge the gap between the biosynthesis and synthetic chemistry communities leverages the diversity of catalysts available within natural product pathways. Here we show that, starting from a suite of biosynthetic enzymes, catalysts with complementary substrate scope as well as selectivity can be identified. This strategy has been applied to the oxidative dearomatization of phenols, a chemical transformation that rapidly builds molecular complexity from simple starting materials and cannot be accomplished with high selectivity using existing catalytic methods. Using enzymes from biosynthetic pathways, we have successfully developed a method to produce ortho-quinol products with controlled site- and stereoselectivity. Furthermore, we have capitalized on the scalability and robustness of this method in gram-scale reactions as well as multi-enzyme and chemoenzymatic cascades.

Conformation of repaglinide: A solvent dependent structure

NASA Astrophysics Data System (ADS)

Chashmniam, Saeed; Tafazzoli, Mohsen

2017-09-01

Experimental and theoretical conformational study of repaglinide in chloroform and dimethyl sulfoxide was investigated. By applying potential energy scanning (PES) at B3LYP/6-311++g** and B3LYP-D3/6-311++g** level of theory on rotatable single bonds, four stable conformers (R1-R4) were identified. Spin-spin coupling constant values were obtained from a set of 2D NMR spectra (Hsbnd H COSY, Hsbnd C HMQC and Hsbnd C HMBC) and compared to its calculated values. Interestingly, from 1HNMR and 2D-NOESY NMR, it has been found that repaglinide structure is folded in CDCl3 and cause all single bonds to rotate at an extremely slow rate. On the other hand, in DMSO-d6, with strong solvent-solute intermolecular interactions, the single bonds rotate freely. Also, energy barrier and thermodynamic parameters for chair to chair interconversion was measured (13.04 kcal mol-1) in CDCl3 solvent by using temperature dynamic NMR.

Spaceborne receivers: Basic principles

NASA Technical Reports Server (NTRS)

Stacey, J. M.

1984-01-01

The underlying principles of operation of microwave receivers for space observations of planetary surfaces were examined. The design philosophy of the receiver as it is applied to operate functionally as an efficient receiving system, the principle of operation of the key components of the receiver, and the important differences among receiver types are explained. The operating performance and the sensitivity expectations for both the modulated and total power receiver configurations are outlined. The expressions are derived from first principles and are developed through the important intermediate stages to form practicle and easily applied equations. The transfer of thermodynamic energy from point to point within the receiver is illustrated. The language of microwave receivers is applied statistics.

Bernoulli's Principle

ERIC Educational Resources Information Center

Hewitt, Paul G.

2004-01-01

Some teachers have difficulty understanding Bernoulli's principle particularly when the principle is applied to the aerodynamic lift. Some teachers favor using Newton's laws instead of Bernoulli's principle to explain the physics behind lift. Some also consider Bernoulli's principle too difficult to explain to students and avoid teaching it…

A STUDY OF THE INTERCONVERSION OF METHYLATED ARSENIC OXIDES TO METHYLATED ARSENIC SULFIDES IN SOLUTIONS CONTAINING FREE SULFIDE

EPA Science Inventory

Evidence suggests that thiolated arsenicals are urinary metabolites in both humans and rats. These thiolated species may be formed in the digestive system or as metabolites within the body. The role they may play in the overall toxicity of arsenic is an active area of research....

The Principle-Based Method of Practical Ethics.

PubMed

Spielthenner, Georg

2017-09-01

This paper is about the methodology of doing practical ethics. There is a variety of methods employed in ethics. One of them is the principle-based approach, which has an established place in ethical reasoning. In everyday life, we often judge the rightness and wrongness of actions by their conformity to principles, and the appeal to principles plays a significant role in practical ethics, too. In this paper, I try to provide a better understanding of the nature of principle-based reasoning. To accomplish this, I show in the first section that these principles can be applied to cases in a meaningful and sufficiently precise way. The second section discusses the question how relevant applying principles is to the resolution of ethical issues. This depends on their nature. I argue that the principles under consideration in this paper should be interpreted as presumptive principles and I conclude that although they cannot be expected to bear the weight of definitely resolving ethical problems, these principles can nevertheless play a considerable role in ethical research.

41 CFR 102-76.55 - What sustainable development principles must Federal agencies apply to the siting, design, and...

Code of Federal Regulations, 2011 CFR

2011-01-01

... construction of new facilities, which include— (a) Optimizing site potential; (b) Minimizing non-renewable... development principles must Federal agencies apply to the siting, design, and construction of new facilities... Federal agencies apply to the siting, design, and construction of new facilities? In keeping with the...

41 CFR 102-76.55 - What sustainable development principles must Federal agencies apply to the siting, design, and...

Code of Federal Regulations, 2014 CFR

2014-01-01

... construction of new facilities, which include— (a) Optimizing site potential; (b) Minimizing non-renewable... development principles must Federal agencies apply to the siting, design, and construction of new facilities... Federal agencies apply to the siting, design, and construction of new facilities? In keeping with the...

41 CFR 102-76.55 - What sustainable development principles must Federal agencies apply to the siting, design, and...

Code of Federal Regulations, 2012 CFR

2012-01-01

... construction of new facilities, which include— (a) Optimizing site potential; (b) Minimizing non-renewable... development principles must Federal agencies apply to the siting, design, and construction of new facilities... Federal agencies apply to the siting, design, and construction of new facilities? In keeping with the...

41 CFR 102-76.55 - What sustainable development principles must Federal agencies apply to the siting, design, and...

Code of Federal Regulations, 2013 CFR

2013-07-01

... construction of new facilities, which include— (a) Optimizing site potential; (b) Minimizing non-renewable... development principles must Federal agencies apply to the siting, design, and construction of new facilities... Federal agencies apply to the siting, design, and construction of new facilities? In keeping with the...

Feynman’s clock, a new variational principle, and parallel-in-time quantum dynamics

PubMed Central

McClean, Jarrod R.; Parkhill, John A.; Aspuru-Guzik, Alán

2013-01-01

We introduce a discrete-time variational principle inspired by the quantum clock originally proposed by Feynman and use it to write down quantum evolution as a ground-state eigenvalue problem. The construction allows one to apply ground-state quantum many-body theory to quantum dynamics, extending the reach of many highly developed tools from this fertile research area. Moreover, this formalism naturally leads to an algorithm to parallelize quantum simulation over time. We draw an explicit connection between previously known time-dependent variational principles and the time-embedded variational principle presented. Sample calculations are presented, applying the idea to a hydrogen molecule and the spin degrees of freedom of a model inorganic compound, demonstrating the parallel speedup of our method as well as its flexibility in applying ground-state methodologies. Finally, we take advantage of the unique perspective of this variational principle to examine the error of basis approximations in quantum dynamics. PMID:24062428

A Canadian framework for applying the precautionary principle to public health issues.

PubMed

Weir, Erica; Schabas, Richard; Wilson, Kumanan; Mackie, Chris

2010-01-01

The precautionary principle has influenced environmental and public health policy. It essentially states that complete evidence of a potential risk is not required before action is taken to mitigate the effects of the potential risk. The application of precaution to public health issues is not straightforward and could paradoxically cause harm to the public's health when applied inappropriately. To avoid this, we propose a framework for applying the precautionary principle to potential public health risks. The framework consists of ten guiding questions to help establish whether a proposed application of the precautionary principle on a public health matter is based on adequacy of the evidence of causation, severity of harm and acceptability of the precautionary measures.

A Study in Sexual Health Applying the Principles of Community-Based Participatory Research

PubMed Central

Reece, Michael; Dodge, Brian

2012-01-01

The principles of community-based participatory research were applied to an exploratory sexual health study that examined “cruising for sex” among men on a college campus. In the context of a study seeking a broad interpretation of the health implications of cruising, and when faced with methodological challenges, the researchers found these principles to provide invaluable guidance. A review of the research process is offered and the manner in which the principles of community-based participatory research were operationalized for this study is described. PMID:15129042

Balancing access to participation in research and protection from risks: applying the principle of justice.

PubMed

Kiskaddon, Sarah H

2005-04-01

The problem for Institutional Review Boards (IRBs) of balancing access to participation in research with protection of research subjects has always been a difficult one. IRBs, charged with applying the "Common Rule," as well as the Belmont Principles, in their review of clinical research, are given little guidance on approaching this problem. This article argues that the third Belmont Principle, the Justice Principle, may provide a useful framework for considering this balance. The changing research environment is discussed in an historical context, and the Justice Principle is considered both in the context of individual rights, as well as the potential benefit to classes of people. The author further suggests that application of the Justice Principle be driven by findings derived from an analysis of the first 2 principles. This feedback model will enable a more formal application of the Justice Principle and less ambiguous, more transparent, decisions regarding the equitable selection of subjects. The author calls for more systematic attention to the Justice Principle by IRBs, and proposes a model that includes incorporating the deliberation of the other Belmont Principles into the Justice Principle.

Grand Challenges for Disaster Reduction

DTIC Science & Technology

2005-06-01

6—Promote risk-wise behavior. Develop and apply principles of economics and human behavior to enhance communications, trust, and understand- ing...Challenges for Disaster Reduction Promote Risk-Wise Behavior. Develop and apply principles of economics and human behavior to enhance communications

Applied Behavior Analysis in Flying Training Research. Interim Report for Period June 1978-August 1978.

ERIC Educational Resources Information Center

Bailey, Jon S.; Hughes, Ronald G.

Research developments in learning theory over the past fifty years have led to principles of behavior which have been shown in innumerable applied settings to be valuable in analyzing and modifying human behavior. When applied to flying training using simulators, these principles suggest that a significant contribution could be made in improving…

Time-dependent compressibility of poly (methyl methacrylate) (PMMA) : an experimental and molecular dynamics investigation

NASA Astrophysics Data System (ADS)

Sane, Sandeep Bhalchandra

This thesis contains three chapters, which describe different aspects of an investigation of the bulk response of Poly(Methyl Methacrylate) (PMMA). The first chapter describes the physical measurements by means of a Belcher/McKinney-type apparatus. Used earlier for the measurement of the bulk response of Poly(Vinyl Acetate), it was now adapted for making measurements at higher temperatures commensurate with the glass transition temperature of PMMA. The dynamic bulk compliance of PMMA was measured at atmospheric pressure over a wide range of temperatures and frequencies, from which the master curves for the bulk compliance were generated by means of the time-temperature superposition principle. It was found that the extent of the transition ranges for the bulk and shear response were comparable. Comparison of the shift factors for bulk and shear responses supports the idea that different molecular mechanisms contribute to shear and bulk deformations. The second chapter delineates molecular dynamics computations for the bulk response for a range of pressures and temperatures. The model(s) consisted of 2256 atoms formed into three polymer chains with fifty monomer units per chain per unit cell. The time scales accessed were limited to tens of pico seconds. It was found that, in addition to the typical energy minimization and temperature annealing cycles for establishing equilibrium models, it is advantageous to subject the model samples to a cycle of relatively large pressures (GPa-range) for improving the equilibrium state. On comparing the computations with the experimentally determined "glassy" behavior, one finds that, although the computations were limited to small samples in a physical sense, the primary limitation rests in the very short times (pico seconds). The molecular dynamics computations do not model the physically observed temperature sensitivity of PMMA, even if one employs a hypothetical time-temperature shift to account for the large difference in time scales between experiment and computation. The values computed by the molecular dynamics method do agree with the values measured at the coldest temperature and at the highest frequency of one kiloHertz. The third chapter draws on measurements of uniaxial, shear and Poisson response conducted previously in our laboratory. With the availability of four time or frequency-dependent material functions for the same material, the process of interconversion between different material functions was investigated. Computed material functions were evaluated against the direct experimental measurements and the limitations imposed on successful interconversion due to the experimental errors in the underlying physical data were explored. Differences were observed that are larger than the experimental errors would suggest.

[Theoretical risk management and legitimacy of the precautionary principle in medicine. Look back at HIV contamination through blood transfusion in France, twenty years ago].

PubMed

Moutel, G; Hergon, E; Duchange, N; Bellier, L; Rouger, P; Hervé, C

2005-02-01

The precautionary principle first appeared in France during the health crisis following the contamination of patients with HIV via blood transfusion. This study analyses whether the risk associated with blood transfusion was taken into account early enough considering the context of scientific uncertainty between 1982 and 1985. The aim was to evaluate whether a precautionary principle was applied and whether it was relevant. First, we investigated the context of scientific uncertainty and controversies prevailing between 1982 and 1985. Then we analysed the attitude and decisions of the French authorities in this situation to determine whether a principle of precaution was applied. Finally, we explored the reasons at the origin of the delay in controlling the risk. Despite the scientific uncertainties associated with the potential risk of HIV contamination by transfusion in 1983, we found that a list of recommendations aiming to reduce this risk was published in June of that year. In the prevailing climate of uncertainty, these measures could be seen as precautionary. However, the recommended measures were not widely applied. Cultural, structural and economic factors hindered their implementation. Our analysis provides insight into the use of precautionary principle in the domain of blood transfusion and, more generally, medicine. It also sheds light on the expectations that health professionals should have of this principle. The aim of the precautionary principle is to manage rather than to reduce scientific uncertainty. The principle is not a futile search for zero risk. Rather, it is a principle for action allowing precautionary measures to be taken. However, we show that these measures must appear legitimate to be applied. This legitimacy requires an adapted decision-making process, involving all those concerned in the management of collective risks.

Complementarity and Compensation: Bridging the Gap between Writing and Design.

ERIC Educational Resources Information Center

Killingsworth, M. Jimmie; Sanders, Scott P.

1990-01-01

Outlines two rhetorical principles for producing iconic-mosaic texts--the principle of complementarity and the principle of compensation. Shows how these principles can be applied to practical problems in coordinating the writing and design processes in student projects. (RS)

Designing the Electronic Classroom: Applying Learning Theory and Ergonomic Design Principles.

ERIC Educational Resources Information Center

Emmons, Mark; Wilkinson, Frances C.

2001-01-01

Applies learning theory and ergonomic principles to the design of effective learning environments for library instruction. Discusses features of electronic classroom ergonomics, including the ergonomics of physical space, environmental factors, and workstations; and includes classroom layouts. (Author/LRW)

The Case Method for Teaching College Economics

ERIC Educational Resources Information Center

Griffith, John R., Jr.

1971-01-01

The author explains the use of the case method of applying the principles of economics to current economic policy issues. This approach allows the classroom economics teacher to teach the student how to apply economic principles to real life problems. (Author)

Structural modeling and docking studies of ribose 5-phosphate isomerase from Leishmania major and Homo sapiens: a comparative analysis for Leishmaniasis treatment.

PubMed

Capriles, Priscila V S Z; Baptista, Luiz Phillippe R; Guedes, Isabella A; Guimarães, Ana Carolina R; Custódio, Fabio L; Alves-Ferreira, Marcelo; Dardenne, Laurent E

2015-02-01

Leishmaniases are caused by protozoa of the genus Leishmania and are considered the second-highest cause of death worldwide by parasitic infection. The drugs available for treatment in humans are becoming ineffective mainly due to parasite resistance; therefore, it is extremely important to develop a new chemotherapy against these parasites. A crucial aspect of drug design development is the identification and characterization of novel molecular targets. In this work, through an in silico comparative analysis between the genomes of Leishmania major and Homo sapiens, the enzyme ribose 5-phosphate isomerase (R5PI) was indicated as a promising molecular target. R5PI is an important enzyme that acts in the pentose phosphate pathway and catalyzes the interconversion of d-ribose-5-phosphate (R5P) and d-ribulose-5-phosphate (5RP). R5PI activity is found in two analogous groups of enzymes called RpiA (found in H. sapiens) and RpiB (found in L. major). Here, we present the first report of the three-dimensional (3D) structures and active sites of RpiB from L. major (LmRpiB) and RpiA from H. sapiens (HsRpiA). Three-dimensional models were constructed by applying a hybrid methodology that combines comparative and ab initio modeling techniques, and the active site was characterized based on docking studies of the substrates R5P (furanose and ring-opened forms) and 5RP. Our comparative analyses show that these proteins are structural analogs and that distinct residues participate in the interconversion of R5P and 5RP. We propose two distinct reaction mechanisms for the reversible isomerization of R5P to 5RP, which is catalyzed by LmRpiB and HsRpiA. We expect that the present results will be important in guiding future molecular modeling studies to develop new drugs that are specially designed to inhibit the parasitic form of the enzyme without significant effects on the human analog. Copyright © 2014 Elsevier Inc. All rights reserved.

76 FR 44400 - Submission for OMB Review; Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2011-07-25

... principles of social marketing. Social marketing principles and practices apply marketing principles to... Card Marketing Customer Survey. Abstract: The purpose of the social marketing prepaid card initiative...

Ethical principles in federal regulations: the case of children and research risks.

PubMed

Williams, P C

1996-04-01

Ethical principles play an important part not only in the promulgation of regulations but also in their application, i.e., enforcement and adjudication. while traditional ethical principles--promotion of welfare, freedom, and fairness--play an important role in both elements of regulation, some other kinds of ethical principles are significant as well. Principles governing the structure of decision processes should shape the structure and actions of agencies; principles of wise application should govern the work of those whose responsibility it is to apply regulatory language to particular situations. These points are demonstrated by investigating a case study: federal regulations designed to protect children involved in scientific research applied to a placebo study of the effects of recombinant human growth hormone on children of extremely short stature.

A growth inhibitory model with SOx influenced effective growth rate for estimation of algal biomass concentration under flue gas atmosphere

USDA-ARS?s Scientific Manuscript database

A theoretical model for the prediction of biomass concentration under real flue gas emission has been developed. The model considers the CO2 mass transfer rate, the critical SOx concentration and its role on pH based inter-conversion of bicarbonate in model building. The calibration and subsequent v...

Removal of Zinc Form Carbonic Anhydrase: A Kinetics Experiment for Upper-Level Chemistry Laboratories

ERIC Educational Resources Information Center

Williams, Kathryn R.; Adhyaru, Bhavin

2004-01-01

An experiment on kinetics of deactivation of carbonic anhydrase by removal of zinc is demonstrated. Carbonic anhydrase, the enzyme that catalyzes the interconversion of carbon dioxide and bicarbonate, requires on Zn(II) ion in its active site, and removal of the zinc cofactor by complexion to another ligand leaves the apoenzyme, which is totally…

Regulations and roles for alternative pathways of hexose metabolism in plants

Treesearch

Clanton C. Black; Laszlo Mustardy; S.S. Sung; P.P. Kormanik; D.-P. Xu; Nachman Paz

1987-01-01

Plants have two cytoplasmic pathways of glycolysis and gluconeogenesis for the reversible interconversion of fructose 6-phosphate (F-6-P) and fructose 1,6-bisphosphate (F-1,6,-P2). One pathway is described as a maintenance pathway that is catalyzed by a nucleotide triphosphate-dependent phosphofructokinase (EC 2.7.1.11; ATP-PFK) glycolytically and a F-1,6...

Children's reasoning about physics within and across ontological kinds.

PubMed

Heyman, Gail D; Phillips, Ann T; Gelman, Susan A

2003-08-01

Reasoning about seven physics principles within and across ontological kinds was examined among 188 5- and 7-year-olds and 59 adults. Individuals in all age groups tended to appropriately generalize what they learned across ontological kinds. However, children also showed sensitivity to ontological kind in their projections: when learning principles with reference to people they were more likely to assume that the principles apply to another person than to an inanimate object, and when learning with reference to an inanimate object they were more likely to assume that the principles apply to another inanimate object than to a person. Five-year-olds, but not 7-year-olds, projected concepts learned about people to a greater extent than principles learned about inanimate objects, closely paralleling the findings of Carey for the biological domain (Carey, S. (1985). Conceptual change in childhood. Cambridge, MA: MIT Press). Results from a separate sample of 22 5-year-olds suggest that the primary findings cannot be explained by response perseveration. The present findings indicate that children understand physics principles that apply to both animate and inanimate objects, but distinguish between these ontological kinds.

Extended Producer Responsibility and Product Stewardship for Tobacco Product Waste

PubMed Central

Curtis, Clifton; Collins, Susan; Cunningham, Shea; Stigler, Paula; Novotny, Thomas E

2015-01-01

This paper reviews several environmental principles, including Extended Producer Responsibility (EPR), Product Stewardship (PS), the Polluter Pays Principle (PPP), and the Precautionary Principle, as they may apply to tobacco product waste (TPW). The review addresses specific criteria that apply in deciding whether a particular toxic product should adhere to these principles; presents three case studies of similar approaches to other toxic and/or environmentally harmful products; and describes 10 possible interventions or policy actions that may help prevent, reduce, and mitigate the effects of TPW. EPR promotes total lifecycle environmental improvements, placing economic, physical, and informational responsibilities onto the tobacco industry, while PS complements EPR, but with responsibility shared by all parties involved in the tobacco product lifecycle. Both principles focus on toxic source reduction, post-consumer take-back, and final disposal of consumer products. These principles when applied to TPW have the potential to substantially decrease the environmental and public health harms of cigarette butts and other TPW throughout the world. TPW is the most commonly littered item picked up during environmental, urban, and coastal cleanups globally. PMID:26457262

Structure and dynamics of [3.3]paracyclophane as studied by nuclear magnetic resonance and density functional theory calculations.

PubMed

Dodziuk, Helena; Szymański, Sławomir; Jaźwiński, Jarosław; Marchwiany, Maciej E; Hopf, Henning

2010-09-30

Strained cyclophanes with small (-CH(2)-)(n) bridges connecting two benzene rings are interesting objects of basic research, mostly because of the nonplanarity of the rings and of interference of π-electrons of the latter. For title [3.3]paracyclophane, in solutions occurring in two interconverting cis and trans conformers, the published nuclear magnetic resonance (NMR) data are incomplete and involve its partially deuterated isotopomers. In this paper, variable-temperature NMR studies of its perprotio isotopomer combined with DFT quantum chemical calculations provide a complete characterization of the solution structure, NMR parameters, and interconversion of the cis and trans isomers of the title compound. Using advanced methods of spectral analysis, total quantitative interpretation of its proton NMR spectra in both the static and dynamic regimes is conducted. In particular, not only the geminal but also all of the vicinal J(HH) values for the bridge protons are determined, and for the first time, complete Arrhenius data for the interconversion process are reported. The experimental proton and carbon chemical shifts and the (n)J(HH), (1)J(CH), and (1)J(CC) coupling constants are satisfactorily reproduced theoretically by the values obtained from the density functional theory calculations.

Tautomerism and thermal decomposition of tetrazole: high-level ab initio study.

PubMed

Kiselev, Vitaly G; Cheblakov, Pavel B; Gritsan, Nina P

2011-03-10

The mutual interconversion and decomposition reactions of four tetrazole isomers (1H-TZ, 2H-TZ, 5H-TZ, and an N-heterocyclic carbene 14H) have been studied theoretically using the W1 high-level procedure. Computations allowed resolution of the existing discrepancies in the mechanism and key intermediates of TZ thermolysis. The tautomeric equilibria between 1H-TZ, 2H-TZ, and 14H turned out to play a very important role in the mechanism of thermal decomposition. Although the barriers of monomolecular tautomeric transformations were found to be high (∼50-70 kcal/mol), the concerted double H atom transfer reactions in the H-bonded complexes of TZ tautomers have profoundly lower barriers (∼18-28 kcal/mol). These reactions lead to fast interconversion between 1H-TZ, 2H-TZ, and 14H. The carbene 14H has never been considered before; however, it was predicted to be a key intermediate in the mechanism of thermal decomposition of TZ. For all species considered, the unimolecular reactions of N(2) elimination were predicted to dominate over the elimination of hydrazoic acid. In agreement with existing experimental data, the effective activation energy of thermolysis was calculated to be 36.2 kcal/mol.

Chromatographic behavior of zwitterionic enalapril-exploring the conditions for lipophilicity assessment.

PubMed

Gikas, Spyros; Tsopelas, Fotios; Giaginis, Costas; Dimitrakopoulos, John; Livadara, Theodora; Archontaki, Helen; Tsantili-Kakoulidou, Anna

2008-11-04

The chromatographic behavior of enalapril was investigated under different stationary and mobile phase conditions in an effort to unravel interferences in the underlying retention mechanism, which would affect its relation to octanol-water partitioning. Extrapolated retention factors, logk(w), were used as relevant chromatographic indices. The retention/pH profile was established and the peak split phenomenon, associated with cis/trans interconversion, was also monitored as a function of pH. The pH at maximum retention and minimum peak split occurrence was chosen for further investigation, so that the presence of zwitterionic structure was guaranteed and any effect of cis/trans interconversion could be ignored. Retention of zwitterionic enalapril was found to be very sensitive to mobile phase conditions in regard to organic modifier as well to the aqueous component. The use of morpholine-propanesulfonic acid (MOPS) as buffer and the presence of n-octanol as mobile phase additive proved critical factors for maximum suppression of secondary interactions. Nevertheless, the corresponding extrapolated retention factor was considerably larger than octanol-water logD value at the isoelectric point. However, logk(w) could be successfully converted to logD by means of a calibration equation established for ionized acidic compounds.

Application of cinchona-sulfonate-based chiral zwitterionic ion exchangers for the separation of proline-containing dipeptide rotamers and determination of on-column isomerization parameters from dynamic elution profiles.

PubMed

Wernisch, Stefanie; Trapp, Oliver; Lindner, Wolfgang

2013-09-17

The interconversion of cis and trans isomers of dipeptides containing C-terminal proline was studied by dynamic chromatography on zwitterionic chiral stationary phases at temperatures ranging from -15°C to +45°C The cis-trans isomers could be separated below 0°C and above 0-10°C plateau formation and peak coalescence phenomena occurred, which is characteristic for a dynamic process at the time-scale of partitioning. At and above room temperature, full coalescence was observed, which allowed separations of enantiomers without interference from interconversion effects. Analysis of the dynamic elution profiles of the interconverting peptides allowed the determination of isomerization rate constants and thermodynamic activation parameters (isomerization enthalpy, entropy and activation energy). In accordance with established results, isomerization rates and thermodynamic parameters were found to depend on the nature of the N-terminal amino acid. Isomerization barriers were only slightly lower than values determined with other methods but significant differences in the relative contributions of the activation enthalpy and entropy as well as isomerization rates pointed toward selector-moderated isomerization dynamics. Copyright © 2013 Elsevier B.V. All rights reserved.

Decoding the spectroscopic features and time scales of aqueous proton defects

NASA Astrophysics Data System (ADS)

Napoli, Joseph A.; Marsalek, Ondrej; Markland, Thomas E.

2018-06-01

Acid solutions exhibit a variety of complex structural and dynamical features arising from the presence of multiple interacting reactive proton defects and counterions. However, disentangling the transient structural motifs of proton defects in the water hydrogen bond network and the mechanisms for their interconversion remains a formidable challenge. Here, we use simulations treating the quantum nature of both the electrons and nuclei to show how the experimentally observed spectroscopic features and relaxation time scales can be elucidated using a physically transparent coordinate that encodes the overall asymmetry of the solvation environment of the proton defect. We demonstrate that this coordinate can be used both to discriminate the extremities of the features observed in the linear vibrational spectrum and to explain the molecular motions that give rise to the interconversion time scales observed in recent nonlinear experiments. This analysis provides a unified condensed-phase picture of the proton structure and dynamics that, at its extrema, encompasses proton sharing and spectroscopic features resembling the limiting Eigen [H3O(H2O)3]+ and Zundel [H(H2O)2]+ gas-phase structures, while also describing the rich variety of interconverting environments in the liquid phase.

Total Quality Management in Higher Education: Applying Deming's Fourteen Points.

ERIC Educational Resources Information Center

Masters, Robert J.; Leiker, Linda

1992-01-01

This article presents guidelines to aid administrators of institutions of higher education in applying the 14 principles of Total Quality Management. The principles stress understanding process improvements, handling variation, fostering prediction, and using psychology to capitalize on human resources. (DB)

Applying smart growth principles and strategies to resolving land use conflicts around airports.

DOT National Transportation Integrated Search

2008-09-01

This report presents the findings and conclusions from a research project to explore how the principles and : strategies of smart growth can be applied to resolving land use conflicts around airports. The study entailed a : literature review, intervi...

Harm reduction principles for healthcare settings.

PubMed

Hawk, Mary; Coulter, Robert W S; Egan, James E; Fisk, Stuart; Reuel Friedman, M; Tula, Monique; Kinsky, Suzanne

2017-10-24

Harm reduction refers to interventions aimed at reducing the negative effects of health behaviors without necessarily extinguishing the problematic health behaviors completely. The vast majority of the harm reduction literature focuses on the harms of drug use and on specific harm reduction strategies, such as syringe exchange, rather than on the harm reduction philosophy as a whole. Given that a harm reduction approach can address other risk behaviors that often occur alongside drug use and that harm reduction principles have been applied to harms such as sex work, eating disorders, and tobacco use, a natural evolution of the harm reduction philosophy is to extend it to other health risk behaviors and to a broader healthcare audience. Building on the extant literature, we used data from in-depth qualitative interviews with 23 patients and 17 staff members from an HIV clinic in the USA to describe harm reduction principles for use in healthcare settings. We defined six principles of harm reduction and generalized them for use in healthcare settings with patients beyond those who use illicit substances. The principles include humanism, pragmatism, individualism, autonomy, incrementalism, and accountability without termination. For each of these principles, we present a definition, a description of how healthcare providers can deliver interventions informed by the principle, and examples of how each principle may be applied in the healthcare setting. This paper is one of the firsts to provide a comprehensive set of principles for universal harm reduction as a conceptual approach for healthcare provision. Applying harm reduction principles in healthcare settings may improve clinical care outcomes given that the quality of the provider-patient relationship is known to impact health outcomes and treatment adherence. Harm reduction can be a universal precaution applied to all individuals regardless of their disclosure of negative health behaviors, given that health behaviors are not binary or linear but operate along a continuum based on a variety of individual and social determinants.

Photoactivated processes in optical fibers: generation and conversion mechanisms of twofold coordinated Si and Ge atoms

NASA Astrophysics Data System (ADS)

Giacomazzi, Luigi; Martin-Samos, L.; Boukenter, A.; Ouerdane, Y.; Girard, S.; Alessi, A.; de Gironcoli, S.; Richard, N.

2017-05-01

In this work we present an extensive investigation of nanoscale physical phenomena related to oxygen-deficient centers (ODCs) in silica and Ge-doped silica by means of first-principles calculations, including nudged-elastic band, electron paramagnetic resonance parameters calculations, and many-body perturbation theory (GW and Bethe-Salpeter equation) techniques. We show that by neutralizing positively charged oxygen monovacancies we can obtain model structures of twofold Si and Ge defects of which the calculated absorption spectra and singlet-to-triplet transitions are in excellent agreement with the experimental optical absorption and photo-luminescence data. In particular we provide an exhaustive analysis of the main exciton peaks related to the presence of twofold defects including long-range correlation effects. By calculating the reaction pathways and energy barriers necessary for the interconversion, we advance a double precursory origin of the {E}α \\prime and Ge(2) centers as due to the ionization of neutral oxygen monovacancies (Si-Si and Ge-Si dimers) and as due to the ionization of twofold Si and Ge defects. Furthermore two distinct structural conversion mechanisms are found to occur between the neutral oxygen monovacancy and the twofold Si (and Ge) atom configurations. Such conversion mechanisms allow to explain the radiation induced generation of the ODC(II) centers, their photobleaching, and also their generation during the drawing of optical fibers.

Universal Design for Online Courses: Applying Principles to Pedagogy

ERIC Educational Resources Information Center

Rao, Kavita; Edelen-Smith, Patricia; Wailehua, Cat-Uyen

2015-01-01

Universal design (UD) educational frameworks provide useful guidelines for designing accessible learning environments with the intention of supporting students with and without disabilities. This article describes how one university instructor defined and applied the principles of Universal Instructional Design (UID) to pedagogy, while designing…

19 CFR 10.824 - Verification and justification of claim for preferential treatment.

Code of Federal Regulations, 2010 CFR

2010-04-01

... accounting principles. When conducting a verification of origin to which Generally Accepted Accounting Principles may be relevant, CBP will apply and accept the Generally Accepted Accounting Principles applicable...

19 CFR 10.784 - Verification and justification of claim for preferential treatment.

Code of Federal Regulations, 2010 CFR

2010-04-01

... accounting principles. When conducting a verification of origin to which Generally Accepted Accounting Principles may be relevant, CBP will apply and accept the Generally Accepted Accounting Principles applicable...

Remembering Zoltan Dienes, a Maverick of Mathematics Teaching and Learning: Applying the Variability Principles to Teach Algebra

ERIC Educational Resources Information Center

Gningue, Serigne Mbaye

2016-01-01

This paper is written in honor of Zoltan Paul Dienes, an internationally renowned mathematician and educator, who passed away in January 2014. It is an attempt to describe, analyze and apply Dienes' theory on how mathematical structures can be taught by applying his four principles of learning upon which he believed a teacher can base concept…

Solving Homeland Security’s Wicked Problems: A Design Thinking Approach

DTIC Science & Technology

2015-09-01

spur solutions. This thesis provides a framework for how S&T can incorporate design- thinking principles that are working well in other domains to...to spur solutions. This thesis provides a framework for how S&T can incorporate design-thinking principles that are working well in other domains to...Galbraith’s Star Model was used to analyze how DHS S&T, MindLab, and DARPA apply design-thinking principles to inform the framework to apply and

Visual-Spatial Thinking in Hypertexts.

ERIC Educational Resources Information Center

Johnson-Sheehan, Richard; Baehr, Craig

2001-01-01

Explores what it means to think visually and spatially in hypertexts and how users react and maneuver in real and virtual three-dimensional spaces. Offers four principles of visual thinking that can be applied when developing hypertexts. Applies these principles to actual hypertexts, demonstrating how selectivity, fixation, depth discernment, and…

42 CFR 405.817 - Principles for determining amount in controversy.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 42 Public Health 2 2010-10-01 2010-10-01 false Principles for determining amount in controversy... the Medicare Part B Program § 405.817 Principles for determining amount in controversy. (a) Individual... may assert that the aggregation principles contained in this subpart may be applied to determine the...

16 CFR 260.6 - General principles.

Code of Federal Regulations, 2010 CFR

2010-01-01

... ENVIRONMENTAL MARKETING CLAIMS § 260.6 General principles. The following general principles apply to all environmental marketing claims, including, but not limited to, those described in § 260.7. In addition, § 260.7... 16 Commercial Practices 1 2010-01-01 2010-01-01 false General principles. 260.6 Section 260.6...

The "Fundamental Pedogagical Principle" in Second Language Teaching.

ERIC Educational Resources Information Center

Krashen, Stephen D.

1981-01-01

A fundamental principle of second language acquisition is stated and applied to language teaching. The principle states that learners acquire a second language when they receive comprehensible input in situations where their affective filters are sufficiently low. The theoretical background of this principle consists of five hypotheses: the…

Ornithine: at the crossroads of multiple paths to amino acids and polyamines

Treesearch

Rajtilak Majumdar; Rakesh Minocha; Subhash Minocha

2015-01-01

After the 20 amino acids that make up the proteins in all living organisms, ornithine perhaps occupies the most critical position among the non-protein amino acids. It sits at the crossroads of interconversions of glutamate and arginine on the one hand and the production of proline, polyamines and several alkaloids on the other: all products of tremendous importance to...

Recent advances in biotechnological applications of alcohol dehydrogenases.

PubMed

Zheng, Yu-Guo; Yin, Huan-Huan; Yu, Dao-Fu; Chen, Xiang; Tang, Xiao-Ling; Zhang, Xiao-Jian; Xue, Ya-Ping; Wang, Ya-Jun; Liu, Zhi-Qiang

2017-02-01

Alcohol dehydrogenases (ADHs), which belong to the oxidoreductase superfamily, catalyze the interconversion between alcohols and aldehydes or ketones with high stereoselectivity under mild conditions. ADHs are widely employed as biocatalysts for the dynamic kinetic resolution of racemic substrates and for the preparation of enantiomerically pure chemicals. This review provides an overview of biotechnological applications for ADHs in the production of chiral pharmaceuticals and fine chemicals.

Special feature of kinetics of ZcE isomerization of β-N-methylaminovinyl trifluoromethyl ketone in Ar matrix exposed to UV radiation and spontaneous E⇌Z isomerization of α-methyl-β-N-methylaminovinyl trifluoromethyl ketone.

PubMed

Vdovenko, Sergey I; Gerus, Igor I; Pagacz-Kostrzewa, Magdalena; Wierzejewska, Maria; Zhuk, Yuri I; Kukhar, Valery P

2018-06-15

Although it is well known that reactivity of α,β-unsaturated enaminoketones is closely associated with spatial and electronic structure but until now little attention was devoted to quantitative investigation of interconversion of different stereoisomeric forms of enaminoketones. In present work we studied peculiarities of kinetics of Z⇌E isomerization of enaminoketone 4-(N-methylamino)-1,1,1-trifluorobut-3-en-2-one F 3 C-COCHCHNH(CH 3 ) (1) in Ar-matrix exposed to UV-radiation (λ=340nm) with IR Fourier and 2D correlation spectroscopy and we found that Z-s-Z-s-trans isomer transforms primarily into two E-isomers, E-s-E-s-trans and E-s-Z-s-trans which further turn into the E-s-E-s-cis and E-s-Z-s-cis conformers all interconversion rate constants being comparable in magnitude. Along with this process long-term exposure to the UV-radiation results in proton transfer from nitrogen of methylamino group to carbonyl oxygen with simultaneous isomerization of 'cyclic' iminoenol form into 'linear'one. In solution of enaminoketone 4-(N-methylamino)-1,1,1-trifluoro-3-methylbut-3-en-2-one F 3 C-CO-C(CH 3 )CH-NH(CH 3 ) (2) we observed reversed process, namely, spontaneous interconversion of the E-s-E-s-trans and E-s-Z-s-trans conformers into the Z-s-Z-trans isomer. It was found that rate constants of the dimeric forms of the E-s-E-s-trans and E-s-Z-s-trans conformers are higher than those of the monomers and are independent on total enaminoketone concentration. Addition of highly polar HMPA promotes proton transfer from nitrogen to oxygen in the Z-s-Z-s-trans isomer of 2 with subsequent isomerization into the linear imino-enol product but the rate constant of this transformation is ten-fold smaller than that for 1 in the Ar matrix exposed to UV radiation. Copyright © 2018 Elsevier B.V. All rights reserved.

Applied oceanography

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

Bishop, J.M.

This book combines oceanography principles and applications such as marine pollution, resources, and transportation. It is divided into two main parts treating the basic principles of physical oceanography, and presenting a unique systems framework showing how physical oceanography, marine ecology, economics, and government policy may be combined to define the newly developing field of applied oceanography.

Marketing Principles as Applied to the Corporate Information Center.

ERIC Educational Resources Information Center

Brown, Suzan A.

Marketing principles, as applied by major businesses around the world, can also be used by information professionals to grow and expand their presence within their own organization. This paper focuses on parallels between marketing in the industrial/research arena, and the needs of information professionals to expand business from existing…

Applying APA's Learner-Centered Principles to School-Based Group Counseling.

ERIC Educational Resources Information Center

Stroh, Heather R.; Sink, Christopher A.

2002-01-01

This article introduces the American Psychological Association's learner-centered principles and provides a brief rationale for infusing them into comprehensive guidance and counseling programs. Using small group counseling as an illustration, explains how counselors can apply a learner-centered approach to their work. (Contains 43 references.)…

Applying Learning Principles and Theories to Vocational Education.

ERIC Educational Resources Information Center

Loomis, Linda Jacobsen; Prickett, Charlotte

This monograph is intended for use by vocational teachers, state supervisors, administrators, and curriculum developers as a resource guide in the development of sound curriculum for vocational programs in Arizona. It examines learning theories and principles and, where applicable, applies these ideas to vocational education. Chapter 1 introduces…

Lamp control using the principles of mathematical logic

NASA Astrophysics Data System (ADS)

Yudianto, E.; Firmansyah, F. F.; Akbar, P. S. B. S.; Nisyak, R.; Maudi, F. A.; Saputri, A. N.

2018-03-01

Along with the rapid development of technology, there are so many innovations on tools that can facilitate human’s work, one of which is a remote lamp controller. This light controller can provide convenience and comfort for people in turning on or off lights, especially they are traveling. The way remote light controller is used applies the principle of mathematical logic, particularly biimplication. The principle of mathematical logic (biimplication) on this light controller is applied to GSM module (gprs) and SMS.

Mixed variational formulations of finite element analysis of elastoacoustic/slosh fluid-structure interaction

NASA Technical Reports Server (NTRS)

Felippa, Carlos A.; Ohayon, Roger

1991-01-01

A general three-field variational principle is obtained for the motion of an acoustic fluid enclosed in a rigid or flexible container by the method of canonical decomposition applied to a modified form of the wave equation in the displacement potential. The general principle is specialized to a mixed two-field principle that contains the fluid displacement potential and pressure as independent fields. This principle contains a free parameter alpha. Semidiscrete finite-element equations of motion based on this principle are displayed and applied to the transient response and free-vibrations of the coupled fluid-structure problem. It is shown that a particular setting of alpha yields a rich set of formulations that can be customized to fit physical and computational requirements. The variational principle is then extended to handle slosh motions in a uniform gravity field, and used to derive semidiscrete equations of motion that account for such effects.

Good modeling practice guidelines for applying multimedia models in chemical assessments.

PubMed

Buser, Andreas M; MacLeod, Matthew; Scheringer, Martin; Mackay, Don; Bonnell, Mark; Russell, Mark H; DePinto, Joseph V; Hungerbühler, Konrad

2012-10-01

Multimedia mass balance models of chemical fate in the environment have been used for over 3 decades in a regulatory context to assist decision making. As these models become more comprehensive, reliable, and accepted, there is a need to recognize and adopt principles of Good Modeling Practice (GMP) to ensure that multimedia models are applied with transparency and adherence to accepted scientific principles. We propose and discuss 6 principles of GMP for applying existing multimedia models in a decision-making context, namely 1) specification of the goals of the model assessment, 2) specification of the model used, 3) specification of the input data, 4) specification of the output data, 5) conduct of a sensitivity and possibly also uncertainty analysis, and finally 6) specification of the limitations and limits of applicability of the analysis. These principles are justified and discussed with a view to enhancing the transparency and quality of model-based assessments. Copyright © 2012 SETAC.

Novel biocatalytic systems for maintaining the nucleotide balance based on adenylate kinase immobilized on carbon nanostructures.

PubMed

Hetmann, Anna; Wujak, Magdalena; Bolibok, Paulina; Zięba, Wojciech; Wiśniewski, Marek; Roszek, Katarzyna

2018-07-01

In this study graphene oxide (GO), carbon quantum dots (CQD) and carbon nanoonions (CNO) have been characterized and applied for the first time as a matrix for recombinant adenylate kinase (AK, EC 2.7.4.3) immobilization. AK is an enzyme fulfilling a key role in metabolic processes. This phosphotransferase catalyzes the interconversion of adenine nucleotides (ATP, ADP and AMP) and thereby participates in nucleotide homeostasis, monitors a cellular energy charge as well as acts as a component of purinergic signaling system. The AK activity in all obtained biocatalytic systems was higher as compared to the free enzyme. We have found that the immobilization on carbon nanostructures increased both activity and stability of AK. Moreover, the biocatalytic systems consisting of AK immobilized on carbon nanostructures can be easily and efficiently lyophilized without risk of desorption or decrease in the catalytic activity of the investigated enzyme. The positive action of AK-GO biocatalytic system in maintaining the nucleotide balance in in vitro cell culture was proved. Copyright © 2018 Elsevier B.V. All rights reserved.

Free energy of conformational transition paths in biomolecules: The string method and its application to myosin VI

PubMed Central

Ovchinnikov, Victor; Karplus, Martin; Vanden-Eijnden, Eric

2011-01-01

A set of techniques developed under the umbrella of the string method is used in combination with all-atom molecular dynamics simulations to analyze the conformation change between the prepowerstroke (PPS) and rigor (R) structures of the converter domain of myosin VI. The challenges specific to the application of these techniques to such a large and complex biomolecule are addressed in detail. These challenges include (i) identifying a proper set of collective variables to apply the string method, (ii) finding a suitable initial string, (iii) obtaining converged profiles of the free energy along the transition path, (iv) validating and interpreting the free energy profiles, and (v) computing the mean first passage time of the transition. A detailed description of the PPS↔R transition in the converter domain of myosin VI is obtained, including the transition path, the free energy along the path, and the rates of interconversion. The methodology developed here is expected to be useful more generally in studies of conformational transitions in complex biomolecules. PMID:21361558

Magnetic Field Dependent Charge Transport Studies in Organic Semiconducting Materials

NASA Astrophysics Data System (ADS)

Martin, Jesse

Organic magnetoresistance is a phenomenon that is exhibited by many organic semiconductors. The resistance can change by more than 10 % at room temperature and as little as 10 milli-Tesla (mT) applied magnetic field. The change can be either positive or negative, and is angle invariant with respect to magnetic field orientation. Several theories have been presented to account for this anomalous magnetoresistance, but thus far the magnetoresistance by interconversion of singlets and triplets (MIST) model has been the most successful in explaining the behavior. Despite all the research that has gone into this effect, very few reports have gone to fields above 1 Tesla (T). In this manuscript, several specific predictions made by the MIST mechanism will be tested including qualitative behaviors and a quantitative fitting. Studies have been performed up to 35 T to explore the high field behavior. It will be demonstrated that for the low field regime, the MIST model is in excellent agreement with experiment, but that the high field regime is caused by a separate mechanism, not described by any current theory.

Towards a microscopic description of the free-energy landscape of water.

PubMed

Prada-Gracia, Diego; Shevchuk, Roman; Hamm, Peter; Rao, Francesco

2012-10-14

Free-energy landscape theory is often used to describe complex molecular systems. Here, a microscopic description of water structure and dynamics based on configuration-space-networks and molecular dynamics simulations of the TIP4P/2005 model is applied to investigate the free-energy landscape of water. The latter is built on top of a large set of water microstates describing the kinetic stability of local hydrogen-bond arrangements up to the second solvation shell. In temperature space, the landscape displays three different regimes. At around ambient conditions, the free-energy surface is characterized by many short-lived basins of attraction which are structurally well-defined (inhomogeneous regime). At lower temperatures instead, the liquid rapidly becomes homogeneous. In this regime, the free energy is funneled-like, with fully coordinated water arrangements at the bottom of the funnel. Finally, a third regime develops below the temperature of maximal compressibility (Widom line) where the funnel becomes steeper with few interconversions between microstates other than the fully coordinated ones. Our results present a way to manage the complexity of water structure and dynamics, connecting microscopic properties to its ensemble behavior.

Combined metabolomic and correlation networks analyses reveal fumarase insufficiency altered amino acid metabolism.

PubMed

Hou, Entai; Li, Xian; Liu, Zerong; Zhang, Fuchang; Tian, Zhongmin

2018-04-01

Fumarase catalyzes the interconversion of fumarate and l-malate in the tricarboxylic acid cycle. Fumarase insufficiencies were associated with increased levels of fumarate, decreased levels of malate and exacerbated salt-induced hypertension. To gain insights into the metabolism profiles induced by fumarase insufficiency and identify key regulatory metabolites, we applied a GC-MS based metabolomics platform coupled with a network approach to analyze fumarase insufficient human umbilical vein endothelial cells (HUVEC) and negative controls. A total of 24 altered metabolites involved in seven metabolic pathways were identified as significantly altered, and enriched for the biological module of amino acids metabolism. In addition, Pearson correlation network analysis revealed that fumaric acid, l-malic acid, l-aspartic acid, glycine and l-glutamic acid were hub metabolites according to Pagerank based on their three centrality indices. Alanine aminotransferase and glutamate dehydrogenase activities increased significantly in fumarase deficiency HUVEC. These results confirmed that fumarase insufficiency altered amino acid metabolism. The combination of metabolomics and network methods would provide another perspective on expounding the molecular mechanism at metabolomics level. Copyright © 2017 John Wiley & Sons, Ltd.

34 CFR 76.530 - General cost principles.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 34 Education 1 2010-07-01 2010-07-01 false General cost principles. 76.530 Section 76.530... Be Met by the State and Its Subgrantees? Allowable Costs § 76.530 General cost principles. Both 34 CFR 74.27 and 34 CFR 80.22 reference the general cost principles that apply to grants, subgrants and...

Does the Modality Principle for Multimedia Learning Apply to Science Classrooms?

ERIC Educational Resources Information Center

Harskamp, Egbert G.; Mayer, Richard E.; Suhre, Cor

2007-01-01

This study demonstrated that the modality principle applies to multimedia learning of regular science lessons in school settings. In the first field experiment, 27 Dutch secondary school students (age 16-17) received a self-paced, web-based multimedia lesson in biology. Students who received lessons containing illustrations and narration performed…

12 CFR 223.22 - What valuation and timing principles apply to asset purchases?

Code of Federal Regulations, 2010 CFR

2010-01-01

... 12 Banks and Banking 3 2010-01-01 2010-01-01 false What valuation and timing principles apply to asset purchases? 223.22 Section 223.22 Banks and Banking FEDERAL RESERVE SYSTEM (CONTINUED) BOARD OF GOVERNORS OF THE FEDERAL RESERVE SYSTEM TRANSACTIONS BETWEEN MEMBER BANKS AND THEIR AFFILIATES (REGULATION W...

12 CFR 223.21 - What valuation and timing principles apply to credit transactions?

Code of Federal Regulations, 2010 CFR

2010-01-01

... 12 Banks and Banking 3 2010-01-01 2010-01-01 false What valuation and timing principles apply to credit transactions? 223.21 Section 223.21 Banks and Banking FEDERAL RESERVE SYSTEM (CONTINUED) BOARD OF GOVERNORS OF THE FEDERAL RESERVE SYSTEM TRANSACTIONS BETWEEN MEMBER BANKS AND THEIR AFFILIATES (REGULATION W...

42 CFR 405.356 - Principles applied in waiver of adjustment or recovery.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 42 Public Health 2 2011-10-01 2011-10-01 false Principles applied in waiver of adjustment or recovery. 405.356 Section 405.356 Public Health CENTERS FOR MEDICARE & MEDICAID SERVICES, DEPARTMENT OF HEALTH AND HUMAN SERVICES MEDICARE PROGRAM FEDERAL HEALTH INSURANCE FOR THE AGED AND DISABLED Suspension...

42 CFR 405.356 - Principles applied in waiver of adjustment or recovery.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 42 Public Health 2 2010-10-01 2010-10-01 false Principles applied in waiver of adjustment or recovery. 405.356 Section 405.356 Public Health CENTERS FOR MEDICARE & MEDICAID SERVICES, DEPARTMENT OF HEALTH AND HUMAN SERVICES MEDICARE PROGRAM FEDERAL HEALTH INSURANCE FOR THE AGED AND DISABLED Suspension...

The Use of Whiteheadian Principles in University Adult Education.

ERIC Educational Resources Information Center

Marx, Lucy Ann

This study examines the philosophy of Alfred North Whitehead to determine his theory of value and apply it to the principles, objectives, and positions of university adult education. Whitehead's value criteria are applied to the two major statements on policy of university adult education, which the writer feels are inadequate: the National…

Applying Statistical Process Control to Clinical Data: An Illustration.

ERIC Educational Resources Information Center

Pfadt, Al; And Others

1992-01-01

Principles of statistical process control are applied to a clinical setting through the use of control charts to detect changes, as part of treatment planning and clinical decision-making processes. The logic of control chart analysis is derived from principles of statistical inference. Sample charts offer examples of evaluating baselines and…

Learning by Doing: Teaching Decision Making through Building a Code of Ethics.

ERIC Educational Resources Information Center

Hawthorne, Mark D.

2001-01-01

Notes that applying abstract ethical principles to the practical business of building a code of applied ethics for a technical communication department teaches students that they share certain unarticulated or unconscious values that they can translate into ethical principles. Suggests that combining abstract theory with practical policy writing…

Chemical exchange in biomacromolecules: Past, present, and future

PubMed Central

Palmer, Arthur G.

2014-01-01

The perspective reviews quantitative investigations of chemical exchange phenomena in proteins and other biological macromolecules using NMR spectroscopy, particularly relaxation dispersion methods. The emphasis is on techniques and applications that quantify the populations, interconversion kinetics, and structural features of sparsely populated conformational states in equilibrium with a highly populated ground state. Applications to folding, mol ecular recognition, catalysis, and allostery by proteins and nucleic acids are highlighted. PMID:24656076

19 CFR 10.550 - Verification and justification of claim for preferential treatment.

Code of Federal Regulations, 2010 CFR

2010-04-01

... may agree. (b) Applicable accounting principles. When conducting a verification of origin to which Generally Accepted Accounting Principles may be relevant, CBP will apply and accept the Generally Accepted Accounting Principles applicable in the country of production. ...

Size cues and the adjacency principle.

DOT National Transportation Integrated Search

1963-11-01

The purpose of the present study was to apply the adjacency principle to the perception of relative depth from size cues. In agreement with the adjacency principle, it was found that the size cue between adjacent objects was more effective than the s...

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

Selezneva, Anna I.; Cavigiolio, Giorgio; Theil, Elizabeth C.

Iron regulatory protein 1 (IRP1) is a bifunctional protein with activity as an RNA-binding protein or as a cytoplasmic aconitase. Interconversion of IRP1 between these mutually exclusive states is central to cellular iron regulation and is accomplished through iron-responsive assembly and disassembly of a [4Fe-4S] cluster. When in its apo form, IRP1 binds to iron responsive elements (IREs) found in mRNAs encoding proteins of iron storage and transport and either prevents translation or degradation of the bound mRNA. Excess cellular iron stimulates the assembly of a [4Fe-4S] cluster in IRP1, inhibiting its IRE-binding ability and converting it to an aconitase.more » The three-dimensional structure of IRP1 in its different active forms will provide details of the interconversion process and clarify the selective recognition of mRNA, Fe-S sites and catalytic activity. To this end, the apo form of IRP1 bound to a ferritin IRE was crystallized. Crystals belong to the monoclinic space group P21, with unit-cell parameters a = 109.6, b = 80.9, c = 142.9 {angstrom}, = 92.0{sup o}. Native data sets have been collected from several crystals with resolution extending to 2.8 {angstrom} and the structure has been solved by molecular replacement.« less

Direct Detection of Singlet-Triplet Interconversion in OLED Magnetoelectroluminescence with a Metal-Free Fluorescence-Phosphorescence Dual Emitter

NASA Astrophysics Data System (ADS)

Ratzke, Wolfram; Bange, Sebastian; Lupton, John M.

2018-05-01

We demonstrate that a simple phenazine derivative can serve as a dual emitter for organic light-emitting diodes, showing simultaneous luminescence from the singlet and triplet excited states at room temperature without the need of heavy-atom substituents. Although devices made with this emitter achieve only low quantum efficiencies of <0.2 % , changes in fluorescence and phosphorescence intensity on the subpercent scale caused by an external magnetic field of up to 30 mT are clearly resolved with an ultra-low-noise optical imaging technique. The results demonstrate the concept of using simple reporter molecules, available commercially, to optically detect the spin of excited states formed in an organic light-emitting diode and thereby probe the underlying spin statistics of recombining electron-hole pairs. A clear anticorrelation of the magnetic-field dependence of singlet and triplet emission shows that it is the spin interconversion between singlet and triplet which dominates the magnetoluminescence response: the phosphorescence intensity decreases by the same amount as the fluorescence intensity increases. The concurrent detection of singlet and triplet emission as well as device resistance at cryogenic and room temperature constitute a useful tool to disentangle the effects of spin-dependent recombination from spin-dependent transport mechanisms.

Experimental study of the polyamorphism of water. II. The isobaric transitions between HDA and VHDA at intermediate and high pressures.

PubMed

Handle, Philip H; Loerting, Thomas

2018-03-28

Since the first report of very-high density amorphous ice (VHDA) in 2001 [T. Loerting et al., Phys. Chem. Chem. Phys. 3, 5355-5357 (2001)], the status of VHDA as a distinct amorphous ice has been debated. We here study VHDA and its relation to expanded high density amorphous ice (eHDA) on the basis of isobaric heating experiments. VHDA was heated at 0.1 ≤ p ≤ 0.7 GPa, and eHDA was heated at 1.1 ≤ p ≤ 1.6 GPa to achieve interconversion. The behavior upon heating is monitored using in situ volumetry as well as ex situ X-ray diffraction and differential scanning calorimetry. We do not observe a sharp transition for any of the isobaric experiments. Instead, a continuous expansion (VHDA) or densification (eHDA) marks the interconversion. This suggests that a continuum of states exists between VHDA and HDA, at least in the temperature range studied here. This further suggests that VHDA is the most relaxed amorphous ice at high pressures and eHDA is the most relaxed amorphous ice at intermediate pressures. It remains unclear whether or not HDA and VHDA experience a sharp transition upon isothermal compression/decompression at low temperature.

Experimental study of the polyamorphism of water. II. The isobaric transitions between HDA and VHDA at intermediate and high pressures

NASA Astrophysics Data System (ADS)

Handle, Philip H.; Loerting, Thomas

2018-03-01

Since the first report of very-high density amorphous ice (VHDA) in 2001 [T. Loerting et al., Phys. Chem. Chem. Phys. 3, 5355-5357 (2001)], the status of VHDA as a distinct amorphous ice has been debated. We here study VHDA and its relation to expanded high density amorphous ice (eHDA) on the basis of isobaric heating experiments. VHDA was heated at 0.1 ≤ p ≤ 0.7 GPa, and eHDA was heated at 1.1 ≤ p ≤ 1.6 GPa to achieve interconversion. The behavior upon heating is monitored using in situ volumetry as well as ex situ X-ray diffraction and differential scanning calorimetry. We do not observe a sharp transition for any of the isobaric experiments. Instead, a continuous expansion (VHDA) or densification (eHDA) marks the interconversion. This suggests that a continuum of states exists between VHDA and HDA, at least in the temperature range studied here. This further suggests that VHDA is the most relaxed amorphous ice at high pressures and eHDA is the most relaxed amorphous ice at intermediate pressures. It remains unclear whether or not HDA and VHDA experience a sharp transition upon isothermal compression/decompression at low temperature.

41 CFR Appendix A to Subpart B of... - 3-Key Points and Principles

Code of Federal Regulations, 2010 CFR

2010-07-01

... Principles A Appendix A to Subpart B of Part 102 Public Contracts and Property Management Federal Property.... B, App. A Appendix A to Subpart B of Part 102-3—Key Points and Principles This appendix provides... principles that may be applied to situations not covered elsewhere in this subpart. The guidance follows: Key...

41 CFR Appendix A to Subpart D of... - 3-Key Points and Principles

Code of Federal Regulations, 2010 CFR

2010-07-01

... Principles A Appendix A to Subpart D of Part 102 Public Contracts and Property Management Federal Property... Subpart D of Part 102-3—Key Points and Principles This appendix provides additional guidance in the form of answers to frequently asked questions and identifies key points and principles that may be applied...

41 CFR Appendix A to Subpart C of... - 3-Key Points and Principles

Code of Federal Regulations, 2010 CFR

2010-07-01

... Principles A Appendix A to Subpart C of Part 102 Public Contracts and Property Management Federal Property... 102-3—Key Points and Principles This appendix provides additional guidance in the form of answers to frequently asked questions and identifies key points and principles that may be applied to situations not...

Teaching/learning principles

NASA Technical Reports Server (NTRS)

Hankins, D. B.; Wake, W. H.

1981-01-01

The potential remote sensing user community is enormous, and the teaching and training tasks are even larger; however, some underlying principles may be synthesized and applied at all levels from elementary school children to sophisticated and knowledgeable adults. The basic rules applying to each of the six major elements of any training course and the underlying principle involved in each rule are summarized. The six identified major elements are: (1) field sites for problems and practice; (2) lectures and inside study; (3) learning materials and resources (the kit); (4) the field experience; (5) laboratory sessions; and (6) testing and evaluation.

The modification of generalized uncertainty principle applied in the detection technique of femtosecond laser

NASA Astrophysics Data System (ADS)

Li, Ziyi

2017-12-01

Generalized uncertainty principle (GUP), also known as the generalized uncertainty relationship, is the modified form of the classical Heisenberg’s Uncertainty Principle in special cases. When we apply quantum gravity theories such as the string theory, the theoretical results suggested that there should be a “minimum length of observation”, which is about the size of the Planck-scale (10-35m). Taking into account the basic scale of existence, we need to fix a new common form of Heisenberg’s uncertainty principle in the thermodynamic system and make effective corrections to statistical physical questions concerning about the quantum density of states. Especially for the condition at high temperature and high energy levels, generalized uncertainty calculations have a disruptive impact on classical statistical physical theories but the present theory of Femtosecond laser is still established on the classical Heisenberg’s Uncertainty Principle. In order to improve the detective accuracy and temporal resolution of the Femtosecond laser, we applied the modified form of generalized uncertainty principle to the wavelength, energy and pulse time of Femtosecond laser in our work. And we designed three typical systems from micro to macro size to estimate the feasibility of our theoretical model and method, respectively in the chemical solution condition, crystal lattice condition and nuclear fission reactor condition.

A Review: Principles of Design and Analysis of Learning Systems

ERIC Educational Resources Information Center

Durney, Carl H.

1973-01-01

Analyzes a traditional and an innovative course in terms of learning principles, involving Erickson's management methods and Gagne's learning activities. Suggests that learning systems should be designed by applying all principles rather than emphasizing one or two of them. (CC)

Accessible by Design: Applying UDL Principles in a First Year Undergraduate Course

ERIC Educational Resources Information Center

Kumar, Kari Lynne; Wideman, Maureen

2014-01-01

This article presents a case study of a technology-enhanced face-to-face health sciences course in which the principles of Universal Design for Learning (UDL) were applied. Students were offered a variety of means of representation, engagement, and expression throughout the course, and were surveyed and interviewed at the end of the term to…

Translational Research Principles Applied to Education: The Mapping Educational Specialist Knowhow (MESH) Initiative

ERIC Educational Resources Information Center

Burden, Kevin; Younie, Sarah; Leask, Marilyn

2013-01-01

The Mapping Educational Specialist Knowhow (MESH) Initiative is part of a research project applying knowledge management principles which are well known in other sectors, public and private, to the education sector. The goal is to develop and test out the new ways of working, now possible with digital technologies, which can address long standing…

Practicing What Is Preached: Self-Reflections on Memory in a Memory Course

ERIC Educational Resources Information Center

Conrad, Nicole J.

2013-01-01

To apply several principles of memory covered in a first-year university memory course, I developed a series of one-page self-reflection papers on memory that require students to engage with the material in a meaningful way. These short papers cover topics related to memory, and the assignment itself applies these same principles, reinforcing…

A Rejection Principle for Sequential Tests of Multiple Hypotheses Controlling Familywise Error Rates

PubMed Central

BARTROFF, JAY; SONG, JINLIN

2015-01-01

We present a unifying approach to multiple testing procedures for sequential (or streaming) data by giving sufficient conditions for a sequential multiple testing procedure to control the familywise error rate (FWER). Together we call these conditions a “rejection principle for sequential tests,” which we then apply to some existing sequential multiple testing procedures to give simplified understanding of their FWER control. Next the principle is applied to derive two new sequential multiple testing procedures with provable FWER control, one for testing hypotheses in order and another for closed testing. Examples of these new procedures are given by applying them to a chromosome aberration data set and to finding the maximum safe dose of a treatment. PMID:26985125

Psychiatric/ psychological forensic report writing.

PubMed

Young, Gerald

Approaches to forensic report writing in psychiatry, psychology, and related mental health disciplines have moved from an organization, content, and stylistic framework to considering ethical and other codes, evidentiary standards, and practice considerations. The first part of the article surveys different approaches to forensic report writing, including that of forensic mental health assessment and psychiatric ethics. The second part deals especially with psychological ethical approaches. The American Psychological Association's Ethical Principles and Code of Conduct (2002) provide one set of principles on which to base forensic report writing. The U.S. Federal Rules of Evidence (2014) and related state rules provide another basis. The American Psychological Association's Specialty Guidelines for Forensic Psychology (2013) provide a third source. Some work has expanded the principles in ethics codes; and, in the third part of this article, these additions are applied to forensic report writing. Other work that could help with the question of forensic report writing concerns the 4 Ds in psychological injury assessments (e.g., conduct oneself with Dignity, avoid the adversary Divide, get the needed reliable Data, Determine interpretations and conclusions judiciously). One overarching ethical principle that is especially applicable in forensic report writing is to be comprehensive, scientific, and impartial. As applied to forensic report writing, the overall principle that applies is that the work process and product should reflect integrity in its ethics, law, and science. Four principles that derive from this meta-principle concern: Competency and Communication; Procedure and Protection; Dignity and Distance; and Data Collection and Determination. The standards or rules associated with each of these principles are reviewed. Crown Copyright © 2016. Published by Elsevier Ltd. All rights reserved.

Accounting Principles 30G. Interim Guide.

ERIC Educational Resources Information Center

Manitoba Dept. of Education and Training, Winnipeg.

This curriculum guide was developed for a senior-level introductory accounting course for students in high schools in Manitoba. The course introduces Canadian accounting principles and practices; it applies Generally Accepted Accounting Principles (GAAP) to introductory financial accounting. The guide includes the following components: (1) an…

Le Chatelier's Principle and the Prediction Temperature on Solubilities.

ERIC Educational Resources Information Center

Fernandez-Prini, R.

1982-01-01

Discusses Le Chatelier's Principle from a thermodynamic perspective and applies it to the effect of temperature on the solubility of gases in liquids. Rationale of this discussion is to evaluate data in a previous article claimed to be contradictory to the Principle. (Author/JN)

76 FR 32933 - International Standard-Setting Activities

Federal Register 2010, 2011, 2012, 2013, 2014

2011-06-07

... or re-evaluation by JECFA. Proposed amendments to the Risk Analysis Principles for CCRVDF for comments and consideration at the next session. Proposed revision of Risk Analysis Principles Applied by... the Classification of Foods and Animal Feeds: Tree Nuts, Herbs and Spices. Draft Principle and...

Striving for Excellence: Applications of Successful Business Principles. Ideas for Action in Education and Work.

ERIC Educational Resources Information Center

Owens, Tom

Eight principles that have been used to reach excellence in business and industry and ways that schools can apply those principles are described. The principles, identified by Thomas J. Peters and Robert N. Waterman, Jr. in "In Search of Excellence: Lessons from America's Best-Run Companies" are: (1) a bias for action (not waiting for…

Time to Exorcise Another Ghost From the Vietnam War: Restructuring the In-Service Conscientious Objector Program

DTIC Science & Technology

1993-04-01

rely on Lemon v . Kurtzman , 403 U.S. 602 (1971), in its analysis even though Lemon previously had been the most commonly applied analytical approach to...U.S. 203, (1963) (applying a secular purpose and principle effects test to measure neutrality); Lemon v . Kurtzman , 403 U.S. 602 (1971) (applying a...from Lemon along with measuring secular symbols as impacting determination of secular purpose and principle effect); Lee v . Weisman, 112 S. Ct. 2649

The August Krogh principle applies to plants

NASA Technical Reports Server (NTRS)

Wayne, R.; Staves, M. P.

1996-01-01

The Krogh principle refers to the use of a large number of animals to study the large number of physiological problems, rather than limiting study to a particular organism for all problems. There may be organisms that are more suited to study of a particular problem than others. This same principle applies to plants. The authors are concerned with the recent trend in plant biology of using Arabidopsis thaliana as the "organism of choice." Arabidopsis is an excellent organism for molecular genetic research, but other plants are superior models for other research areas of plant biology. The authors present examples of the successful use of the Krogh principle in plant cell biology research, emphasizing the particular characteristics of the selected research organisms that make them the appropriate choice.

Babinet's principle in double-refraction systems

NASA Astrophysics Data System (ADS)

Ropars, Guy; Le Floch, Albert

2014-06-01

Babinet's principle applied to systems with double refraction is shown to involve spatial interchanges between the ordinary and extraordinary patterns observed through two complementary screens. As in the case of metamaterials, the extraordinary beam does not follow the Snell-Descartes refraction law, the superposition principle has to be applied simultaneously at two points. Surprisingly, by contrast to the intuitive impression, in the presence of the screen with an opaque region, we observe that the emerging extraordinary photon pattern, which however has undergone a deviation, remains fixed when a natural birefringent crystal is rotated while the ordinary one rotates with the crystal. The twofold application of Babinet's principle implies intensity and polarization interchanges but also spatial and dynamic interchanges which should occur in birefringent metamaterials.

Using Behavioral Economics to Design Physician Incentives That Deliver High-Value Care.

PubMed

Emanuel, Ezekiel J; Ubel, Peter A; Kessler, Judd B; Meyer, Gregg; Muller, Ralph W; Navathe, Amol S; Patel, Pankaj; Pearl, Robert; Rosenthal, Meredith B; Sacks, Lee; Sen, Aditi P; Sherman, Paul; Volpp, Kevin G

2016-01-19

Behavioral economics provides insights about the development of effective incentives for physicians to deliver high-value care. It suggests that the structure and delivery of incentives can shape behavior, as can thoughtful design of the decision-making environment. This article discusses several principles of behavioral economics, including inertia, loss aversion, choice overload, and relative social ranking. Whereas these principles have been applied to motivate personal health decisions, retirement planning, and savings behavior, they have been largely ignored in the design of physician incentive programs. Applying these principles to physician incentives can improve their effectiveness through better alignment with performance goals. Anecdotal examples of successful incentive programs that apply behavioral economics principles are provided, even as the authors recognize that its application to the design of physician incentives is largely untested, and many outstanding questions exist. Application and rigorous evaluation of infrastructure changes and incentives are needed to design payment systems that incentivize high-quality, cost-conscious care.

Quantum Mechanics predicts evolutionary biology.

PubMed

Torday, J S

2018-07-01

Nowhere are the shortcomings of conventional descriptive biology more evident than in the literature on Quantum Biology. In the on-going effort to apply Quantum Mechanics to evolutionary biology, merging Quantum Mechanics with the fundamentals of evolution as the First Principles of Physiology-namely negentropy, chemiosmosis and homeostasis-offers an authentic opportunity to understand how and why physics constitutes the basic principles of biology. Negentropy and chemiosmosis confer determinism on the unicell, whereas homeostasis constitutes Free Will because it offers a probabilistic range of physiologic set points. Similarly, on this basis several principles of Quantum Mechanics also apply directly to biology. The Pauli Exclusion Principle is both deterministic and probabilistic, whereas non-localization and the Heisenberg Uncertainty Principle are both probabilistic, providing the long-sought after ontologic and causal continuum from physics to biology and evolution as the holistic integration recognized as consciousness for the first time. Copyright © 2018 Elsevier Ltd. All rights reserved.

Thermal Decomposition of 1,5-Dinitrobiuret (DNB): Direct Dynamics Trajectory Simulations and Statistical Modeling

DTIC Science & Technology

2011-05-03

18 . NUMBER OF PAGES 19a. NAME OF RESPONSIBLE PERSON Dr. Tommy W. Hawkins a. REPORT Unclassified b. ABSTRACT Unclassified c. THIS PAGE...branching using Rice-Ramsperger-Kassel-Marcus (RRKM) theory, 18 and finally to the analysis of inter-conversions of primary decomposition products...theory, 18 was employed to examine the properties of the reactant, intermediate complex and transition states as a function of the total internal energy

Multifunctional energy landscape for a DNA G-quadruplex: An evolved molecular switch

NASA Astrophysics Data System (ADS)

Cragnolini, Tristan; Chakraborty, Debayan; Šponer, Jiří; Derreumaux, Philippe; Pasquali, Samuela; Wales, David J.

2017-10-01

We explore the energy landscape for a four-fold telomere repeat, obtaining interconversion pathways between six experimentally characterised G-quadruplex topologies. The results reveal a multi-funnel system, with a variety of intermediate configurations and misfolded states. This organisation is identified with the intrinsically multi-functional nature of the system, suggesting a new paradigm for the classification of such biomolecules and clarifying issues regarding apparently conflicting experimental results.

19 CFR 10.470 - Verification and justification of claim for preferential treatment.

Code of Federal Regulations, 2010 CFR

2010-04-01

... accounting and financial records, information relating to the place of production, the number and...) Applicable accounting principles. When conducting a verification of origin to which Generally Accepted Accounting Principles may be relevant, CBP will apply and accept the Generally Accepted Accounting Principles...

APPLYING ECOLOGICAL PRINCIPLES TO LAND-USE DECISION MAKING IN AGRICULTURAL WATERSHEDS

EPA Science Inventory

The Ecological Society of America on sustainable Land Use has put together a set of ecological principles and guidelines to help in land-use decision making. The practical application of these principles and the associated guidelines to planning efforts in real landscapes will r...

Using Principles of Programmed Instruction

ERIC Educational Resources Information Center

Huffman, Harry

1971-01-01

Although programmed instruction in accounting is available, it is limited in scope and in acceptance. Teachers, however, may apply principles of programming to the individualizing of instruction. (Author)

Cost Reporting at a Navy Branch Clinic

DTIC Science & Technology

1993-03-01

John Wiley & Sons, 1991. 15 Horngren , Charles, Cost Accounting -=A Managerial Emphasis, 5th Edition, Prentice Hall, Inc., Englewood Cliffs, N.J., 1982...traditionally reported under a partial cost reporting system. By applying basic principles of managerial accounting , a full cost reporting system is...traditionally reported under a partial cost reporting system. By applying basic principles of managerial accounting , a proposed full cost reporting

A Chaplain’s Guide to Privileged Communications

DTIC Science & Technology

2001-04-01

the privilege.82 [This case presents an interesting dilemma . In our day of paranoia concerning accusations of sexual impropriety, some clergy, when...legal, and professional) an ethical principle is developed, which is then applied to specific situation involving privileged communication. This...legal, and professional) an ethical principle is developed, which is then applied to specific situation involving privileged communication. This work

Principles of Technology. Final Report, Leander Independent School District.

ERIC Educational Resources Information Center

Leander Independent School District, TX.

Principles of Technology was designed as a high school course in applied science for vocational students in the 11th and 12th grades in Leander, Texas. It consists of a 2-year curriculum covering 14 units in applied physics: (1) force; (2) work; (3) rate; (4) resistance; (5) energy; (6) power; (7) force transformers; (8) momentum; (9) waves and…

Competency Test Items for Applied Principles of Agribusiness and Natural Resources Occupations. Ornamental Horticulture Component. A Report of Research.

ERIC Educational Resources Information Center

Cheek, Jimmy G.; McGhee, Max B.

The central purpose of this study was to develop and field test written criterion-referenced tests for the ornamental horticulture component of applied principles of agribusiness and natural resources occupations programs. The test items were to be used by secondary agricultural education students in Florida. Based upon the objectives identified…

A precautionary principle for dual use research in the life sciences.

PubMed

Kuhlau, Frida; Höglund, Anna T; Evers, Kathinka; Eriksson, Stefan

2011-01-01

Most life science research entails dual-use complexity and may be misused for harmful purposes, e.g. biological weapons. The Precautionary Principle applies to special problems characterized by complexity in the relationship between human activities and their consequences. This article examines whether the principle, so far mainly used in environmental and public health issues, is applicable and suitable to the field of dual-use life science research. Four central elements of the principle are examined: threat, uncertainty, prescription and action. Although charges against the principle exist - for example that it stifles scientific development, lacks practical applicability and is poorly defined and vague - the analysis concludes that a Precautionary Principle is applicable to the field. Certain factors such as credibility of the threat, availability of information, clear prescriptive demands on responsibility and directives on how to act, determine the suitability and success of a Precautionary Principle. Moreover, policy-makers and researchers share a responsibility for providing and seeking information about potential sources of harm. A central conclusion is that the principle is meaningful and useful if applied as a context-dependent moral principle and allowed flexibility in its practical use. The principle may then inspire awareness-raising and the establishment of practical routines which appropriately reflect the fact that life science research may be misused for harmful purposes. © 2009 Blackwell Publishing Ltd.

The Atlanta Campaign: Principle of the Objective Revisited

DTIC Science & Technology

1975-06-06

conclusion« of the thesis are : 1. The Union commander applied the principle of the objective during the campaign pushing the Confederate force« to a town 20...Official Records of the Confederate and Onion Arnde«. Conclusions of the thesis are that Sherman applied the principle of the objective until the...rfWrwM»»»"«»w*l^n II IIUU«!..«!! Ü!.’. ■ ■LL.l- »oÜabV In 1970, I uas .issl^r.tJ tc :i«dquirt«».-:t Tlurf Ar -.y *t Fort I’.cPhtrson In th

Green extraction of natural products: concept and principles.

PubMed

Chemat, Farid; Vian, Maryline Abert; Cravotto, Giancarlo

2012-01-01

The design of green and sustainable extraction methods of natural products is currently a hot research topic in the multidisciplinary area of applied chemistry, biology and technology. Herein we aimed to introduce the six principles of green-extraction, describing a multifaceted strategy to apply this concept at research and industrial level. The mainstay of this working protocol are new and innovative technologies, process intensification, agro-solvents and energy saving. The concept, principles and examples of green extraction here discussed, offer an updated glimpse of the huge technological effort that is being made and the diverse applications that are being developed.

Adult Learning Principles and Presentation Pearls

PubMed Central

Palis, Ana G.; Quiros, Peter A.

2014-01-01

Although lectures are one of the most common methods of knowledge transfer in medicine, their effectiveness has been questioned. Passive formats, lack of relevance and disconnection from the student's needs are some of the arguments supporting this apparent lack of efficacy. However, many authors have suggested that applying adult learning principles (i.e., relevance, congruence with student's needs, interactivity, connection to student's previous knowledge and experience) to this method increases learning by lectures and the effectiveness of lectures. This paper presents recommendations for applying adult learning principles during planning, creation and development of lectures to make them more effective. PMID:24791101

Higher-Education Budgeting at the State Level: Concepts and Principles.

ERIC Educational Resources Information Center

Jones, Dennis P.

New approaches to allocating state resources to colleges are discussed. Budgeting and resource allocation principles are considered that: (1) reflect the unique context of higher education; (2) are consistent with sound budgeting and management principles; and (3) represent institutional mechanisms applied at the state level rather than approaches…

Applying Brain-Based Learning Principles to Athletic Training Education

ERIC Educational Resources Information Center

Craig, Debbie I.

2007-01-01

Objective: To present different concepts and techniques related to the application of brain-based learning principles to Athletic Training clinical education. Background: The body of knowledge concerning how our brains physically learn continues to grow. Brain-based learning principles, developed by numerous authors, offer advice on how to…

Traditional ecological knowledge: Applying principles of sustainability to wilderness resource management

Treesearch

Nancy C. Ratner; Davin L. Holen

2007-01-01

Traditional ecological knowledge within specific cultural and geographical contexts was explored during an interactive session at the 8th World Wilderness Congress to identify traditional principles of sustainability. Participants analyzed the traditional knowledge contained in ten posters from Canada and Alaska and identified and discussed the traditional principles...

An ecological basis for ecosystem management

Treesearch

M. R. Kaufmann; R. T. Graham; D. A. Boyce; W. H. Moir; L. Perry; R. T. Reynolds; R. L. Bassett; P. Mehlhop; C. B. Edminster; W. M. Block; P. S. Corn

1994-01-01

Guiding principles based on conservation biology are applied in assessing ecosystem needs. Ecosystem, economic, and social needs are integrated in a decision model in which the guiding principles are used as a primary filter for evaluating proposed actions. Management practices consistent with the guiding principles are likely to lead to ecological, economic, and...

The Jet Principle: Technologies Provide Border Conditions for Global Learning

ERIC Educational Resources Information Center

Ahamer, Gilbert

2012-01-01

Purpose: The purpose of this paper is to first define the "jet principle" of (e-)learning as providing dynamically suitable framework conditions for enhanced learning procedures that combine views from multiple cultures of science. Second it applies this principle to the case of the "Global Studies" curriculum, a unique…

76 FR 33409 - Guidance on Deposit-Related Consumer Credit Products

Federal Register 2010, 2011, 2012, 2013, 2014

2011-06-08

... OCC's application of principles of safe and sound banking practices in connection with deposit-related... guidance details the principles that the OCC expects national banks to follow in connection with any... without dictating specific product terms. The OCC expects national banks to apply the principles set forth...

On the Pontryagin maximum principle for systems with delays. Economic applications

NASA Astrophysics Data System (ADS)

Kim, A. V.; Kormyshev, V. M.; Kwon, O. B.; Mukhametshin, E. R.

2017-11-01

The Pontryagin maximum principle [6] is the key stone of finite-dimensional optimal control theory [1, 2, 5]. So beginning with opening the maximum principle it was important to extend the maximum principle on various classes of dynamical systems. In t he paper we consider some aspects of application of i-smooth analysis [3, 4] in the theory of the Pontryagin maximum principle [6] for systems with delays, obtained results can be applied by elaborating optimal program controls in economic models with delays.

There Is More Variation "within" than "across" Domains: An Interview with Paul A. Kirschner about Applying Cognitive Psychology-Based Instructional Design Principles in Mathematics Teaching and Learning

ERIC Educational Resources Information Center

Kirschner, Paul A.; Verschaffel, Lieven; Star, Jon; Van Dooren, Wim

2017-01-01

In this interview we asked Paul A. Kirschner about his comments and reflections regarding the idea to apply cognitive psychology-based instructional design principles to mathematics education and some related issues. With a main focus on cognitive psychology, educational psychology, educational technology and instructional design, this…

26 CFR 1.954-8 - Foreign base company oil related income.

Code of Federal Regulations, 2010 CFR

2010-04-01

... generally under the principles of §§ 1.861-1 to 1.863-5. See § 1.863-6. Thus, income from the performance of... section 832(a) and as modified by the principles of § 1.953-4 (other than as the section is applied to... that country and will apply regardless of the country of sale of the primary product. (2) Marketing...

Defining Elements in the Planning of Early Childhood [Classrooms] as Parameters in the Development and Education of the Child.

ERIC Educational Resources Information Center

Bika, Anastasia

Noting that the design of the classroom used for early childhood and kindergarten classes can contribute in powerful ways to the education of young children, this paper applies principles of architecture to the organization and shaping of the interior classroom space. The paper maintains that five principles, when applied, create a climate of…

Energy Literacy : Essential Principles and Fundamental Concepts for Energy Education

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

None

Energy Literacy: Essential Principles and Fundamental Concepts for Energy Education presents energy concepts that, if understood and applied, will help individuals and communities make informed energy decisions.

Babinet principle applied to the design of metasurfaces and metamaterials.

PubMed

Falcone, F; Lopetegi, T; Laso, M A G; Baena, J D; Bonache, J; Beruete, M; Marqués, R; Martín, F; Sorolla, M

2004-11-05

The electromagnetic theory of diffraction and the Babinet principle are applied to the design of artificial metasurfaces and metamaterials. A new particle, the complementary split rings resonator, is proposed for the design of metasurfaces with high frequency selectivity and planar metamaterials with a negative dielectric permittivity. Applications in the fields of frequency selective surfaces and polarizers, as well as in microwave antennas and filter design, can be envisaged. The tunability of all these devices by an applied dc voltage is also achievable if these particles are etched on the appropriate substrate.

G-Quadruplex conformational change driven by pH variation with potential application as a nanoswitch.

PubMed

Yan, Yi-Yong; Tan, Jia-Heng; Lu, Yu-Jing; Yan, Siu-Cheong; Wong, Kwok-Yin; Li, Ding; Gu, Lian-Quan; Huang, Zhi-Shu

2013-10-01

G-Quadruplex is a highly polymorphic structure, and its behavior in acidic condition has not been well studied. Circular dichroism (CD) spectra were used to study the conformational change of G-quadruplex. The thermal stabilities of the G-quadruplex were measured with CD melting. Interconversion kinetics profiles were investigated by using CD kinetics. The fluorescence of the inserted 2-Aminopurine (Ap) was monitored during pH change and acrylamide quenching, indicating the status of the loop. Proton NMR was adopted to help illustrate the change of the conformation. G-Quadruplex of specific loop was found to be able to transform upon pH variation. The transformation was resulted from the loop rearrangement. After screening of a library of diverse G-quadruplex, a sequence exhibiting the best transformation property was found. A pH-driven nanoswitch with three gears was obtained based on this transition cycle. Certain G-quadruplex was found to go through conformational change at low pH. Loop was the decisive factor controlling the interconversion upon pH variation. G-Quadruplex with TT central loop could be converted in a much milder condition than the one with TTA loop. It can be used to design pH-driven nanodevices such as a nanoswitch. These results provide more insights into G-quadruplex polymorphism, and also contribute to the design of DNA-based nanomachines and logic gates. © 2013.

13C NMR study of the generation of C2- and C3-deuterated lactic acid by tumoral pancreatic islet cells exposed to D-[1-13C]-, D-[2-13C]- and D-[6-13C]-glucose in 2H2O.

PubMed

Willem, R; Biesemans, M; Kayser, F; Malaisse, W J

1994-03-01

Tumoral pancreatic islet cells of the RIN5mF line were incubated for 120 min in media prepared in 2H2O and containing D-[1-13C]glucose, D-[2-13C]glucose, and D-[6-13C]glucose. The generation of C2- and C3-deuterated lactic acid was assessed by 13C NMR. The interpretation of experimental results suggests that a) the efficiency of deuteration on the C1 of D-fructose 6-phosphate does not exceed about 47% and 4% in the phosphoglucoisomerase and phosphomannoisomerase reactions, respectively; b) approximately 38% of the molecules of D-glyceraldehyde 3-phosphate generated from D-glucose escape deuteration in the sequence of reactions catalyzed by triose phosphate isomerase and aldolase; and c) about 41% of the molecules of pyruvate generated by glycolysis are immediately converted to lactate, the remaining 59% of pyruvate molecules undergoing first a single or double back-and-forth interconversion with L-alanine. It is proposed that this methodological approach, based on high resolution 13C NMR spectroscopy, may provide novel information on the regulation of back-and-forth interconversion of glycolytic intermediates in intact cells as modulated, for instance, by enzyme-to-enzyme tunneling.

Generation of C3- and C2-deuterated L-lactic acid by human erythrocytes exposed to D-[1-13C]glucose, D-[2-13C]glucose and D-[6-13C]glucose in the presence of D2O.

PubMed

Malaisse, W J; Biesemans, M; Willem, R

1994-05-01

1. The generation of C2- and C3-deuterated L-lactate was monitored by 13C NMR in human erythrocytes exposed to D-[1-13C]glucose, D-[2-13C]glucose or D-[6-13C]glucose and incubated in a medium prepared in D2O. 2. The results suggested that the deuteration of the C1 of D-fructose 6-phosphate in the phosphoglucoisomerase reaction, the deuteration of the C1 of D-glyceraldehyde-3-phosphate in the sequence of reactions catalyzed by triose phosphate isomerase and aldolase and the deuteration of the C3 of pyruvate in the reaction catalyzed by pyruvate kinase were all lower than expected from equilibration with D2O. 3. Moreover, about 40% of the molecules of pyruvate generated by glycolysis apparently underwent deuteration on their C3 during interconversion of the 2-keto acid and L-alanine in the reaction catalyzed by glutamate-pyruvate transaminase. 4. The occurrence of the latter process was also documented in cells exposed to exogenous [3-13C]pyruvate. 5. This methodological approach is proposed to provide a new tool to assess in intact cells the extent of back-and-forth interconversion of selected metabolic intermediates.

C dbnd N sbnd N dbnd C conformational isomers of 2'-hydroxyacetophenone azine: FTIR matrix isolation and DFT study

NASA Astrophysics Data System (ADS)

Grzegorzek, Joanna; Mielke, Zofia; Filarowski, Aleksander

2010-07-01

2'-hydroxyacetophenone azine (APA) has been studied by matrix isolation infrared spectroscopy and quantum chemical calculations. The DFT/B3LYP/6-311++G(2d,2p) calculations demonstrated the existence of two conformers for the lowest energy E/ E configuration of APA, a s- trans and a gauche ones. The conformers are characterized by similar energies and differ in the value of a C dbnd N sbnd N dbnd C angle, that was calculated to be 180° for a planar s-trans conformer and 155° for a non-planar gauche one . The calculated barrier for conformational interconversion is also very low, ca. 1 kJ mol -1 for the conversion from a gauche conformer to a trans one. The FTIR spectra of an argon matrix doped with APA from a vapour above solid sample evidence the presence of both conformers that exhibit reversible interconversion at matrix temperatures. The comparison of the theoretical spectra with the experimental ones and reversible temperature dependence of the experimental spectra allowed for unambiguous spectroscopic characterization of the trans and gauche conformers. The experiment also demonstrated that a gauche conformer is more stable than a trans one. The spectra analysis indicates that transformation from a trans conformer to a gauche one weakens the intramolecular O sbnd H⋯N bonds in the molecule.

Difference in C3-C4 metabolism underlies tradeoff between growth rate and biomass yield in Methylobacterium extorquens AM1.

PubMed

Fu, Yanfen; Beck, David A C; Lidstrom, Mary E

2016-07-19

Two variants of Methylobacterium extorquens AM1 demonstrated a trade-off between growth rate and biomass yield. In addition, growth rate and biomass yield were also affected by supplementation of growth medium with different amounts of cobalt. The metabolism changes relating to these growth phenomena as well as the trade-off were investigated in this study. (13)C metabolic flux analysis was used to generate a detailed central carbon metabolic flux map with both absolute and normalized flux values. The major differences between the two variants occurred at the formate node as well as within C3-C4 inter-conversion pathways. Higher relative fluxes through formyltetrahydrofolate ligase, phosphoenolpyruvate carboxylase, and malic enzyme led to higher biomass yield, while higher relative fluxes through pyruvate kinase and pyruvate dehydrogenase led to higher growth rate. These results were then tested by phenotypic studies on three mutants (null pyk, null pck mutant and null dme mutant) in both variants, which agreed with the model prediction. In this study, (13)C metabolic flux analysis for two strain variants of M. extorquens AM1 successfully identified metabolic pathways contributing to the trade-off between cell growth and biomass yield. Phenotypic analysis of mutants deficient in corresponding genes supported the conclusion that C3-C4 inter-conversion strategies were the major response to the trade-off.

A 3D in vitro model to explore the inter-conversion between epithelial and mesenchymal states during EMT and its reversion.

PubMed

Bidarra, S J; Oliveira, P; Rocha, S; Saraiva, D P; Oliveira, C; Barrias, C C

2016-06-03

Epithelial-to-mesenchymal transitions (EMT) are strongly implicated in cancer dissemination. Intermediate states, arising from inter-conversion between epithelial (E) and mesenchymal (M) states, are characterized by phenotypic heterogeneity combining E and M features and increased plasticity. Hybrid EMT states are highly relevant in metastatic contexts, but have been largely neglected, partially due to the lack of physiologically-relevant 3D platforms to study them. Here we propose a new in vitro model, combining mammary E cells with a bioengineered 3D matrix, to explore phenotypic and functional properties of cells in transition between E and M states. Optimized alginate-based 3D matrices provided adequate 3D microenvironments, where normal epithelial morphogenesis was recapitulated, with formation of acini-like structures, similar to those found in native mammary tissue. TGFβ1-driven EMT in 3D could be successfully promoted, generating M-like cells. TGFβ1 removal resulted in phenotypic switching to an intermediate state (RE cells), a hybrid cell population expressing both E and M markers at gene/protein levels. RE cells exhibited increased proliferative/clonogenic activity, as compared to M cells, being able to form large colonies containing cells with front-back polarity, suggesting a more aggressive phenotype. Our 3D model provides a powerful tool to investigate the role of the microenvironment on metastable EMT stages.

Principles and Practices for Teaching English as an International Language. ESL & Applied Linguistics Professional Series

ERIC Educational Resources Information Center

Allsagoff, Lubna, Ed.; McKay, Sandra Lee, Ed.; Hu, Guangwei, Ed.; Renandya, Willy A., Ed.

2012-01-01

What general principles should inform a socioculturally sensitive pedagogy for teaching English as an International Language and what practices would be consistent with these principles? This text explores the pedagogical implications of the continuing spread of English and its role as an international language, highlighting the importance of…

Le Chatelier's Principle Applied to the Temperature Dependence of Solubility.

ERIC Educational Resources Information Center

Treptow, Richard S.

1984-01-01

One effect of temperature is its influence on solubility, and that effect is used as a common example when teaching Le Chatelier's principle. Attempts to clarify the question of whether the principle holds in the case of the solubility of ionic compounds in water by investigating the literature data in detail. (JN)

Using the Music Industry To Teach Economic Principles.

ERIC Educational Resources Information Center

Stamm, K. Brad

The key purpose of this paper is to provide economics and business professors, particularly those teaching principles courses, with concrete examples of economic theory applied to the music industry. A second objective is to further the interest in economic theory among business majors and expose non-majors to economic principles via real world…

Representing Clarity: Using Universal Design Principles to Create Effective Hybrid Course Learning Materials

ERIC Educational Resources Information Center

Spiegel, Cheri Lemieux

2012-01-01

This article describes how the author applied principles of universal design to hybrid course materials to increase student understanding and, ultimately, success. Pulling the three principles of universal design--consistency, color, and icon representation--into the author's Blackboard course allowed her to change the types of reading skills…

77 FR 13098 - Multistakeholder Process To Develop Consumer Data Privacy Codes of Conduct

Federal Register 2010, 2011, 2012, 2013, 2014

2012-03-05

... Rights, which is a set of principles the Administration believes should govern the handling of personal... Commission's jurisdiction.\\3\\ Enforceable codes of conduct based on the principles set forth in the Consumer... businesses greater certainty about how agreed upon privacy principles apply to them. Companies will build...

ACHP | Community Revitalization Policy Statement Comment Period Now Open

Science.gov Websites

comments they might provide to the ACHP: How can the principles in the draft Policy Statement help ? How will the principles in the draft Policy Statement establish a framework for decision making when Officers and Certified Local Governments apply the principles in their review of local revitalization

An Ethical Principle for Social Justice in Community Development Practice.

ERIC Educational Resources Information Center

Sabre, Ru Michael

1980-01-01

Defines community development and shows how community development as an educational process embodies an ethical principle which, when applied to the analysis of community practices, promotes justice. (JOW)

Polymer separations by liquid interaction chromatography: principles - prospects - limitations.

PubMed

Radke, Wolfgang

2014-03-28

Most heterogeneities of polymers with respect to different structural features cannot be resolved by only size exclusion chromatography (SEC), the most frequently applied mode of polymer chromatography. Instead, methods of interaction chromatography became increasingly important. However, despite the increasing applications the principles and potential of polymer interaction chromatography are still often unknown to a large number of polymer scientists. The present review will explain the principles of the different modes of polymer chromatography. Based on selected examples it will be shown which separation techniques can be successfully applied for separations with respect to the different structural features of polymers. Copyright © 2013 Elsevier B.V. All rights reserved.

Feasibility and applicability of antimicrobial stewardship in immunocompromised patients.

PubMed

Robilotti, Elizabeth; Holubar, Marisa; Seo, Susan K; Deresinski, Stan

2017-08-01

Antimicrobial stewardship is the primary intervention in the battle against antimicrobial resistance, but clinicians do not always apply many key antimicrobial stewardship principles to patients with significant immune defects due to lack of data and fear of bad outcomes. We review evidence regarding the application of stewardship principles to immunocompromised patients, with a focus on solid organ and hematopoietic stem cell transplant recipients. Antimicrobial stewardship programs (ASPs), targeting immunocompromised patient populations such as oncology and transplant, are gaining traction. Emerging literature suggests that several stewardship interventions can be adapted to immunocompromised hosts and improve antimicrobial utilization, but data supporting improved outcomes is very limited. The application of antimicrobial stewardship principles to immunocompromised patients is feasible, necessary, and urgent. As antimicrobial stewardship programs gain momentum across a diverse range of healthcare settings more immunocompromised patients will fall under their purview. It is imperative that centers applying antimicrobial stewardship principles share their experience and establish collaborative research efforts to advance our knowledge base in applying antimicrobial stewardship initiatives to immunocompromised host populations, both in terms of programmatic success and patient outcomes.

Applying Virtual Rehearsal Principle in Developing a Persuasive Multimedia Learning Environment (PMLE)

NASA Astrophysics Data System (ADS)

Jaafar, Wan Ahmad; Nur, Sobihatun

This paper is outlining the potential use of virtual environment in persuading through computer simulation. The main focus of the paper is to apply an attempt of how virtual rehearsal principle can be designed into educational material using CD ROM based multimedia application to persuade as well as to reduce children dental anxiety particularly in Malaysian children context. This paper divided in three stages. Firstly, we provide a conceptual background of virtual rehearsal principle and how the principle has been applied in designing the information interfaces and presentation of a persuasive multimedia learning environment (PMLE). Secondly, the research design was administered to measure the effects of the PMLE in reducing children dental anxiety. Primary school children age between seven and nine years old are selected as respondents. Thirdly, the result of the study has revealed the feedback from children regarding baseline test and children dental anxiety test. The results on presenting this PMLE to primary school children show how it was able to reduce children dental anxiety and could let the children have a "mentally-prepared" condition for dental visit in the future.

Bäcklund transformations for the Boussinesq equation and merging solitons

NASA Astrophysics Data System (ADS)

Rasin, Alexander G.; Schiff, Jeremy

2017-08-01

The Bäcklund transformation (BT) for the ‘good’ Boussinesq equation and its superposition principles are presented and applied. Unlike other standard integrable equations, the Boussinesq equation does not have a strictly algebraic superposition principle for 2 BTs, but it does for 3. We present this and discuss associated lattice systems. Applying the BT to the trivial solution generates both standard solitons and what we call ‘merging solitons’—solutions in which two solitary waves (with related speeds) merge into a single one. We use the superposition principles to generate a variety of interesting solutions, including superpositions of a merging soliton with 1 or 2 regular solitons, and solutions that develop a singularity in finite time which then disappears at a later finite time. We prove a Wronskian formula for the solutions obtained by applying a general sequence of BTs on the trivial solution. Finally, we obtain the standard conserved quantities of the Boussinesq equation from the BT, and show how the hierarchy of local symmetries follows in a simple manner from the superposition principle for 3 BTs.

Time–temperature superposition principle applied to a kenaf-fiber/high-density polyethylene composite

Treesearch

Mehdi Tajvidi; Robert H. Falk; John C. Hermanson

2005-01-01

The time–temperature superposition principle was applied to the viscoelastic properties of a kenaf- fiber/high-density polyethylene (HDPE) composite, and its validity was tested. With a composite of 50% kenaf fibers, 48% HDPE, and 2% compatibilizer, frequency scans from a dynamic mechanical analyzer were performed in the range of 0.1–10 Hz at five different...

Introduction to Command, Control and Communications (C3) Through Comparative Case Analysis

DTIC Science & Technology

1990-03-01

enhancing the process of learning from experience. Case study allows the student to apply concepts , theories, and techniques to an actual incident within...part of the thesis describes selected principles and concepts of 33 related to cormruication management, interoperability, command structure and...The solutions to the cases require applying the principles and concepts presented in the first rart. The four cases are: (1) the Iran hostage rescue

Total Quality Leadership as it Applies to the Surface Navy

DTIC Science & Technology

1990-12-01

with statistical control methods. Dr. Deming opened the eyes of the Japanese. They embraced his ideas and accepted his 14 principles of management shown...move closer to fully embracing Deming’s fourteen principles of management . 3. Shipboard Leadership Compared To TQL Many activities on board Navy ships...The results of the comparison of Deming’s principles of management and the Navalized TQL principles show both similar- ities and differences do appear

A Novel Physical Sensing Principle for Liquid Characterization Using Paper-Based Hygro-Mechanical Systems (PB-HMS).

PubMed

Perez-Cruz, Angel; Stiharu, Ion; Dominguez-Gonzalez, Aurelio

2017-07-20

In recent years paper-based microfluidic systems have emerged as versatile tools for developing sensors in different areas. In this work; we report a novel physical sensing principle for the characterization of liquids using a paper-based hygro-mechanical system (PB-HMS). The PB-HMS is formed by the interaction of liquid droplets and paper-based mini-structures such as cantilever beams. The proposed principle takes advantage of the hygroscopic properties of paper to produce hygro-mechanical motion. The dynamic response of the PB-HMS reveals information about the tested liquid that can be applied to characterize certain properties of liquids. A suggested method to characterize liquids by means of the proposed principle is introduced. The experimental results show the feasibility of such a method. It is expected that the proposed principle may be applied to sense properties of liquids in different applications where both disposability and portability are of extreme importance.

Ecological principles, biodiversity, and the electric utility industry

NASA Astrophysics Data System (ADS)

Temple, Stanley A.

1996-11-01

The synthetic field of conservation biology uses principles derived from many different disciplines to address biodiversity issues. Many of these principles have come from ecology, and two simple ones that seem to relate to many issues involving the utility industry are: (1) “Everything is interconnected” (and should usually stay that way), and (2) “We can never do merely one thing.” The first principle can be applied to both the biotic and physical environments that are impacted by industrial activities. Habitat fragmentation and the loss of physical and biotic connectedness that results are frequently associated with transmission rights-of-way. These problems can be reduced—or even turned into conservation benefits—by careful planning and creative management. The second principle applies to the utility industry's programs to deal with carbon released by burning fossil fuels. Ecological knowledge can allow these programs to contribute to the preservation of biodiversity in addition to addressing a pollution problem. Without careful ecological analyses, industry could easily create new problems while implementing solutions to old ones.

Time-Resolved Magnetic Field Effects Distinguish Loose Ion Pairs from Exciplexes

PubMed Central

2013-01-01

We describe the experimental investigation of time-resolved magnetic field effects in exciplex-forming organic donor–acceptor systems. In these systems, the photoexcited acceptor state is predominantly deactivated by bimolecular electron transfer reactions (yielding radical ion pairs) or by direct exciplex formation. The delayed fluorescence emitted by the exciplex is magnetosensitive if the reaction pathway involves loose radical ion pair states. This magnetic field effect results from the coherent interconversion between the electronic singlet and triplet radical ion pair states as described by the radical pair mechanism. By monitoring the changes in the exciplex luminescence intensity when applying external magnetic fields, details of the reaction mechanism can be elucidated. In this work we present results obtained with the fluorophore-quencher pair 9,10-dimethylanthracene/N,N-dimethylaniline (DMA) in solvents of systematically varied permittivity. A simple theoretical model is introduced that allows discriminating the initial state of quenching, viz., the loose ion pair and the exciplex, based on the time-resolved magnetic field effect. The approach is validated by applying it to the isotopologous fluorophore-quencher pairs pyrene/DMA and pyrene-d10/DMA. We detect that both the exciplex and the radical ion pair are formed during the initial quenching stage. Upon increasing the solvent polarity, the relative importance of the distant electron transfer quenching increases. However, even in comparably polar media, the exciplex pathway remains remarkably significant. We discuss our results in relation to recent findings on the involvement of exciplexes in photoinduced electron transfer reactions. PMID:24041160

Phase coexistence and electric-field control of toroidal order in oxide superlattices.

PubMed

Damodaran, A R; Clarkson, J D; Hong, Z; Liu, H; Yadav, A K; Nelson, C T; Hsu, S-L; McCarter, M R; Park, K-D; Kravtsov, V; Farhan, A; Dong, Y; Cai, Z; Zhou, H; Aguado-Puente, P; García-Fernández, P; Íñiguez, J; Junquera, J; Scholl, A; Raschke, M B; Chen, L-Q; Fong, D D; Ramesh, R; Martin, L W

2017-10-01

Systems that exhibit phase competition, order parameter coexistence, and emergent order parameter topologies constitute a major part of modern condensed-matter physics. Here, by applying a range of characterization techniques, and simulations, we observe that in PbTiO 3 /SrTiO 3 superlattices all of these effects can be found. By exploring superlattice period-, temperature- and field-dependent evolution of these structures, we observe several new features. First, it is possible to engineer phase coexistence mediated by a first-order phase transition between an emergent, low-temperature vortex phase with electric toroidal order and a high-temperature ferroelectric a 1 /a 2 phase. At room temperature, the coexisting vortex and ferroelectric phases form a mesoscale, fibre-textured hierarchical superstructure. The vortex phase possesses an axial polarization, set by the net polarization of the surrounding ferroelectric domains, such that it possesses a multi-order-parameter state and belongs to a class of gyrotropic electrotoroidal compounds. Finally, application of electric fields to this mixed-phase system permits interconversion between the vortex and the ferroelectric phases concomitant with order-of-magnitude changes in piezoelectric and nonlinear optical responses. Our findings suggest new cross-coupled functionalities.

Phase coexistence and electric-field control of toroidal order in oxide superlattices

NASA Astrophysics Data System (ADS)

Damodaran, A. R.; Clarkson, J. D.; Hong, Z.; Liu, H.; Yadav, A. K.; Nelson, C. T.; Hsu, S.-L.; McCarter, M. R.; Park, K.-D.; Kravtsov, V.; Farhan, A.; Dong, Y.; Cai, Z.; Zhou, H.; Aguado-Puente, P.; García-Fernández, P.; Íñiguez, J.; Junquera, J.; Scholl, A.; Raschke, M. B.; Chen, L.-Q.; Fong, D. D.; Ramesh, R.; Martin, L. W.

2017-10-01

Systems that exhibit phase competition, order parameter coexistence, and emergent order parameter topologies constitute a major part of modern condensed-matter physics. Here, by applying a range of characterization techniques, and simulations, we observe that in PbTiO3/SrTiO3 superlattices all of these effects can be found. By exploring superlattice period-, temperature- and field-dependent evolution of these structures, we observe several new features. First, it is possible to engineer phase coexistence mediated by a first-order phase transition between an emergent, low-temperature vortex phase with electric toroidal order and a high-temperature ferroelectric a1/a2 phase. At room temperature, the coexisting vortex and ferroelectric phases form a mesoscale, fibre-textured hierarchical superstructure. The vortex phase possesses an axial polarization, set by the net polarization of the surrounding ferroelectric domains, such that it possesses a multi-order-parameter state and belongs to a class of gyrotropic electrotoroidal compounds. Finally, application of electric fields to this mixed-phase system permits interconversion between the vortex and the ferroelectric phases concomitant with order-of-magnitude changes in piezoelectric and nonlinear optical responses. Our findings suggest new cross-coupled functionalities.

Phase coexistence and electric-field control of toroidal order in oxide superlattices

DOE PAGES

Damodaran, A. R.; Clarkson, J. D.; Hong, Z.; ...

2017-08-07

Systems that exhibit phase competition, order parameter coexistence, and emergent order parameter topologies constitute a major part of modern condensed-matter physics. Here, by applying a range of characterization techniques, and simulations, we observe that in PbTiO 3/SrTiO 3 superlattices all of these effects can be found. By exploring superlattice period-, temperature- and field-dependent evolution of these structures, we observe several new features. First, it is possible to engineer phase coexistence mediated by a first-order phase transition between an emergent, low-temperature vortex phase with electric toroidal order and a high-temperature ferroelectric a 1/a 2 phase. At room temperature, the coexisting vortexmore » and ferroelectric phases form a mesoscale, fibre-textured hierarchical superstructure. The vortex phase possesses an axial polarization, set by the net polarization of the surrounding ferroelectric domains, such that it possesses a multi-order-parameter state and belongs to a class of gyrotropic electrotoroidal compounds. Finally, application of electric fields to this mixed-phase system permits interconversion between the vortex and the ferroelectric phases concomitant with order-of-magnitude changes in piezoelectric and nonlinear optical responses. Here, our findings suggest new cross-coupled functionalities.« less

Do TFSA anions slither? Pressure exposes the role of TFSA conformational exchange in self-diffusion

DOE PAGES

Suarez, Sophia N.; Wishart, James F.; Rua, Armando; ...

2015-10-28

Multi-nuclear ( 1H, 2H, and 19F) magnetic resonance spectroscopy techniques as functions of temperature and pressure were applied to the study of selectively deuterated 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide (EMIM TFSA) ionic liquid isotopologues and related ionic liquids. For EMIM TFSA, temperature-dependent 2H T 1 data indicate stronger electric field gradients in the alkyl chain region compared to the imidazolium ring. Most significantly, the pressure dependences of the EMIM and TFSA self-diffusion coefficients revealed that the displacements of the cations and anions are independent, with diffusion of the TFSA anions being slowed much more by increasing pressure than for the EMIM cations, asmore » shown by their respective activation volumes (28.8 ± 2.5 cm³/mol for TFSA vs. 14.6 ± 1.3 cm³/mol for EMIM). Increasing pressure may lower the mobility of the TFSA anion by hindering its interconversion between trans and cis conformers, a process that is coupled to diffusion according to published molecular dynamics simulations. Measured activation volumes (ΔV ‡) for ion self-diffusion in EMIM bis(fluoromethylsulfonyl)amide and EMIM tetrafluoroborate support this hypothesis.« less

Do TFSA anions slither? Pressure exposes the role of TFSA conformational exchange in self-diffusion

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

Suarez, Sophia N.; Wishart, James F.; Rua, Armando

Multi-nuclear ( 1H, 2H, and 19F) magnetic resonance spectroscopy techniques as functions of temperature and pressure were applied to the study of selectively deuterated 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide (EMIM TFSA) ionic liquid isotopologues and related ionic liquids. For EMIM TFSA, temperature-dependent 2H T 1 data indicate stronger electric field gradients in the alkyl chain region compared to the imidazolium ring. Most significantly, the pressure dependences of the EMIM and TFSA self-diffusion coefficients revealed that the displacements of the cations and anions are independent, with diffusion of the TFSA anions being slowed much more by increasing pressure than for the EMIM cations, asmore » shown by their respective activation volumes (28.8 ± 2.5 cm³/mol for TFSA vs. 14.6 ± 1.3 cm³/mol for EMIM). Increasing pressure may lower the mobility of the TFSA anion by hindering its interconversion between trans and cis conformers, a process that is coupled to diffusion according to published molecular dynamics simulations. Measured activation volumes (ΔV ‡) for ion self-diffusion in EMIM bis(fluoromethylsulfonyl)amide and EMIM tetrafluoroborate support this hypothesis.« less

Determination of hexavalent chromium in traditional Chinese medicines by high-performance liquid chromatography with inductively coupled plasma mass spectrometry.

PubMed

Li, Peng; Li, Li-Min; Xia, Jing; Cao, Shuai; Hu, Xin; Lian, Hong-Zhen; Ji, Shen

2015-12-01

An analytical method that combined high-performance liquid chromatography with inductively coupled plasma mass spectrometry has been developed for the determination of hexavalent chromium in traditional Chinese medicines. Hexavalent chromium was extracted using the alkaline solution. The parameters such as the concentration of alkaline and the extraction temperature have been optimized to minimize the interconversion between trivalent chromium and hexavalent chromium. The extracted hexavalent chromium was separated on a weak anion exchange column in isocratic mode, followed by inductively coupled plasma mass spectrometry determination. To obtain a better chromatographic resolution and sensitivity, 75 mM NH4 NO3 at pH 7 was selected as the mobile phase. The linearity of the proposed method was investigated in the range of 0.2-5.0 μg L(-1) (r(2) = 0.9999) for hexavalent chromium. The limits of detection and quantitation are 0.1 and 0.3 μg L(-1) , respectively. The developed method was successfully applied to the determination of hexavalent chromium in Chloriti lapis and Lumbricus with satisfactory recoveries of 95.8-112.8%. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Structural and Kinetic Characterization of the Intrinsically Disordered Protein SeV NTAIL through Enhanced Sampling Simulations.

PubMed

Bernetti, Mattia; Masetti, Matteo; Pietrucci, Fabio; Blackledge, Martin; Jensen, Malene Ringkjobing; Recanatini, Maurizio; Mollica, Luca; Cavalli, Andrea

2017-10-19

Intrinsically disordered proteins (IDPs) are emerging as an important class of the proteome. Being able to interact with different molecular targets, they participate in many physiological and pathological activities. However, due to their intrinsically heterogeneous nature, determining the equilibrium properties of IDPs is still a challenge for biophysics. Herein, we applied state-of-the-art enhanced sampling methods to Sev N TAIL , a test case of IDPs, and constructed a bin-based kinetic model to unveil the underlying kinetics. To validate our simulation strategy, we compared the predicted NMR properties against available experimental data. Our simulations reveal a rough free-energy surface comprising multiple local minima, which are separated by low energy barriers. Moreover, we identified interconversion rates between the main kinetic states, which lie in the sub-μs time scales, as suggested in previous works for Sev N TAIL . Therefore, the emerging picture is in agreement with the atomic-level properties possessed by the free IDP in solution. By providing both a thermodynamic and kinetic characterization of this IDP test case, our study demonstrates how computational methods can be effective tools for studying this challenging class of proteins.

Centralization and Experimentation in the Implementation of a National Monitoring and Evaluation System: The Experience of Malawi.

ERIC Educational Resources Information Center

Useem, Michael; Chipande, Graham

1991-01-01

To identify general principles of implementing a system of evaluation, the experience of Malawi in building a national system for agriculture is described. Applying principles of both centralization and decentralization and principles of trial and error has helped translate theories of evaluation into practice in Malawi. (SLD)

Mahan for the Twenty First Century: His Principles Still Apply to National Power

DTIC Science & Technology

2003-01-01

adherence to his principles. Mahan was not able to envision air power, space power, or information dominance as critical elements of national power...But he was an astute scholar, and the principles that he outlined as requirements for sea power are still relevant today to air power, space power, and information dominance .

An Application of Total Quality Principles in Transforming the Culture of Classrooms

ERIC Educational Resources Information Center

Algozzine, Bob; Audette, Robert H.; Marr, Mary Beth; Algozzine, Kate

2005-01-01

During the 1990s, many public schools began to apply the principles of Total Quality Management. As they moved ahead, they discovered that most of the separate principles that comprise Total Quality Management are not new to public education. Theories and practices using similar and related ideas have been championed by educators for generations.…

Erickson for Counselors and Educators: A Review and Practical Application of Six Treatment Principles.

ERIC Educational Resources Information Center

Sahlin, Francine C.

1987-01-01

Six treatment principles of Milton Erickson, physician and hypnotherapist, are applied to counselors and educators. Principles include: (1) People are always responding, always communicating. (2) Respect all messages from the client. (3) People make the best choice for themselves at any given moment. (4) Teach choice; never attempt to take choice…

Special Relativity in Week One: 1) The Principle of Relativity

ERIC Educational Resources Information Center

Huggins, Elisha

2011-01-01

We like to begin an introductory physics course with a law of physics that applies to everything, has no known exceptions, and whose consequences are already familiar to students. That law is the principle of relativity. By focusing on the principle of relativity itself, and a careful selection of the thought experiments, we can comfortably…

The Stratigraphic Sandwich. An Inquiry-Based Lesson on Geologic Principles

ERIC Educational Resources Information Center

Hermann, Ronald S.; Miranda, Rommel J.

2013-01-01

This article describes an approach in which students develop and apply definitions prior to their formal introduction to new vocabulary. The example given is an inquiry-based lesson on geologic principles. This approach is illustrated with a lesson that has been used with high school Earth science students on the principles of stratigraphy, though…

Mastering the Concepts of Geologic Time: Novice Students' Understanding of the Principles of Relative Age

NASA Astrophysics Data System (ADS)

Speta, M.; Reid, L.

2010-12-01

Misconceptions can adversely affect students’ mastery of the fundamental geoscience concepts necessary for development of the knowledge base required to become a professional geoscientist. In the fall of 2009, in-class learning assessments were introduced into a large (400 student) undergraduate introductory geoscience course to help students develop expert-like problem solving skills for geologic problems. They were also designed to reveal students’ misconceptions on geoscience concepts in order to help direct the course of instruction. These assessments were based on simple, real-world scenarios that geoscientists encounter in their research. One of these assessments focused on the application of concepts of geologic time. It asked students to give the relative ages of granite, schist and shale based on a sketch of two outcrops, and to describe the reasoning behind their answer. In order to test all of the principles of relative age, the assignment had two possible solutions. A post-course analysis of student responses on these assessments was carried out using a modified constant comparative analysis method to identify common misconceptions. This analysis revealed that 61% of students failed to identify both possible solutions. Furthermore, 55% of students applied the principle of superposition to intrusive igneous and metamorphic rocks, and 18% treated the once connected outcrops as having separate geologic histories. 56% of students could not support their proposed geologic history with appropriate reasoning. These results suggest that the principles of relative geologic time that students had the greatest difficulty with were when to apply the principle of superposition and how to apply the principle of original continuity. Students also had difficulty using the principles of relative age to provide appropriate scientific reasoning for their choices.

Static and dynamic stereochemistry of the conformational atropisomers of tetra(o-tolyl)benzene.

PubMed

Lunazzi, Lodovico; Mazzanti, Andrea; Minzoni, Mirko

2005-11-25

[graph: see text] Whereas only one atropisomer of 1,2,4,5-tetra(o-tolyl)benzene was observed by X-ray diffraction in the solid, five conformational atropisomers were detected by low-temperature NMR in solution. Their structures were assigned by a combination of NOE experiments, solvent effect, and ab initio calculations. Variable temperature dynamic NMR and bidimensional EXSY experiments allowed the barrier for the interconversion of these atropisomers to be determined (deltaG(double dagger) = 15.3 kcal mol(-1)).

Proof of Concept for Efficient Application of Quantum Chemical Techniques to Model Enviromental Mercury Depletion Reactions Through Transition State Theory

DTIC Science & Technology

2018-01-02

Army Research Office P.O. Box 12211 Research Triangle Park, NC 27709-2211 REPORT DOCUMENTATION PAGE 11. SPONSOR/MONITOR’S REPORT NUMBER(S) 10...Collaborators: Award Information Award Number ARO W911NF-16-1-0486 Title of Research Proof of Concept for Efficient Application of Quantum...figure out the feasibility of the interconversion between the two forms of mercury. For this purpose, we mainly deal with the experimental studies of

Quantum rotation of ortho and para-water encapsulated in a fullerene cage

PubMed Central

Beduz, Carlo; Carravetta, Marina; Chen, Judy Y.-C.; Concistrè, Maria; Denning, Mark; Frunzi, Michael; Horsewill, Anthony J.; Johannessen, Ole G.; Lawler, Ronald; Lei, Xuegong; Levitt, Malcolm H.; Li, Yongjun; Mamone, Salvatore; Murata, Yasujiro; Nagel, Urmas; Nishida, Tomoko; Ollivier, Jacques; Rols, Stéphane; Rõõm, Toomas; Sarkar, Riddhiman; Turro, Nicholas J.; Yang, Yifeng

2012-01-01

Inelastic neutron scattering, far-infrared spectroscopy, and cryogenic nuclear magnetic resonance are used to investigate the quantized rotation and ortho–para conversion of single water molecules trapped inside closed fullerene cages. The existence of metastable ortho-water molecules is demonstrated, and the interconversion of ortho-and para-water spin isomers is tracked in real time. Our investigation reveals that the ground state of encapsulated ortho water has a lifted degeneracy, associated with symmetry-breaking of the water environment. PMID:22837402

Forensic psychiatry, one subspecialty with two ethics? A systematic review.

PubMed

Niveau, Gérard; Welle, Ida

2018-04-10

Forensic psychiatry is a particular subspecialty within psychiatry, dedicated in applying psychiatric knowledge and psychiatric training for particular legal purposes. Given that within the scope of forensic psychiatry, a third party usually intervenes in the patient-doctor relationship, an amendment of the traditional ethical principles seems justified. Thus, 47 articles, two book chapters and the guidelines produced by the World Psychiatric Association, the American Association of Psychiatry and the Law, as well as by the Royal Australian and New Zealand College of psychiatrists, were analyzed. The review revealed that the ethics of correctional forensic psychiatry and those of legal forensic psychiatry do not markedly differ from each other, but they are incongruent in terms of implementation. In an effort to better understand which ethical principles apply to forensic psychiatry, a chronological review of the literature published from 1950 to 2015 was carried out. The ethics of correctional forensic psychiatry are primarily deontological. The principle of justice translates into the principle of health care equivalence, the principle of beneficence into providing the best possible care to patients, and the principle of respect of autonomy into ensuring confidentiality and informed consent. The ethics of legal forensic psychiatry are rather consequentialist. In this latter setting, the principle of justice is mainly characterized by professionalism, the principle of beneficence by objectivity and impartiality, and the principle of respect of autonomy by informed consent. However, these two distinct fields of forensic psychiatry share in common the principle of non maleficence, defined as the non collaboration of the psychiatrist in any activity leading to inhuman and degrading treatment or to the death penalty.

Steeling the Mind. Combat Stress Reactions and Their Implications for Urban Warfare

DTIC Science & Technology

2004-01-01

65 Contents vii CHAPTER FIVE Reversing the Tide: Treatment Principles for Battle Fatigue ............ 69 Sym ptom s and D iagnosis...Same Principles Still Apply ............ 80 Urban-Specific Applications .............................................. 84 T he Success of PIES...PIES) was subsequently coined to summarize these principles . Forgetful of French, British, and American hard-earned lessons, the U.S. military in

Creating Feedback Channels With Optical Communications For Information Operations (IO)

DTIC Science & Technology

2016-06-01

amphibious operations. Optical communications technologies, direct marketing principles , and current IO shortfalls are explored to determine whether...technology. First, these concepts are applied to show covert amphibious operations. Optical communications technologies, direct marketing principles , and...power, as per Appendix A. A major portion of the marketing campaign comes in the form of advertising. The correlating principles of advertising in

Disturbance, the uncertainty principle and quantum optics

NASA Technical Reports Server (NTRS)

Martens, Hans; Demuynck, Willem M.

1993-01-01

It is shown how a disturbance-type uncertainty principle can be derived from an uncertainty principle for joint measurements. To achieve this, we first clarify the meaning of 'inaccuracy' and 'disturbance' in quantum mechanical measurements. The case of photon number and phase is treated as an example, and it is applied to a quantum non-demolition measurement using the optical Kerr effect.

Applied Technology Proficiency of High School Students in Applied and Traditional Courses

ERIC Educational Resources Information Center

Field, Dennis W.

2003-01-01

This investigation compares applied technology skill levels of high school students enrolled in various applied and comparable traditional courses, particularly Principles of Technology and physics courses respectively. Outcomes from ACT's Applied Technology Work Keys[R] assessment test were used as a measure of applied technology skill levels.…

Improving quality of care in substance abuse treatment using five key process improvement principles

PubMed Central

Hoffman, Kim A.; Green, Carla A.; Ford, James H.; Wisdom, Jennifer P.; Gustafson, David H.; McCarty, Dennis

2012-01-01

Process and quality improvement techniques have been successfully applied in health care arenas, but efforts to institute these strategies in alcohol and drug treatment are underdeveloped. The Network for the Improvement of Addiction Treatment (NIATx) teaches participating substance abuse treatment agencies to use process improvement strategies to increase client access to, and retention in, treatment. NIATx recommends five principles to promote organizational change: 1) Understand and involve the customer; 2) Fix key problems; 3) Pick a powerful change leader; 4) Get ideas from outside the organization; and 5) Use rapid-cycle testing. Using case studies, supplemented with cross-agency analyses of interview data, this paper profiles participating NIATx treatment agencies that illustrate application of each principle. Results suggest that the most successful organizations integrate and apply most, if not all, of the five principles as they develop and test change strategies. PMID:22282129

The Precautionary Principle and the Tolerability of Blood Transfusion Risks.

PubMed

Kramer, Koen; Zaaijer, Hans L; Verweij, Marcel F

2017-03-01

Tolerance for blood transfusion risks is very low, as evidenced by the implementation of expensive blood tests and the rejection of gay men as blood donors. Is this low risk tolerance supported by the precautionary principle, as defenders of such policies claim? We discuss three constraints on applying (any version of) the precautionary principle and show that respecting these implies tolerating certain risks. Consistency means that the precautionary principle cannot prescribe precautions that it must simultaneously forbid taking, considering the harms they might cause. Avoiding counterproductivity requires rejecting precautions that cause more harm than they prevent. Proportionality forbids taking precautions that are more harmful than adequate alternatives. When applying these constraints, we argue, attention should not be restricted to harms that are human caused or that affect human health or the environment. Tolerating transfusion risks can be justified if available precautions have serious side effects, such as high social or economic costs.

Virtual data

NASA Astrophysics Data System (ADS)

Bjorklund, E.

1994-12-01

In the 1970s, when computers were memory limited, operating system designers created the concept of "virtual memory", which gave users the ability to address more memory than physically existed. In the 1990s, many large control systems have the potential of becoming data limited. We propose that many of the principles behind virtual memory systems (working sets, locality, caching and clustering) can also be applied to data-limited systems, creating, in effect, "virtual data systems". At the Los Alamos National Laboratory's Clinton P. Anderson Meson Physics Facility (LAMPF), we have applied these principles to a moderately sized (10 000 data points) data acquisition and control system. To test the principles, we measured the system's performance during tune-up, production, and maintenance periods. In this paper, we present a general discussion of the principles of a virtual data system along with some discussion of our own implementation and the results of our performance measurements.

Applying bioethical principles to human biomonitoring.

PubMed

Harrison, Myron

2008-06-05

Bioethical principles are widely used as a normative framework in areas of human research and medical care. In recent years there has been increasing formalization of their use in public health decisions. The "traditional bioethical principles" are applied in this discussion to the important issue human biomonitoring for environmental exposures. They are: (1) Autonomy--Also known as the "respect for humans" principle, people understand their own best interests; (2) Beneficence--"do good" for people; (3) Nonmaleficence--"do no harm"; (4) Justice--fair distribution of benefits and costs (including risks to health) across stakeholders.Some of the points made are: (1) There is not a single generic bioethical analysis applicable to the use of human biomonitoring data, each specific use requires a separate deliberation; (2) Using unidentified, population-based biomonitoring information for risk assessment or population surveillance raises fewer bioethical concerns than personally identified biomonitoring information such as employed in health screening; (3) Companies should proactively apply normative bioethical principles when considering the disposition of products and by-products in the environment and humans; (4) There is a need for more engagement by scholars on the bioethical issues raised by the use of biomarkers of exposure; (5) Though our scientific knowledge of biology will continue to increase, there will always be a role for methods or frameworks to resolve substantive disagreements in the meaning of this data that are matters of belief rather than knowledge.

Applying bioethical principles to human biomonitoring

PubMed Central

Harrison, Myron

2008-01-01

Bioethical principles are widely used as a normative framework in areas of human research and medical care. In recent years there has been increasing formalization of their use in public health decisions. The "traditional bioethical principles" are applied in this discussion to the important issue human biomonitoring for environmental exposures. They are: (1) Autonomy – Also known as the "respect for humans" principle, people understand their own best interests; (2) Beneficence – "do good" for people; (3) Nonmaleficence – "do no harm"; (4) Justice – fair distribution of benefits and costs (including risks to health) across stakeholders. Some of the points made are: (1) There is not a single generic bioethical analysis applicable to the use of human biomonitoring data, each specific use requires a separate deliberation; (2) Using unidentified, population-based biomonitoring information for risk assessment or population surveillance raises fewer bioethical concerns than personally identified biomonitoring information such as employed in health screening; (3) Companies should proactively apply normative bioethical principles when considering the disposition of products and by-products in the environment and humans; (4) There is a need for more engagement by scholars on the bioethical issues raised by the use of biomarkers of exposure; (5) Though our scientific knowledge of biology will continue to increase, there will always be a role for methods or frameworks to resolve substantive disagreements in the meaning of this data that are matters of belief rather than knowledge. PMID:18541074

Distinguishing genetics and eugenics on the basis of fairness.

PubMed Central

Ledley, F D

1994-01-01

There is concern that human applications of modern genetic technologies may lead inexorably to eugenic abuse. To prevent such abuse, it is essential to have clear, formal principles as well as algorithms for distinguishing genetics from eugenics. This work identifies essential distinctions between eugenics and genetics in the implied nature of the social contract and the importance ascribed to individual welfare relative to society. Rawls's construction of 'justice as fairness' is used as a model for how a formal systems of ethics can be used to proscribe eugenic practices. Rawls's synthesis can be applied to this problem if it is assumed that in the original condition all individuals are ignorant of their genetic constitution and unwilling to consent to social structures which may constrain their own potential. The principles of fairness applied to genetics requires that genetic interventions be directed at extending individual liberties and be applied to the greatest benefit of individuals with the least advantages. These principles are incompatible with negative eugenics which would further penalize those with genetic disadvantage. These principles limit positive eugenics to those practices which are designed to provide absolute benefit to those individuals with least advantage, are acceptable to its subjects, and further a system of basic equal liberties. This analysis also illustrates how simple deviations from first principles in Rawls's formulation could countenance eugenic applications of genetic technologies. PMID:7996561

Nearfield acoustic holography. I - Theory of generalized holography and the development of NAH

NASA Technical Reports Server (NTRS)

Maynard, J. D.; Williams, E. G.; Lee, Y.

1985-01-01

Because its underlying principles are so fundamental, holography has been studied and applied in many areas of science. Recently, a technique has been developed which takes the maximum advantage of the fundamental principles and extracts much more information from a hologram than is customarily associated with such a measurement. In this paper the fundamental principles of holography are reviewed, and a sound radiation measurement system, called nearfield acoustic holography (NAH), which fully exploits the fundamental principles, is described.

Coupled fluid-structure interaction. Part 1: Theory. Part 2: Application

NASA Technical Reports Server (NTRS)

Felippa, Carlos A.; Ohayon, Roger

1991-01-01

A general three dimensional variational principle is obtained for the motion of an acoustic field enclosed in a rigid or flexible container by the method of canonical decomposition applied to a modified form of the wave equation in the displacement potential. The general principle is specialized to a mixed two-field principle that contains the fluid displacement potential and pressure as independent fields. Semidiscrete finite element equations of motion based on this principle are derived and sample cases are given.

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

Greitzer, Frank L.; Kuchar, Olga A.; Huston, Kristy A.

Serious games use entertainment principles, creativity, and technology to meet government or corporate training objectives, but these principles alone will not guarantee that the intended learning will occur. To be effective, serious games must incorporate sound cognitive, learning, and pedagogical principles into their design and structure. In this paper, we review cognitive principles that can be applied to improve the training effectiveness in serious games and we describe a process we used to design improvements for an existing game-based training application in the domain of cyber security education.

Twenty cultural and learning principles to guide the development of pharmacy curriculum in Pacific Island countries.

PubMed

Brown, Andrew N; McCormack, Coralie

2014-01-01

A lack of education capacity to support the development of medical supply management competency is a major issue affecting Pacific Islands countries (PICs). Limited human resources and underdeveloped medicines supply management competency are two significant impediments to reaching the health-related Millennium Development Goals in many countries in this rural and remote region. Two recent review publications have provided relevant background documenting factors affecting learning and teaching. These articles have presented available information regarding competency and training requirements for health personnel involved in essential medicine supply management in the region. This background research has provided a platform from which tangible principles can be developed to aid educators and professionals in PICs in the development and delivery of appropriate pharmacy curriculum. Specifically the aim of the present article is to identify culturally meaningful learning and teaching principles to guide the development and delivery of pharmaceutical curriculum in PICs. Subsequently, this information will be applied to develop and trial new pedagogical approaches to the training of health personnel involved in essential medicines supply management, to improve medicine availability for patients in their own environment. This article forms part of a wider research project involving the United Nations Population Fund Suva subregional office, the University of Canberra, Ministry of Health officials and health personnel within identified PICs. Two previous reviews, investigating Pacific culture, learning approaches, and training requirements affecting pharmaceutical personnel, were synthesised into a set of principles that could be applied to the development of pharmaceutical curriculum. These principles were validated through focus groups of health personnel using action research methods. An initial set of 16 principles was developed from the synthesis of the two reviews. These principles were reviewed by two focus groups held in Fiji and the Solomon Islands to produce a set of 20 validated principles. These validated principles can be grouped under the headings of learning theory, structure and design, and learning and teaching methods. The 20 principles outlined in this article will be used to develop and trial culturally relevant training approaches for the development of medicine management competencies for various cadres of health personnel in PICs. These principles provide a practical framework for educators and health professionals to apply to health-based education and training in the Pacific, with potential application to other rural and remote environments.

Departing from PowerPoint default mode: Applying Mayer's multimedia principles for enhanced learning of parasitology.

PubMed

Nagmoti, Jyoti Mahantesh

2017-01-01

PowerPoint (PPT™) presentation has become an integral part of day-to-day teaching in medicine. Most often, PPT™ is used in its default mode which in fact, is known to cause boredom and ineffective learning. Research has shown improved short-term memory by applying multimedia principles for designing and delivering lectures. However, such evidence in medical education is scarce. Therefore, we attempted to evaluate the effect of multimedia principles on enhanced learning of parasitology. Second-year medical students received a series of lectures, half of the lectures used traditionally designed PPT™ and the rest used slides designed by Mayer's multimedia principles. Students answered pre and post-tests at the end of each lecture (test-I) and an essay test after six months (test-II) which assessed their short and long term knowledge retention respectively. Students' feedback on quality and content of lectures were collected. Statistically significant difference was found between post test scores of traditional and modified lectures (P = 0.019) indicating, improved short-term memory after modified lectures. Similarly, students scored better in test II on the contents learnt through modified lectures indicating, enhanced comprehension and improved long-term memory (P < 0.001). Many students appreciated learning through multimedia designed PPT™ and suggested for their continued use. It is time to depart from default PPT™ and adopt multimedia principles to enhance comprehension and improve short and long term knowledge retention. Further, medical educators may be trained and encouraged to apply multimedia principles for designing and delivering effective lectures.

One EPA Web Principles that Guide Content Development

EPA Pesticide Factsheets

The principles of One EPA Web can be applied to better meet the needs and expectations of our audiences, fit their information-seeking behavior, and help them accomplish tasks. Learn about the five paths forward for transforming web content.

Content Analysis and Readibility Formulas as Applied To The Accounting Principles Board "Opinions"

ERIC Educational Resources Information Center

Stead, Bette Ann

1977-01-01

Discusses a study analyzing twenty-four of the Accounting Principles Board "Opinions" (APB Opinions) and concludes that the APB context is very difficult to read and understand for both accounting and nonaccounting majors. (MH)

The thermodynamic efficiency of ATP synthesis in oxidative phosphorylation.

PubMed

Nath, Sunil

2016-12-01

As the chief energy source of eukaryotic cells, it is important to determine the thermodynamic efficiency of ATP synthesis in oxidative phosphorylation (OX PHOS). Previous estimates of the thermodynamic efficiency of this vital process have ranged from Lehninger's original back-of-the-envelope calculation of 38% to the often quoted value of 55-60% in current textbooks of biochemistry, to high values of 90% from recent information theoretic considerations, and reports of realizations of close to ideal 100% efficiencies by single molecule experiments. Hence this problem has been reinvestigated from first principles. The overall thermodynamic efficiency of ATP synthesis in the mitochondrial energy transduction OX PHOS process has been found to lie between 40 and 41% from four different approaches based on a) estimation using structural and biochemical data, b) fundamental nonequilibrium thermodynamic analysis, c) novel insights arising from Nath's torsional mechanism of energy transduction and ATP synthesis, and d) the overall balance of cellular energetics. The torsional mechanism also offers an explanation for the observation of a thermodynamic efficiency approaching 100% in some experiments. Applications of the unique, molecular machine mode of functioning of F 1 F O -ATP synthase involving direct inter-conversion of chemical and mechanical energies in the design and fabrication of novel, man-made mechanochemical devices have been envisaged, and some new ways to exorcise Maxwell's demon have been proposed. It is hoped that analysis of the fundamental problem of energy transduction in OX PHOS from a fresh perspective will catalyze new avenues of research in this interdisciplinary field. Copyright © 2016 Elsevier B.V. All rights reserved.

Evolutionary principles and their practical application

PubMed Central

Hendry, Andrew P; Kinnison, Michael T; Heino, Mikko; Day, Troy; Smith, Thomas B; Fitt, Gary; Bergstrom, Carl T; Oakeshott, John; Jørgensen, Peter S; Zalucki, Myron P; Gilchrist, George; Southerton, Simon; Sih, Andrew; Strauss, Sharon; Denison, Robert F; Carroll, Scott P

2011-01-01

Evolutionary principles are now routinely incorporated into medicine and agriculture. Examples include the design of treatments that slow the evolution of resistance by weeds, pests, and pathogens, and the design of breeding programs that maximize crop yield or quality. Evolutionary principles are also increasingly incorporated into conservation biology, natural resource management, and environmental science. Examples include the protection of small and isolated populations from inbreeding depression, the identification of key traits involved in adaptation to climate change, the design of harvesting regimes that minimize unwanted life-history evolution, and the setting of conservation priorities based on populations, species, or communities that harbor the greatest evolutionary diversity and potential. The adoption of evolutionary principles has proceeded somewhat independently in these different fields, even though the underlying fundamental concepts are the same. We explore these fundamental concepts under four main themes: variation, selection, connectivity, and eco-evolutionary dynamics. Within each theme, we present several key evolutionary principles and illustrate their use in addressing applied problems. We hope that the resulting primer of evolutionary concepts and their practical utility helps to advance a unified multidisciplinary field of applied evolutionary biology. PMID:25567966

Evolutionary principles and their practical application.

PubMed

Hendry, Andrew P; Kinnison, Michael T; Heino, Mikko; Day, Troy; Smith, Thomas B; Fitt, Gary; Bergstrom, Carl T; Oakeshott, John; Jørgensen, Peter S; Zalucki, Myron P; Gilchrist, George; Southerton, Simon; Sih, Andrew; Strauss, Sharon; Denison, Robert F; Carroll, Scott P

2011-03-01

Evolutionary principles are now routinely incorporated into medicine and agriculture. Examples include the design of treatments that slow the evolution of resistance by weeds, pests, and pathogens, and the design of breeding programs that maximize crop yield or quality. Evolutionary principles are also increasingly incorporated into conservation biology, natural resource management, and environmental science. Examples include the protection of small and isolated populations from inbreeding depression, the identification of key traits involved in adaptation to climate change, the design of harvesting regimes that minimize unwanted life-history evolution, and the setting of conservation priorities based on populations, species, or communities that harbor the greatest evolutionary diversity and potential. The adoption of evolutionary principles has proceeded somewhat independently in these different fields, even though the underlying fundamental concepts are the same. We explore these fundamental concepts under four main themes: variation, selection, connectivity, and eco-evolutionary dynamics. Within each theme, we present several key evolutionary principles and illustrate their use in addressing applied problems. We hope that the resulting primer of evolutionary concepts and their practical utility helps to advance a unified multidisciplinary field of applied evolutionary biology.

Uncertainty principle in loop quantum cosmology by Moyal formalism

NASA Astrophysics Data System (ADS)

Perlov, Leonid

2018-03-01

In this paper, we derive the uncertainty principle for the loop quantum cosmology homogeneous and isotropic Friedmann-Lemaiter-Robertson-Walker model with the holonomy-flux algebra. The uncertainty principle is between the variables c, with the meaning of connection and μ having the meaning of the physical cell volume to the power 2/3, i.e., v2 /3 or a plaquette area. Since both μ and c are not operators, but rather the random variables, the Robertson uncertainty principle derivation that works for hermitian operators cannot be used. Instead we use the Wigner-Moyal-Groenewold phase space formalism. The Wigner-Moyal-Groenewold formalism was originally applied to the Heisenberg algebra of the quantum mechanics. One can derive it from both the canonical and path integral quantum mechanics as well as the uncertainty principle. In this paper, we apply it to the holonomy-flux algebra in the case of the homogeneous and isotropic space. Another result is the expression for the Wigner function on the space of the cylindrical wave functions defined on Rb in c variables rather than in dual space μ variables.

Understanding the mechanism of proteasome 20S core particle gating

PubMed Central

Latham, Michael P.; Sekhar, Ashok; Kay, Lewis E.

2014-01-01

The 20S core particle proteasome is a molecular machine playing an important role in cellular function by degrading protein substrates that no longer are required or that have become damaged. Regulation of proteasome activity occurs, in part, through a gating mechanism controlling the sizes of pores at the top and bottom ends of the symmetric proteasome barrel and restricting access to catalytic sites sequestered in the lumen of the structure. Although atomic resolution models of both open and closed states of the proteasome have been elucidated, the mechanism by which gates exchange between these states remains to be understood. Here, this is investigated by using magnetization transfer NMR spectroscopy focusing on the 20S proteasome core particle from Thermoplasma acidophilum. We show from viscosity-dependent proteasome gating kinetics that frictional forces originating from random solvent motions are critical for driving the gating process. Notably, a small effective hydrodynamic radius (EHR; <4Å) is obtained, providing a picture in which gate exchange proceeds through many steps involving only very small segment sizes. A small EHR further suggests that the kinetics of gate interconversion will not be affected appreciably by large viscogens, such as macromolecules found in the cell, so long as they are inert. Indeed, measurements in cell lysate reveal that the gate interconversion rate decreases only slightly, demonstrating that controlled studies in vitro provide an excellent starting point for understanding regulation of 20S core particle function in complex, biologically relevant environments. PMID:24706783

Chemical Denaturants Smoothen Ruggedness on the Free Energy Landscape of Protein Folding.

PubMed

Malhotra, Pooja; Jethva, Prashant N; Udgaonkar, Jayant B

2017-08-08

To characterize experimentally the ruggedness of the free energy landscape of protein folding is challenging, because the distributed small free energy barriers are usually dominated by one, or a few, large activation free energy barriers. This study delineates changes in the roughness of the free energy landscape by making use of the observation that a decrease in ruggedness is accompanied invariably by an increase in folding cooperativity. Hydrogen exchange (HX) coupled to mass spectrometry was used to detect transient sampling of local energy minima and the global unfolded state on the free energy landscape of the small protein single-chain monellin. Under native conditions, local noncooperative openings result in interconversions between Boltzmann-distributed intermediate states, populated on an extremely rugged "uphill" energy landscape. The cooperativity of these interconversions was increased by selectively destabilizing the native state via mutations, and further by the addition of a chemical denaturant. The perturbation of stability alone resulted in seven backbone amide sites exchanging cooperatively. The size of the cooperatively exchanging and/or unfolding unit did not depend on the extent of protein destabilization. Only upon the addition of a denaturant to a destabilized mutant variant did seven additional backbone amide sites exchange cooperatively. Segmentwise analysis of the HX kinetics of the mutant variants further confirmed that the observed increase in cooperativity was due to the smoothing of the ruggedness of the free energy landscape of folding of the protein by the chemical denaturant.

Difference in C3–C4 metabolism underlies tradeoff between growth rate and biomass yield in Methylobacterium extorquens AM1

DOE PAGES

Fu, Yanfen; Beck, David A. C.; Lidstrom, Mary E.

2016-07-19

In this study, two variants of Methylobacterium extorquens AM1 demonstrated a trade-off between growth rate and biomass yield. In addition, growth rate and biomass yield were also affected by supplementation of growth medium with different amounts of cobalt. The metabolism changes relating to these growth phenomena as well as the trade-off were investigated in this study. 13C metabolic flux analysis was used to generate a detailed central carbon metabolic flux map with both absolute and normalized flux values. As a result, the major differences between the two variants occurred at the formate node as well as within C3-C4 inter-conversion pathways.more » Higher relative fluxes through formyltetrahydrofolate ligase, phosphoenolpyruvate carboxylase, and malic enzyme led to higher biomass yield, while higher relative fluxes through pyruvate kinase and pyruvate dehydrogenase led to higher growth rate. These results were then tested by phenotypic studies on three mutants (null pyk, null pck mutant and null dme mutant) in both variants, which agreed with the model prediction. In this study, 13C metabolic flux analysis for two strain variants of M. extorquens AM1 successfully identified metabolic pathways contributing to the trade-off between cell growth and biomass yield. Phenotypic analysis of mutants deficient in corresponding genes supported the conclusion that C3-C4 inter-conversion strategies were the major response to the trade-off.« less

Difference in C3–C4 metabolism underlies tradeoff between growth rate and biomass yield in Methylobacterium extorquens AM1

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

Fu, Yanfen; Beck, David A. C.; Lidstrom, Mary E.

In this study, two variants of Methylobacterium extorquens AM1 demonstrated a trade-off between growth rate and biomass yield. In addition, growth rate and biomass yield were also affected by supplementation of growth medium with different amounts of cobalt. The metabolism changes relating to these growth phenomena as well as the trade-off were investigated in this study. 13C metabolic flux analysis was used to generate a detailed central carbon metabolic flux map with both absolute and normalized flux values. As a result, the major differences between the two variants occurred at the formate node as well as within C3-C4 inter-conversion pathways.more » Higher relative fluxes through formyltetrahydrofolate ligase, phosphoenolpyruvate carboxylase, and malic enzyme led to higher biomass yield, while higher relative fluxes through pyruvate kinase and pyruvate dehydrogenase led to higher growth rate. These results were then tested by phenotypic studies on three mutants (null pyk, null pck mutant and null dme mutant) in both variants, which agreed with the model prediction. In this study, 13C metabolic flux analysis for two strain variants of M. extorquens AM1 successfully identified metabolic pathways contributing to the trade-off between cell growth and biomass yield. Phenotypic analysis of mutants deficient in corresponding genes supported the conclusion that C3-C4 inter-conversion strategies were the major response to the trade-off.« less

Inhibition of Bladder Cancer by Broccoli Isothiocyanates Sulforaphane and Erucin: Characterization, Metabolism and Interconversion

PubMed Central

Abbaoui, Besma; Riedl, Kenneth M; Ralston, Robin A; Thomas-Ahner, Jennifer M; Schwartz, Steven J; Clinton, Steven K; Mortazavi, Amir

2013-01-01

Epidemiologic evidence suggests diets rich in cruciferous vegetables, particularly broccoli, are associated with lower bladder cancer risk. Our objectives are to investigate these observations and determine the role of isothiocyanates in primary or secondary bladder cancer prevention. We initially investigate the mechanisms whereby broccoli and broccoli sprout extracts and pure isothiocyanates inhibit normal, non-invasive (RT4) and invasive (J82, UMUC3) human urothelial cell viability. Sulforaphane (IC50= 5.66±1.2μM) and erucin (IC50= 8.79±1.3μM) are found to be the most potent inhibitors and normal cells are least sensitive. This observation is associated with downregulation of survivin, EGFR and HER2/neu, G2/M cell cycle accumulation and apoptosis. In a murine UMUC3 xenograft model, we fed semipurified diets containing 4% broccoli sprouts, or 2% broccoli sprout isothiocyanate extract; or gavaged pure sulforaphane or erucin (each at 295 μmol/kg, similar to dietary exposure); and report tumor weight reduction of 42% (p=0.02), 42% (p=0.04), 33% (p=0.04) and 58% (p<0.0001), respectively. Sulforaphane and erucin metabolites are present in mouse plasma (micromolar range) and tumor tissue, with N-acetyl cysteine conjugates as the most abundant. Interconversion of sulforaphane and erucin metabolites was observed. This work supports development of fully characterized, novel food products for phase I/II human studies targeting bladder cancer prevention. PMID:23038615

Occurrence of (Z)-3,4-Dideoxyglucoson-3-ene in Different Types of Beer and Malt Beer as a Result of 3-Deoxyhexosone Interconversion.

PubMed

Hellwig, Michael; Nobis, Arndt; Witte, Sophia; Henle, Thomas

2016-04-06

In beer, 3-deoxyglucosone (3-DG) and 3-deoxygalactosone (3-DGal) are important sugar degradation products, but little is known about the relevance of the interconversion reaction between these compounds in different types of beer. In the present study, 3-DG was quantitated at concentrations of 12.9-52.7 mg/L and 3-DGal at concentrations of 6.0-26.4 mg/L in different types of beer (pilsner, wheat, bock, dark, and alcohol-free beers). The concentrations in malt beer tended to be higher. Largely overlapping concentration ranges precluded a classification of beers by their 3-deoxyglycosone contents. 3,4-Dideoxyglucoson-3-ene (3,4-DGE) was identified as an important intermediate and quantitated in beer and malt beer for the first time. The E and Z isomers of the corresponding quinoxaline were synthesized by a new synthetic approach and isolated by semipreparative HPLC. An assay was developed for quantitation of (E)- and (Z)-3,4-DGE by HPLC-MS/MS, and the Z isomer was determined at concentrations of 0.3-1.7 mg/L in beer and 0.5-4.8 mg/L in malt beer samples. The E isomer was shown to be of little importance. Concentrations of 5-hydroxymethylfurfural (HMF) were twice as high as those of (Z)-3,4-DGE in beer samples (0.4-3.7 mg/L) but much higher in malt beer samples (1.6-336 mg/L).

Exploring the aggregation free energy landscape of the amyloid-β protein (1–40)

PubMed Central

Zheng, Weihua; Tsai, Min-Yeh; Chen, Mingchen; Wolynes, Peter G.

2016-01-01

A predictive coarse-grained protein force field [associative memory, water-mediated, structure, and energy model for molecular dynamics (AWSEM)-MD] is used to study the energy landscapes and relative stabilities of amyloid-β protein (1–40) in the monomer and all of its oligomeric forms up to an octamer. We find that an isolated monomer is mainly disordered with a short α-helix formed at the central hydrophobic core region (L17-D23). A less stable hairpin structure, however, becomes increasingly more stable in oligomers, where hydrogen bonds can form between neighboring monomers. We explore the structure and stability of both prefibrillar oligomers that consist of mainly antiparallel β-sheets and fibrillar oligomers with only parallel β-sheets. Prefibrillar oligomers are polymorphic but typically take on a cylindrin-like shape composed of mostly antiparallel β-strands. At the concentration of the simulation, the aggregation free energy landscape is nearly downhill. We use umbrella sampling along a structural progress coordinate for interconversion between prefibrillar and fibrillar forms to identify a conversion pathway between these forms. The fibrillar oligomer only becomes favored over its prefibrillar counterpart in the pentamer where an interconversion bottleneck appears. The structural characterization of the pathway along with statistical mechanical perturbation theory allow us to evaluate the effects of concentration on the free energy landscape of aggregation as well as the effects of the Dutch and Arctic mutations associated with early onset of Alzheimer’s disease. PMID:27698130

Topological Transformation of a Metal–Organic Framework Triggered by Ligand Exchange

DOE PAGES

Miera, Greco Gonzalez; Gomez, Antonio Bermejo; Chupas, Peter J.; ...

2017-04-06

Metal-organic frameworks (MOFs) have shown to be unsuspectedly dynamic. Here we describe the topological interconversion of a new framework in the bio-MOF-100 family (dia-c) into the known isomer (lcs) by doubling the pore volume, which occurs during post-synthesis modifications. During this transformation, re-assembling of the MOF building blocks into a completely different framework occurs, involving breaking/forming of metal-ligand bonds. MOF crystallinity and local structure are retained, as determined by powder X-ray diffraction (PXRD) and pair distribution function (PDF) analyses, respectively. We have exploited the inherent dynamism of bio-MOF-100 by coupling chemical decorations of the framework using solvent-assisted ligand exchange (SALE)more » to the topological change. Following this method and starting from the pristine dense dia-c phase, open lcs-bio-MOF-100 was prepared and functionalized in-situ with an iridium complex (IrL). Alternatively, the dia-c MOF could be modified with wide-ranging amounts of IrL up to ca. 50 mol%, as determined by solution 1H Nuclear Magnetic Resonance (NMR) spectroscopy, by tuning the concentration of the solutions used and with no evidence for isomer interconversion. The single-site nature of the iridium complexes within the MOFs was assessed by X-ray absorption spectroscopy (XAS) and PDF analyses. As a result, ligand exchanges occurred quantitatively at room temperature, with no need of excess of the iridium metallolinker.« less

Resolution of Site-Specific Conformational Heterogeneity in Proline-Rich Molecular Recognition by Src Homology 3 Domains.

PubMed

Horness, Rachel E; Basom, Edward J; Mayer, John P; Thielges, Megan C

2016-02-03

Conformational heterogeneity and dynamics are increasingly evoked in models of protein molecular recognition but are challenging to experimentally characterize. Here we combine the inherent temporal resolution of infrared (IR) spectroscopy with the spatial resolution afforded by selective incorporation of carbon-deuterium (C-D) bonds, which provide frequency-resolved absorptions within a protein IR spectrum, to characterize the molecular recognition of the Src homology 3 (SH3) domain of the yeast protein Sho1 with its cognate proline-rich (PR) sequence of Pbs2. The IR absorptions of C-D bonds introduced at residues along a peptide of the Pbs2 PR sequence report on the changes in the local environments upon binding to the SH3 domain. Interestingly, upon forming the complex the IR spectra of the peptides labeled with C-D bonds at either of the two conserved prolines of the PXXP consensus recognition sequence show more absorptions than there are C-D bonds, providing evidence for the population of multiple states. In contrast, the NMR spectra of the peptides labeled with (13)C at the same residues show only single resonances, indicating rapid interconversion on the NMR time scale. Thus, the data suggest that the SH3 domain recognizes its cognate peptide with a component of induced fit molecular recognition involving the adoption of multiples states, which have previously gone undetected due to interconversion between the populated states that is too fast to resolve using conventional methods.

Immobilization of hydrogenase on carbon nanotube polyelectrolytes as heterogeneous catalysts for electrocatalytic interconversion of protons and hydrogen

NASA Astrophysics Data System (ADS)

Liu, Jiang; Wu, Wen-Jie; Fang, Fang; Zorin, Nikolay A.; Chen, Meng; Qian, Dong-Jin

2016-08-01

Immobilization of active enzymes on the surfaces of electrodes and nanomaterials is important in the fields of bioscience, and biotechnology. In this study, we investigated electrocatalytic properties of the interconversion of protons and hydrogen by means of hydrogenase (H2ase)-functionalized carbon nanotube polyelectrolyte composites. Multiwalled carbon nanotube polyelectrolytes (MWNT-PEs) were synthesized through a diazonium and an addition reaction with poly(4-vinylpyridine) (P4VP), followed by another addition reaction with either methyl iodide (CH3I) or N-methyl- N'-benzyl bromide bipyridinium (VBenBr) to produce MWNT-P4VPMe or MWNT-P4VPBenV polyelectrolytes, respectively. The MWNT-PE@H2ase bio-nanocomposites were then prepared by means of MWNT-PEs as substrates to bind with H2ase. The redox current density of the MWNT-PE@H2ase-modified electrodes increased with a decrease in pH values of the Ar-saturated electrolyte solution owing to the catalytic reduction of protons (H2 production); further, it increased with the increasing pH values of the H2-saturated solution owing to the catalytic oxidation of hydrogen. The reversible color change between blue-colored and colorless viologen (catalyzed by the MWNT-PE@H2ase bio-nanocomposites) suggested that they may be developed as nano-biosensors for molecular H2. The as-synthesized bio-nanocomposites showed strong long-term stability and high bioactivity.

Reversible adaptation to photoinduced shape switching by oligomer-macrocycle interconversion with component selection in a three-state constitutional dynamic system.

PubMed

Vantomme, Ghislaine; Lehn, Jean-Marie

2014-12-01

Light irradiation of the molecular photoswitch 1-E causes isomerization into the 1-Z configuration stabilized by an internal hydrogen bond. 1-E bears aldehyde groups allowing for dynamic covalent reaction with linear diamines. On photoinduced E/Z shape switching of 1 in presence of diamines, the system undergoes interconversion between two states, a non-cyclic oligomeric one and a macrocyclic one, corresponding respectively to the E and Z configurations of 1. With a mixture of linear α,ω-diamines, 1-E yields non-selective dynamic oligomers by random incorporation of diamine components. Photoswitching to the 1-Z form leads to constitutional adaptation with preferential formation of the macrocycle incorporating the best suited diamine, H2 N(CH2 )7 NH2 . In presence of metal cations, the E form switches from its unbound W shape to its coordinated U shape and yields the macrocycle resulting from the selective incorporation of the diamine H2 NCH2 CH2 OCH2 CH2 NH2 that contains an additional O coordination site. Taken together, the results obtained describe constitutional adaptation in a triple state system: an oligomeric one and two different macrocyclic ones generated in response to two orthogonal agents, a physical stimulus, light, or a chemical effector, metal cations. These three states present, towards the incorporation of diamine components, respectively no selection, photoselection and metalloselection. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Topological Transformation of a Metal–Organic Framework Triggered by Ligand Exchange

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

Miera, Greco Gonzalez; Gomez, Antonio Bermejo; Chupas, Peter J.

Metal-organic frameworks (MOFs) have shown to be unsuspectedly dynamic. Here we describe the topological interconversion of a new framework in the bio-MOF-100 family (dia-c) into the known isomer (lcs) by doubling the pore volume, which occurs during post-synthesis modifications. During this transformation, re-assembling of the MOF building blocks into a completely different framework occurs, involving breaking/forming of metal-ligand bonds. MOF crystallinity and local structure are retained, as determined by powder X-ray diffraction (PXRD) and pair distribution function (PDF) analyses, respectively. We have exploited the inherent dynamism of bio-MOF-100 by coupling chemical decorations of the framework using solvent-assisted ligand exchange (SALE)more » to the topological change. Following this method and starting from the pristine dense dia-c phase, open lcs-bio-MOF-100 was prepared and functionalized in-situ with an iridium complex (IrL). Alternatively, the dia-c MOF could be modified with wide-ranging amounts of IrL up to ca. 50 mol%, as determined by solution 1H Nuclear Magnetic Resonance (NMR) spectroscopy, by tuning the concentration of the solutions used and with no evidence for isomer interconversion. The single-site nature of the iridium complexes within the MOFs was assessed by X-ray absorption spectroscopy (XAS) and PDF analyses. As a result, ligand exchanges occurred quantitatively at room temperature, with no need of excess of the iridium metallolinker.« less

Climbing for credit: applying Kurt Hahn's principles for promoting holistic lifestyles.

PubMed

Brand, James; Kruczek, Nick; Shan, Kevin; Haraf, Paul; Simmons, Daniel E

2012-01-01

Climbing is a sport, a hobby, and metaphor for life's lessons. A climbing course for undergraduate students was designed on the basis of the principles of rock climber and educator Kurt Hahn, who transferred lessons learned from physical activity into lessons for life and whose philosophy underpins the Outward Bound program. Hahn's 10 principles for sound mind-body-spirit are described.

How the Second Law of Thermodynamics Has Informed Ecosystem Ecology through Its History

NASA Astrophysics Data System (ADS)

Chapman, E. J.; Childers, D. L.; Vallino, J. J.

2014-12-01

Throughout the history of ecosystem ecology many attempts have been made to develop a general principle governing how systems develop and organize. We reviewed the historical developments that led to conceptualization of several goal-oriented principles in ecosystem ecology and the relationships among them. We focused our review on two prominent principles—the Maximum Power Principle and the Maximum Entropy Production Principle—and the literature that applies to both. While these principles have considerable conceptual overlap and both use concepts in physics (power and entropy), we found considerable differences in their historical development, the disciplines that apply these principles, and their adoption in the literature. We reviewed the literature using Web of Science keyword searches for the MPP, the MEPP, as well as for papers that cited pioneers in the MPP and the MEPP development. From the 6000 papers that our keyword searches returned, we limited our further meta-analysis to 32 papers by focusing on studies with a foundation in ecosystems research. Despite these seemingly disparate pasts, we concluded that the conceptual approaches of these two principles were more similar than dissimilar and that maximization of power in ecosystems occurs with maximum entropy production. We also found that these two principles have great potential to explain how systems develop, organize, and function, but there are no widely agreed upon theoretical derivations for the MEPP or the MPP, possibly hindering their broader use in ecological research. We end with recommendations for how ecosystems-level studies may better use these principles.

Genebanking seeds from natural populations

USDA-ARS?s Scientific Manuscript database

Conventional storage protocols have been developed to preserve genetic diversity of seeds of crops in genebanks. These same principles have been applied to preserve seeds from wild populations. While most principles for conventional storage protocols are applicable to a broad range of wild species...

Building effective critical care teams

PubMed Central

2011-01-01

Critical care is formulated and delivered by a team. Accordingly, behavioral scientific principles relevant to teams, namely psychological safety, transactive memory and leadership, apply to critical care teams. Two experts in behavioral sciences review the impact of psychological safety, transactive memory and leadership on medical team outcomes. A clinician then applies those principles to two routine critical care paradigms: daily rounds and resuscitations. Since critical care is a team endeavor, methods to maximize teamwork should be learned and mastered by critical care team members, and especially leaders. PMID:21884639

Remote sensing applied to agriculture: Basic principles, methodology, and applications

NASA Technical Reports Server (NTRS)

Dejesusparada, N. (Principal Investigator); Mendonca, F. J.

1981-01-01

The general principles of remote sensing techniques as applied to agriculture and the methods of data analysis are described. the theoretical spectral responses of crops; reflectance, transmittance, and absorbtance of plants; interactions of plants and soils with reflectance energy; leaf morphology; and factors which affect the reflectance of vegetation cover are dicussed. The methodologies of visual and computer-aided analyses of LANDSAT data are presented. Finally, a case study wherein infrared film was used to detect crop anomalies and other data applications are described.

Strategies of Production Control as Tools of Efficient Management of Production Enterprises

NASA Astrophysics Data System (ADS)

Budynek, Mateusz; Celińska, Elżbieta; Dybikowska, Adrianna; Kozak, Monika; Ratajczak, Joanna; Urban, Jagoda; Materne, Karolina

2016-03-01

The paper discusses the problem of principle methods of production control as a strategy supporting the production system and stimulating efficient solutions in respect management in production enterprises. The article describes MRP, ERP, JIT, KANBAN and TOC methods and focuses on their main goals, principles of functioning as well as benefits resulting from their application. The methods represent two diverse strategies of production control, i.e. pull and push strategies. Push strategies are used when the plans apply to the first and principle part of production and are based on the demand forecasts. Pull strategies are used when all planning decisions apply to the final stage and depend on the actual demand or orders from customers.

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

Hourdequin, Marion, E-mail: Marion.Hourdequin@ColoradoCollege.edu; Department of Philosophy, Colorado College, 14 E. Cache La Poudre St., Colorado Springs, CO 80903; Landres, Peter

Traditional mechanisms for public participation in environmental impact assessment under U.S. federal law have been criticized as ineffective and unable to resolve conflict. As these mechanisms are modified and new approaches developed, we argue that participation should be designed and evaluated not only on practical grounds of cost-effectiveness and efficiency, but also on ethical grounds based on democratic ideals. In this paper, we review and synthesize modern democratic theory to develop and justify four ethical principles for public participation: equal opportunity to participate, equal access to information, genuine deliberation, and shared commitment. We then explore several tensions that are inherentmore » in applying these ethical principles to public participation in EIA. We next examine traditional NEPA processes and newer collaborative approaches in light of these principles. Finally, we explore the circumstances that argue for more in-depth participatory processes. While improved EIA participatory processes do not guarantee improved outcomes in environmental management, processes informed by these four ethical principles derived from democratic theory may lead to increased public engagement and satisfaction with government agency decisions. - Highlights: Black-Right-Pointing-Pointer Four ethical principles based on democratic theory for public participation in EIA. Black-Right-Pointing-Pointer NEPA and collaboration offer different strengths in meeting these principles. Black-Right-Pointing-Pointer We explore tensions inherent in applying these principles. Black-Right-Pointing-Pointer Improved participatory processes may improve public acceptance of agency decisions.« less

Special feature of kinetics of ZcE isomerization of β-N-methylaminovinyl trifluoromethyl ketone in Ar matrix exposed to UV radiation and spontaneous E ⇌ Z isomerization of α-methyl-β-N-methylaminovinyl trifluoromethyl ketone

NASA Astrophysics Data System (ADS)

Vdovenko, Sergey I.; Gerus, Igor I.; Pagacz-Kostrzewa, Magdalena; Wierzejewska, Maria; Zhuk, Yuri I.; Kukhar, Valery P.

2018-06-01

Although it is well known that reactivity of α,β-unsaturated enaminoketones is closely associated with spatial and electronic structure but until now little attention was devoted to quantitative investigation of interconversion of different stereoisomeric forms of enaminoketones. In present work we studied peculiarities of kinetics of Z ⇌ E isomerization of enaminoketone 4-(N-methylamino)-1,1,1-trifluorobut-3-en-2-one F3C-COsbnd CHdbnd CHsbnd NH(CH3) (1) in Ar-matrix exposed to UV-radiation (λ = 340 nm) with IR Fourier and 2D correlation spectroscopy and we found that Z-s-Z-s-trans isomer transforms primarily into two E-isomers, E-s-E-s-trans and E-s-Z-s-trans which further turn into the E-s-E-s-cis and E-s-Z-s-cis conformers all interconversion rate constants being comparable in magnitude. Along with this process long-term exposure to the UV-radiation results in proton transfer from nitrogen of methylamino group to carbonyl oxygen with simultaneous isomerization of 'cyclic' iminoenol form into 'linear'one. In solution of enaminoketone 4-(N-methylamino)-1,1,1-trifluoro-3-methylbut-3-en-2-one F3C-CO-C(CH3)dbnd CH-NH(CH3) (2) we observed reversed process, namely, spontaneous interconversion of the E-s-E-s-trans and E-s-Z-s-trans conformers into the Z-s-Z-trans isomer. It was found that rate constants of the dimeric forms of the E-s-E-s-trans and E-s-Z-s-trans conformers are higher than those of the monomers and are independent on total enaminoketone concentration. Addition of highly polar HMPA promotes proton transfer from nitrogen to oxygen in the Z-s-Z-s-trans isomer of 2 with subsequent isomerization into the linear imino-enol product but the rate constant of this transformation is ten-fold smaller than that for 1 in the Ar matrix exposed to UV radiation. Special feature of kinetics of Z ⇌ E isomerization of β-N-methylaminovinyl trifluoromethyl ketone in Ar matrix exposed to UV radiation and spontaneous E ⇌ Z isomerization of α-Methyl-, β-N-methylaminovinyl trifluoromethyl ketone. Sergey I. Vdovenko, Igor I. Gerus, Magdalena Pagacz-Kostrzewa, Maria Wierzejewska, Yuri I. Zhuk and Valery P. Kukhar.

Kwanzaa: A Holiday of Principles.

ERIC Educational Resources Information Center

Ferguson, Phyllis M.; Young, Terrell A.

1995-01-01

Describes the content and pedagogy of a three-week unit using "Kwanzaa" to validate the Swahili roots of African American cultural heritage. Emphasizes that Kwanzaa is a holiday of principles that applies to all students by emphasizing community, purpose, and personal and collective action. (RS)

7 CFR 3015.190 - Scope.

Code of Federal Regulations, 2010 CFR

2010-01-01

... costs. These cost principles shall apply to transactions and activities conducted under grants... AGRICULTURE UNIFORM FEDERAL ASSISTANCE REGULATIONS Cost Principles § 3015.190 Scope. This subpart makes the allowable costs incurred by the recipient the maximum amount of money a recipient is entitled to receive...

Conceptual Models and Theory-Embedded Principles on Effective Schooling.

ERIC Educational Resources Information Center

Scheerens, Jaap

1997-01-01

Reviews models and theories on effective schooling. Discusses four rationality-based organization theories and a fifth perspective, chaos theory, as applied to organizational functioning. Discusses theory-embedded principles flowing from these theories: proactive structuring, fit, market mechanisms, cybernetics, and self-organization. The…

Applied Mathematics Should Be Taught Mixed.

ERIC Educational Resources Information Center

Brown, Gary I.

1994-01-01

Discusses the differences between applied and pure mathematics and provides extensive history of mixed mathematics. Argues that applied mathematics should be taught allowing for speculative mathematics, which involves breaking down a given problem into simpler parts until one arrives at first principles. (ASK)

Effective intermolecular potential and critical point for C60 molecule

NASA Astrophysics Data System (ADS)

Ramos, J. Eloy

2017-07-01

The approximate nonconformal (ANC) theory is applied to the C60 molecule. A new binary potential function is developed for C60, which has three parameters only and is obtained by averaging the site-site carbon interactions on the surface of two C60 molecules. It is shown that the C60 molecule follows, to a good approximation, the corresponding states principle with n-C8H18, n-C4F10 and n-C5F12. The critical point of C60 is estimated in two ways: first by applying the corresponding states principle under the framework of the ANC theory, and then by using previous computer simulations. The critical parameters obtained by applying the corresponding states principle, although very different from those reported in the literature, are consistent with the previous results of the ANC theory. It is shown that the Girifalco potential does not correspond to an average of the site-site carbon-carbon interaction.

Military Compensation: Additional Actions Are Needed to Better Manage Special and Incentive Pay Programs

DTIC Science & Technology

2017-02-01

services largely applied key principles of effective human capital management in the design of their S&I pay programs for nuclear propulsion...aviation, and cybersecurity occupations. However, the application of these key principles varied by service and occupation. Only the Navy’s S&I pay...programs for nuclear propulsion and aviation fully addressed all seven principles ; programs for other occupations and services generally exhibited a

Autonomous intelligent cars: proof that the EPSRC Principles are future-proof

NASA Astrophysics Data System (ADS)

de Cock Buning, Madeleine; de Bruin, Roeland

2017-07-01

Principle 2 of the EPSRC's principles of robotics (AISB workshop on Principles of Robotics, 2016) proves to be future proof when applied to the current state of the art of law and technology surrounding autonomous intelligent cars (AICs). Humans, not AICS, are responsible agents. AICs should be designed; operated as far as is practicable to comply with existing laws and fundamental rights and freedoms, including privacy by design. It will show that some legal questions arising from autonomous intelligent driving technology can be answered by the technology itself.

Organizing principles for dense packings of nonspherical hard particles: Not all shapes are created equal

NASA Astrophysics Data System (ADS)

Torquato, Salvatore; Jiao, Yang

2012-07-01

We have recently devised organizing principles to obtain maximally dense packings of the Platonic and Archimedean solids and certain smoothly shaped convex nonspherical particles [Torquato and Jiao, Phys. Rev. EPLEEE81539-375510.1103/PhysRevE.81.041310 81, 041310 (2010)]. Here we generalize them in order to guide one to ascertain the densest packings of other convex nonspherical particles as well as concave shapes. Our generalized organizing principles are explicitly stated as four distinct propositions. All of our organizing principles are applied to and tested against the most comprehensive set of both convex and concave particle shapes examined to date, including Catalan solids, prisms, antiprisms, cylinders, dimers of spheres, and various concave polyhedra. We demonstrate that all of the densest known packings associated with this wide spectrum of nonspherical particles are consistent with our propositions. Among other applications, our general organizing principles enable us to construct analytically the densest known packings of certain convex nonspherical particles, including spherocylinders, “lens-shaped” particles, square pyramids, and rhombic pyramids. Moreover, we show how to apply these principles to infer the high-density equilibrium crystalline phases of hard convex and concave particles. We also discuss the unique packing attributes of maximally random jammed packings of nonspherical particles.

Adaptable Constrained Genetic Programming: Extensions and Applications

NASA Technical Reports Server (NTRS)

Janikow, Cezary Z.

2005-01-01

An evolutionary algorithm applies evolution-based principles to problem solving. To solve a problem, the user defines the space of potential solutions, the representation space. Sample solutions are encoded in a chromosome-like structure. The algorithm maintains a population of such samples, which undergo simulated evolution by means of mutation, crossover, and survival of the fittest principles. Genetic Programming (GP) uses tree-like chromosomes, providing very rich representation suitable for many problems of interest. GP has been successfully applied to a number of practical problems such as learning Boolean functions and designing hardware circuits. To apply GP to a problem, the user needs to define the actual representation space, by defining the atomic functions and terminals labeling the actual trees. The sufficiency principle requires that the label set be sufficient to build the desired solution trees. The closure principle allows the labels to mix in any arity-consistent manner. To satisfy both principles, the user is often forced to provide a large label set, with ad hoc interpretations or penalties to deal with undesired local contexts. This unfortunately enlarges the actual representation space, and thus usually slows down the search. In the past few years, three different methodologies have been proposed to allow the user to alleviate the closure principle by providing means to define, and to process, constraints on mixing the labels in the trees. Last summer we proposed a new methodology to further alleviate the problem by discovering local heuristics for building quality solution trees. A pilot system was implemented last summer and tested throughout the year. This summer we have implemented a new revision, and produced a User's Manual so that the pilot system can be made available to other practitioners and researchers. We have also designed, and partly implemented, a larger system capable of dealing with much more powerful heuristics.

The precautionary principle: is it safe.

PubMed

Gignon, Maxime; Ganry, Olivier; Jardé, Olivier; Manaouil, Cécile

2013-06-01

The precautionary principle is generally acknowledged to be a powerful tool for protecting health but it was originally invoked by policy makers for dealing with environmental issues. In the 1990s, the principle was incorporated into many legislative and regulatory texts in international law. One can consider that the precautionary principle has turned into "precautionism" necessary to prove to the people, taking account of risk in decisions. There is now a risk that these abuses will deprive the principle of its meaning and value. When pushed to its limits, the precautionary principle can even be dangerous when applied to the healthcare field. This is why a critical analysis of the principle is necessary. Through the literature, it sometimes seems to deviate somehow from the essence of the precautionary principle as it is commonly used in relation to health. We believe that educational work is necessary to familiarize professionals, policy makers and public opinion of the precautionary principle and avoid confusion. We propose a critical analysis of the use and misuse of the precautionary principle.

Common Characteristics of Improvisational Approaches in Music Therapy for Children with Autism Spectrum Disorder: Developing Treatment Guidelines.

PubMed

Geretsegger, Monika; Holck, Ulla; Carpente, John A; Elefant, Cochavit; Kim, Jinah; Gold, Christian

2015-01-01

Improvisational methods of music therapy have been increasingly applied in the treatment of individuals with autism spectrum disorder (ASD) over the past decades in many countries worldwide. This study aimed at developing treatment guidelines based on the most important common characteristics of improvisational music therapy (IMT) with children affected by ASD as applied across various countries and theoretical backgrounds. After initial development of treatment principle items, a survey among music therapy professionals in 10 countries and focus group workshops with experienced clinicians in three countries were conducted to evaluate the items and formulate revised treatment guidelines. To check usability, a treatment fidelity assessment tool was subsequently used to rate therapy excerpts. Survey findings and feedback from the focus groups corroborated most of the initial principles for IMT in the context of children with ASD. Unique and essential principles include facilitating musical and emotional attunement, musically scaffolding the flow of interaction, and tapping into the shared history of musical interaction between child and therapist. Raters successfully used the tool to evaluate treatment adherence and competence. Summarizing an international consensus about core principles of improvisational approaches in music therapy for children with ASD, these treatment guidelines may be applied in diverse theoretical models of music therapy. They can be used to assess treatment fidelity, and may be applied to facilitate future research, clinical practice, and training. © the American Music Therapy Association 2015. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Interconversion of intrinsic defects in SrTi O3(001 )

NASA Astrophysics Data System (ADS)

Chambers, S. A.; Du, Y.; Zhu, Z.; Wang, J.; Wahila, M. J.; Piper, L. F. J.; Prakash, A.; Yue, J.; Jalan, B.; Spurgeon, S. R.; Kepaptsoglou, D. M.; Ramasse, Q. M.; Sushko, P. V.

2018-06-01

Photoemission features associated with states deep in the band gap of n -SrTi O3(001 ) are found to be ubiquitous in bulk crystals and epitaxial films. These features are present even when there is little signal near the Fermi level. Analysis reveals that these states are deep-level traps associated with defects. The commonly investigated defects—O vacancies, Sr vacancies, and aliovalent impurity cations on the Ti sites—cannot account for these features. Rather, ab initio modeling points to these states resulting from interstitial oxygen and its interaction with donor electrons.

Spin-Mechatronics

NASA Astrophysics Data System (ADS)

Matsuo, Mamoru; Saitoh, Eiji; Maekawa, Sadamichi

2017-01-01

We investigate the interconversion phenomena between spin and mechanical angular momentum in moving objects. In particular, the recent results on spin manipulation and spin-current generation by mechanical motion are examined. In accelerating systems, spin-dependent gauge fields emerge, which enable the conversion from mechanical angular momentum into spins. Such a spin-mechanical effect is predicted by quantum theory in a non-inertial frame. Experiments which confirm the effect, i.e., the resonance frequency shift in nuclear magnetic resonance, the stray field measurement of rotating metals, and electric voltage generation in liquid metals, are discussed.

Alkali metal vapors - Laser spectroscopy and applications

NASA Technical Reports Server (NTRS)

Stwalley, W. C.; Koch, M. E.

1980-01-01

The paper examines the rapidly expanding use of lasers for spectroscopic studies of alkali metal vapors. Since the alkali metals (lithium, sodium, potassium, rubidium and cesium) are theoretically simple ('visible hydrogen'), readily ionized, and strongly interacting with laser light, they represent ideal systems for quantitative understanding of microscopic interconversion mechanisms between photon (e.g., solar or laser), chemical, electrical and thermal energy. The possible implications of such understanding for a wide variety of practical applications (sodium lamps, thermionic converters, magnetohydrodynamic devices, new lasers, 'lithium waterfall' inertial confinement fusion reactors, etc.) are also discussed.

Probing the Conformational Landscape of a Polyether Building Block by Raman Jet Spectroscopy

NASA Astrophysics Data System (ADS)

Bocklitz, Sebastian; Suhm, Martin A.

2015-06-01

Polyethylene oxides (Polyethylene glycoles) represent a prominent class of water-soluble polymers. Surprisingly, already 1,2-dimethoxyethane as the simplest representative of this polymer family has an undetermined conformational preference in the gas phase. Here, we address this problem by spontaneous Raman scattering in a supersonic jet. Variation of carrier gas, stagnation pressure, nozzle distance and temperature provides information on the three lowest conformations and their mutual interconversion during collisions in the expansion. The results are compared to quantum chemical calculations of the potential energy landscape and of normal modes.

Isolation and identification of a thermophilic strain producing trehalose synthase from geothermal water in China.

PubMed

Zhu, Yueming; Zhang, Jun; Wei, Dongsheng; Wang, Yufan; Chen, Xiaoyun; Xing, Laijun; Li, Mingchun

2008-08-01

A slightly thermophilic strain, CBS-01, producing trehalose synthase (TreS), was isolated from geothermal water in this study. According to the phenotypic characteristics and phylogenetic analysis of the 16s rRNA gene sequence, it was identified as Meiothermus ruber. The trehalose synthase gene of Meiothermus ruber CBS-01 was cloned by polymerase chain reaction and sequenced. The TreS gene consisted of 2,895 nucleotides, which specified a 964-amino-acid protein. This novel TreS catalyzed reversible interconversion of maltose and trehalose.

A Life Below the Threshold?: Examining Conflict Between Ethical Principles and Parental Values in Neonatal Treatment Decision Making.

PubMed

Cunningham, Thomas V

2016-01-01

Three common ethical principles for establishing the limits of parental authority in pediatric treatment decision-making are the harm principle, the principle of best interest, and the threshold view. This paper considers how these principles apply to a case of a premature neonate with multiple significant co-morbidities whose mother wanted all possible treatments, and whose health care providers wondered whether it would be ethically permissible to allow him to die comfortably despite her wishes. Whether and how these principles help in understanding what was morally right for the child is questioned. The paper concludes that the principles were of some value in understanding the moral geography of the case; however, this case reveals that common bioethical principles for medical decision-making are problematically value-laden because they are inconsistent with the widespread moral value of medical vitalism.

Reciprocity as Sustainability in Campus-Community Partnership

ERIC Educational Resources Information Center

Bloomgarden, Alan

2013-01-01

The concept of reciprocity permeates the literature on campus-community partnership as a matter of principle, aspiration, and--ideally--best practice. More recently, principles and practices of sustainability have pervaded scholarly and popular discourse, emerging from and applying to environmental studies, economic development, and social justice…

Understanding and applying principles of social cognition and decision making in adaptive environmental governance

EPA Science Inventory

Environmental governance systems are under greater pressure to adapt and to cope with increased social and ecological uncertainty from stressors like climate change. We review principles of social cognition and decision making that shape and constrain how environmental governance...

Huygens-Feynman-Fresnel principle as the basis of applied optics.

PubMed

Gitin, Andrey V

2013-11-01

The main relationships of wave optics are derived from a combination of the Huygens-Fresnel principle and the Feynman integral over all paths. The stationary-phase approximation of the wave relations gives the correspondent relations from the point of view of geometrical optics.

Multimedia Matrix: A Cognitive Strategy for Designers.

ERIC Educational Resources Information Center

Sherry, Annette C.

This instructional development project evaluates the effect of a matrix-based strategy to assist multimedia authors in acquiring and applying principles for effective multimedia design. The Multimedia Matrix, based on the Park and Hannafin "Twenty Principles and Implications for Interactive Multimedia" design, displays a condensed…

Academic Success Through Quality-Managed Course Design.

ERIC Educational Resources Information Center

Reese, Andy C.; Mobley, Mary F.

1996-01-01

Principles of quality management, focusing on defect prevention rather than correction, were applied to the design of a graduate biomedicine course in immunology. The principles require clearly stated course mission and objectives, numerous intermediate steps to achieving objectives, immediate feedback on student performance, and immediate…

MANUAL: BIOVENTING PRINCIPLES AND PRACTICE VOLUME I. BIOVENTING PRINCIPLES

EPA Science Inventory

Bioventing is the process of aerating soils to stimulate in situ biological activity and promote bioremediation. Bioventing typically is applied in situ to the vadose zone and is applicable to any chemical that can be aerobically biodegraded but to date has primarily been impleme...

Applying Continuous Quality Improvement Principles in Secondary School Vocational Education, with Emphasis on Special Populations.

ERIC Educational Resources Information Center

McLean, Gary N.

1993-01-01

Principles of quality management applicable to education for secondary special populations include process orientation, cascading, top commitment, vertical/horizontal communication, continuous improvement, shared vision, primacy of customers, investment in people, constancy of purpose, and shared goal setting. (JOW)

Dramatic Expression in Opera, and Its Implications for Conversational Agents. Chapter 7

NASA Technical Reports Server (NTRS)

Johnson, W. Lewis

2007-01-01

This article has discussed principles, techniques, and methods of dramatic portrayal in opera, and their application to the development of embodied conversational agents. Investigations such as this complement studies of natural human behavior, and offer insights as to how to make such behavior understandable and interesting when adapted for use by embodied conversational agents. However, one should use caution in applying such lessons. The unique characteristics of computer-based media are still being identified and explored. In any case, one must always be careful about applying principles blindly to any artistic form. Such principles are post-hoc analysis of the intuitive skill of great artists; this was as true in Aristotle's day as it is today. We should not let structural principles stand in the way of injecting creativity into the design of ECAs. Opera at its best possesses an element of magic that is difficult to describe, much less analytically reconstruct. We can only hope to achieve a similar result with conversational agents.

Process improvement of pap smear tracking in a women's medicine center clinic in residency training.

PubMed

Calhoun, Byron C; Goode, Jeff; Simmons, Kathy

2011-11-01

Application of Six-Sigma methodology and Change Acceleration Process (CAP)/Work Out (WO) tools to track pap smear results in an outpatient clinic in a hospital-based residency-training program. Observational study of impact of changes obtained through application of Six-Sigma principles in clinic process with particular attention to prevention of sentinel events. Using cohort analysis and applying Six-Sigma principles to an interactive electronic medical record Soarian workflow engine, we designed a system of timely accession and reporting of pap smear and pathology results. We compared manual processes from January 1, 2007 to February 28, 2008 to automated processes from March 1, 2008 to December 31, 2009. Using the Six-Sigma principles, CAP/WO tools, including "voice of the customer" and team focused approach, no outlier events went untracked. Applying the Soarian workflow engine to track prescribed 7 day turnaround time for completion, we identified 148 pap results in 3,936, 3 non-gynecological results in 15, and 41 surgical results in 246. We applied Six-Sigma principles to an outpatient clinic facilitating an interdisciplinary team approach to improve the clinic's reporting system. Through focused problem assessment, verification of process, and validation of outcomes, we improved patient care for pap smears and critical pathology. © 2011 National Association for Healthcare Quality.

Governance of nanotechnology and nanomaterials: principles, regulation, and renegotiating the social contract.

PubMed

Kimbrell, George A

2009-01-01

Good governance for nanotechnology and nanomaterials is predicated on principles of general good governance. This paper discusses on what lessons we can learn from the oversight of past emerging technologies in formulating these principles. Nanotechnology provides us a valuable opportunity to apply these lessons and a duty to avoid repeating past mistakes. To do that will require mandatory regulation, grounded in precaution, that takes into account the uniqueness of nanomaterials. Moreover, this policy dialogue is not taking place in a vacuum. In applying the lessons of the past, nanotechnology provides a window to renegotiate our public's social contract on chemicals, health, the environment, and risks. Emerging technologies illuminate structural weaknesses, providing a crucial chance to ameliorate lingering regulatory inadequacies and provide much needed updates of existing laws.

The precautionary principle is incoherent.

PubMed

Peterson, Martin

2006-06-01

This article argues that no version of the precautionary principle can be reasonably applied to decisions that may lead to fatal outcomes. In support of this strong claim, a number of desiderata are proposed, which reasonable rules for rational decision making ought to satisfy. Thereafter, two impossibility theorems are proved, showing that no version of the precautionary principle can satisfy the proposed desiderata. These theorems are directly applicable to recent discussions of the precautionary principle in medicine, biotechnology, environmental management, and related fields. The impossibility theorems do not imply, however, that the precautionary principle is of no relevance at all in policy discussions. Even if it is not a reasonable rule for rational decision making, it is possible to interpret the precautionary principle in other ways, e.g., as an argumentative tool or as an epistemic principle favoring a reversed burden of proof.

Communicating with the public about risk

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

Wade, C R; Molony, S T; Durbin, M E

1992-01-01

Risk communication is a growing specialty field in communication that draws from well-established principles of sociology and psychology. It is a new way to communicate with potentially hostile audiences about sensitive environmental, safety, and health issues they face. This paper explains the most important principles of risk communication and discusses audience analyses, perceptions of risk (outrage factors), and risk comparisons. These principles are applied to a risk communication issue in Malhuevo, a fictitious Arizona community.

Why robots should not be delegated with the decision to kill

NASA Astrophysics Data System (ADS)

Sharkey, Noel

2017-04-01

The EPSRC first principle of robotics, "robots should not be designed solely or primarily to kill or harm humans, except in the interests of national security", is challenged in detail here. Focusing on security and armed conflict, arguments are marshalled against the principle on ethical, legal, technical and security grounds. A new principle is proposed that robots should never be delegated with the decision to apply violent force to humans.

26 CFR 25.2515-4 - Termination of tenancy by entirety; cases in which none, or a portion only, of value of gift is...

Code of Federal Regulations, 2010 CFR

2010-04-01

... principles set forth in § 25.2511-1. Under those principles, when a spouse surrenders a property interest in... surrendered, that spouse is deemed to have made a gift in an amount equal to the difference between the value... husband of $5,029. The principles applied in paragraph (c) of § 25.2515-2 for the method of determining...

Applying Pedagogical Principles to Grammar Instruction

ERIC Educational Resources Information Center

Kanda, Makiko; Beglar, David

2004-01-01

The purpose of this study was to investigate the effectiveness of two experimental methods of teaching the present progressive verb tense based on four instructional principles: teach form-function relations, compare similar grammatical forms, promote learner autonomy, and provide opportunities for generative use. Ninety-nine Japanese first-year…

Educating for Wisdom and Compassion: Creating Conditions for Timeless Learning

ERIC Educational Resources Information Center

Miller, John P.

2005-01-01

Blending philosophy, research, and three decades of practice, the author offers an engaging discussion of essential principles of timeless learning, including attention, contemplation, connection, participation, responsibility, wholeness, and joy. Educators in today's schools can apply these principles, models, and methods to inform instruction in…

An Evaporative Cooling Model for Teaching Applied Psychrometrics

ERIC Educational Resources Information Center

Johnson, Donald M.

2004-01-01

Evaporative cooling systems are commonly used in controlled environment plant and animal production. These cooling systems operate based on well defined psychrometric principles. However, students often experience considerable difficulty in learning these principles when they are taught in an abstract, verbal manner. This article describes an…

Application of Hands-On Simulation Games to Improve Classroom Experience

ERIC Educational Resources Information Center

Hamzeh, Farook; Theokaris, Christina; Rouhana, Carel; Abbas, Yara

2017-01-01

While many construction companies claim substantial productivity and profit gains when applying lean construction principles, it remains a challenge to teach these principles in a classroom. Lean construction emphasises collaborative processes and integrated delivery practices. Consequently, new teaching methods that nurture such values should…

Enhancing the Therapy Experience Using Principles of Video Game Design.

PubMed

Folkins, John Wm; Brackenbury, Tim; Krause, Miriam; Haviland, Allison

2016-02-01

This article considers the potential benefits that applying design principles from contemporary video games may have on enhancing therapy experiences. Six principles of video game design are presented, and their relevance for enriching clinical experiences is discussed. The motivational and learning benefits of each design principle have been discussed in the education literature as having positive impacts on student motivation and learning and are related here to aspects of clinical practice. The essential experience principle suggests connecting all aspects of the experience around a central emotion or cognitive connection. The discovery principle promotes indirect learning in focused environments. The risk-taking principle addresses the uncertainties clients face when attempting newly learned skills in novel situations. The generalization principle encourages multiple opportunities for skill transfer. The reward system principle directly relates to the scaffolding of frequent and varied feedback in treatment. Last, the identity principle can assist clients in using their newly learned communication skills to redefine self-perceptions. These principles highlight areas for research and interventions that may be used to reinforce or advance current practice.

Fundamentals of fluid lubrication

NASA Technical Reports Server (NTRS)

Hamrock, Bernard J.

1991-01-01

The aim is to coordinate the topics of design, engineering dynamics, and fluid dynamics in order to aid researchers in the area of fluid film lubrication. The lubrication principles that are covered can serve as a basis for the engineering design of machine elements. The fundamentals of fluid film lubrication are presented clearly so that students that use the book will have confidence in their ability to apply these principles to a wide range of lubrication situations. Some guidance on applying these fundamentals to the solution of engineering problems is also provided.

How to create a health care organization that can succeed in an unpredictable future.

PubMed

Olden, Peter C; Haynos, Jessika

2013-01-01

For those who manage organizations, it has been said that success does not come from predicting the future but instead comes from creating an organization that can succeed in an unpredictable future. Managers are responsible for creating such an organization. To do that, managers can apply management-related principles and methods. This article explains selected principles of organization structure, human resources, culture, decision making, and change management and how to apply them to health care organizations. If done well, that will help such organizations succeed in an unpredictable future.

Addiction Research Ethics and the Belmont Principles: Do Drug Users Have a Different Moral Voice?

PubMed Central

Fisher, Celia B.

2013-01-01

This study used semi-structured interviews and content analysis to examine moral principles that street drug users apply to three hypothetical addiction research ethical dilemmas. Participants (n = 90) were ethnically diverse, economically disadvantaged drug users recruited in New York City in 2009. Participants applied a wide range of contextually sensitive moral precepts, including respect, beneficence, justice, relationality, professional obligations, rules, and pragmatic self-interest. Limitations and implications for future research and the responsible conduct of addiction research are discussed. PMID:21073412

Nanosecond to submillisecond dynamics in dye-labeled single-stranded DNA, as revealed by ensemble measurements and photon statistics at single-molecule level.

PubMed

Kaji, Takahiro; Ito, Syoji; Iwai, Shigenori; Miyasaka, Hiroshi

2009-10-22

Single-molecule and ensemble time-resolved fluorescence measurements were applied for the investigation of the conformational dynamics of single-stranded DNA, ssDNA, connected with a fluorescein dye by a C6 linker, where the motions both of DNA and the C6 linker affect the geometry of the system. From the ensemble measurement of the fluorescence quenching via photoinduced electron transfer with a guanine base in the DNA sequence, three main conformations were found in aqueous solution: a conformation unaffected by the guanine base in the excited state lifetime of fluorescein, a conformation in which the fluorescence is dynamically quenched in the excited-state lifetime, and a conformation leading to rapid quenching via nonfluorescent complex. The analysis by using the parameters acquired from the ensemble measurements for interphoton time distribution histograms and FCS autocorrelations by the single-molecule measurement revealed that interconversion in these three conformations took place with two characteristic time constants of several hundreds of nanoseconds and tens of microseconds. The advantage of the combination use of the ensemble measurements with the single-molecule detections for rather complex dynamic motions is discussed by integrating the experimental results with those obtained by molecular dynamics simulation.

Ultrafast water sensing and thermal imaging by a metal-organic framework with switchable luminescence

NASA Astrophysics Data System (ADS)

Chen, Ling; Ye, Jia-Wen; Wang, Hai-Ping; Pan, Mei; Yin, Shao-Yun; Wei, Zhang-Wen; Zhang, Lu-Yin; Wu, Kai; Fan, Ya-Nan; Su, Cheng-Yong

2017-06-01

A convenient, fast and selective water analysis method is highly desirable in industrial and detection processes. Here a robust microporous Zn-MOF (metal-organic framework, Zn(hpi2cf)(DMF)(H2O)) is assembled from a dual-emissive H2hpi2cf (5-(2-(5-fluoro-2-hydroxyphenyl)-4,5-bis(4-fluorophenyl)-1H-imidazol-1-yl)isophthalic acid) ligand that exhibits characteristic excited state intramolecular proton transfer (ESIPT). This Zn-MOF contains amphipathic micropores (<3 Å) and undergoes extremely facile single-crystal-to-single-crystal transformation driven by reversible removal/uptake of coordinating water molecules simply stimulated by dry gas blowing or gentle heating at 70 °C, manifesting an excellent example of dynamic reversible coordination behaviour. The interconversion between the hydrated and dehydrated phases can turn the ligand ESIPT process on or off, resulting in sensitive two-colour photoluminescence switching over cycles. Therefore, this Zn-MOF represents an excellent PL water-sensing material, showing a fast (on the order of seconds) and highly selective response to water on a molecular level. Furthermore, paper or in situ grown ZnO-based sensing films have been fabricated and applied in humidity sensing (RH<1%), detection of traces of water (<0.05% v/v) in various organic solvents, thermal imaging and as a thermometer.

Simultaneous quantification of cortisol and cortisone in urines from infants with packed-fiber solid-phase extraction coupled to HPLC-MS/MS.

PubMed

Li, Chen; Zhang, Zhao; Liu, Xiongwei; Shen, Kangwei; Gu, Pan; Kang, Xuejun

2017-09-01

Cortisol and cortisone are two important glucocorticoids in human body, their interconversion is controlled by two isotypes of 11β-hydroxy steroid dehydrogenase (11β-HSD1 and 11β-HSD2). The ratio of urinary cortisol to cortisone can be used to assess the activity of 11β-HSDs. An analytical method to quantify urinary cortisol and cortisone using high performance liquid chromatographic tandem mass spectrometry following a packed-fiber solid-phase extraction (PFSPE) was developed. The proposed method was validated and applied to determine the urinary cortisol and cortisone concentrations in infants. Linearity was observed in the range of 0.6-150ng/mL for cortisol and 0.8-200ng/mL for cortisone. The intra-day RSD was 2.4-4.5% for cortisol and 3.3-6.2% for cortisone. Inter-day RSD was 3.7-6.6% for cortisol and 4.3-8.2% for cortisone. The recovery was 97.8±4.6% for cortisol and 98.9±4.4% for cortisone. The established method is simple and efficient for the quantification of urinary cortisol and cortisone and for indirectly assessing the activity of 11β-hydroxy steroid dehydrogenase. Copyright © 2017 Elsevier B.V. All rights reserved.

Quantum mechanical model for the anticarcinogenic effect of extremely-low-frequency electromagnetic fields on early chemical hepatocarcinogenesis

NASA Astrophysics Data System (ADS)

Godina-Nava, Juan José; Torres-Vega, Gabino; López-Riquelme, Germán Octavio; López-Sandoval, Eduardo; Samana, Arturo Rodolfo; García Velasco, Fermín; Hernández-Aguilar, Claudia; Domínguez-Pacheco, Arturo

2017-02-01

Using the conventional Haberkorn approach, it is evaluated the recombination of the radical pair (RP) singlet spin state to study theoretically the cytoprotective effect of an extremely-low-frequency electromagnetic field (ELF-EMF) on early stages of hepatic cancer chemically induced in rats. The proposal is that ELF-EMF modulates the interconversion rate of singlet and triplet spin states of the RP populations modifying the products from the metabolization of carcinogens. Previously, we found that the daily treatment with ELF-EMF 120 Hz inhibited the number and area of preneoplastic lesions in chemical carcinogenesis. The singlet spin population is evaluated diagonalizing the spin density matrix through the Lanczos method in a radical pair mechanism (RPM). Using four values of the interchange energy, we have studied the variations over the singlet population. The low magnetic field effect as a test of the influence over the enzymatic chemical reaction is evaluated calculating the quantum yield. Through a bootstrap technique the range is found for the singlet decay rate for the process. Applying the quantum measurements concept, we addressed the impact toward hepatic cells. The result contributes to improving our understanding of the chemical carcinogenesis process affected by charged particles that damage the DNA.

Electrochemistry of metalloproteins: protein film electrochemistry for the study of E. coli [NiFe]-hydrogenase-1.

PubMed

Evans, Rhiannon M; Armstrong, Fraser A

2014-01-01

Protein film electrochemistry is a technique which allows the direct control of redox-active enzymes, providing particularly detailed information on their catalytic properties. The enzyme is deposited onto a working electrode tip, and through control of the applied potential the enzyme activity is monitored as electrical current, allowing for direct study of inherent activity as electrons are transferred to and from the enzyme redox center(s). No mediators are used. Because the only enzyme present in the experiment is bound at the electrode surface, gaseous and liquid phase inhibitors can be introduced and removed whilst the enzyme remains in situ. Potential control means that kinetics and thermodynamics are explored simultaneously; the kinetics of a reaction can be studied as a function of potential. Steady-state catalytic rates are observed directly as current (for a given potential) and non-steady-state rates (such as interconversions between different forms of the enzyme) are observed from the change in current with time. The more active the enzyme, the higher the current and the better the signal-to-noise. In this chapter we outline the practical aspects of PFE for studying electroactive enzymes, using the Escherichia coli [NiFe]-hydrogenase 1 (Hyd-1) as an example.

Clinical application of 'Justification' and 'Optimization' principle of ALARA in pediatric CT imaging: "How many children can be protected from unnecessary radiation?".

PubMed

Sodhi, Kushaljit S; Krishna, Satheesh; Saxena, Akshay K; Sinha, Anindita; Khandelwal, Niranjan; Lee, Edward Y

2015-09-01

Practice of ALARA (as low as reasonably achievable) principle in the developed world is currently well established. However, there is striking lack of published data regarding such experience in the developing countries. Therefore, the goal of this study is to prospectively evaluate CT request forms to assess how many children could be protected from harmful radiation exposure if 'Justification' and 'Optimization' principles of ALARA are applied before obtaining CT imaging in a developing country. This can save children from potential radiation risks including development of brain cancer and leukemia. Consecutive CT request forms over a six month study period (May 16, 2013 to November 15, 2013) in a tertiary pediatric children's hospital in India were prospectively reviewed by two pediatric radiologists before obtaining CT imaging. First, 'Justification' of CT was evaluated and then 'Optimization' was applied for evaluation of appropriateness of the requested CT studies. The number (and percentage) of CT studies avoided by applying 'Justification' and 'Optimization' principle of ALARA were calculated. The difference in number of declined and optimized CT requests between CT requests from inpatient and outpatient departments was compared using Chi-Square test. A total of 1302 consecutive CT request forms were received during the study period. Some of the request forms (n=86; 6.61%) had requests for more than one (multiple) anatomical regions, hence, a total of 1392 different anatomical CT requests were received. Based on evaluation of the CT request forms for 'Justification' and 'Optimization' principle of ALARA by pediatric radiology reviewers, 111 individual anatomic part CT requests from 105 pediatric patients were avoided. Therefore, 8.06% (105 out of 1302 pediatric patients) were protected from unnecessary or additional radiation exposure.The rates of declined or optimized CT requests from inpatient department was significantly higher than that from outpatient departments (p<0.05). A substantial number of pediatric patients, particularly coming from outpatient departments, can be protected from unnecessary or additional radiation exposure from CT imaging when 'Justification' and 'Optimization' principle of ALARA are applied before obtaining CT imaging in a developing country. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

76 FR 7526 - Major System Acquisition; Earned Value Management

Federal Register 2010, 2011, 2012, 2013, 2014

2011-02-10

... for engineering support services, steady state operations, basic and applied research, and routine... the requirements in the NASA NPR to apply EVM principles at the program/project level; nor is it...

Disability retirement

NASA Technical Reports Server (NTRS)

Eck, R. L.

1975-01-01

Eligibility for disability retirement is discussed. General guidelines and a few standards are given. Usually the same basic medical principles apply to the evaluation of claims for disability retirement as apply to determining medical suitability for initial employment.

Relevance and limits of the principle of "equivalence of care" in prison medicine.

PubMed

Niveau, Gérard

2007-10-01

The principle of "equivalence of care" in prison medicine is a principle by which prison health services are obliged to provide prisoners with care of a quality equivalent to that provided for the general public in the same country. It is cited in numerous national and international directives and recommendations. The principle of equivalence is extremely relevant from the point of view of normative ethics but requires adaptation from the point of view of applied ethics. From a clinical point of view, the principle of equivalence is often insufficient to take account of the adaptations necessary for the organization of care in a correctional setting. The principle of equivalence is cost-effective in general, but has to be overstepped to ensure the humane management of certain special cases.

Insurance principles and the design of prospective payment systems.

PubMed

Ellis, R P; McGuire, T G

1988-09-01

This paper applies insurance principles to the issues of optimal outlier payments and designation of peer groups in Medicare's case-based prospective payment system for hospital care. Arrow's principle that full insurance after a deductible is optimal implies that, to minimize hospital risk, outlier payments should be based on hospital average loss per case rather than, as at present, based on individual case-level losses. The principle of experience rating implies defining more homogenous peer groups for the purpose of figuring average cost. The empirical significance of these results is examined using a sample of 470,568 discharges from 469 hospitals.

Ethical Decisions in Experience-Based Training and Development Programs.

ERIC Educational Resources Information Center

Gass, Michael A.; Wurdinger, Scott

1993-01-01

Illustrates how principle and virtue ethics can be applied to decision-making processes in experience-based training and development programs. Principle ethics is guided by predetermined rules and assumes that issues being examined are somewhat similar in context, whereas virtue ethics assumes that "correct behavior" is determined from…

Total Quality Management for Schools.

ERIC Educational Resources Information Center

Greenwood, Malcolm S.; Gaunt, Helen J.

Education in the United Kingdom has been shaped by the advent of local school management and the rapid growth of grant-maintained schools. Total Quality Management (TQM) offers a new way of looking at management principles and structures by identifying the needs of both internal and external customers. This book applies principles of TQM…

The Social Side of School: Why Teachers Need Social Psychology

ERIC Educational Resources Information Center

Gehlbach, Hunter

2010-01-01

Teaching and learning are fundamentally social enterprises. In attempting to understand, explain, and predict social behavior, social psychologists have amassed scores of empirically grounded, fundamental principles. Yet, many such principles have yet to be applied to classrooms despite the social nature of these settings. This article illustrates…

Contractual considerations in veterinary practice.

PubMed

Grossman, M R; Scoggins, G A

1993-09-01

Veterinary medicine is a profession based on contract. Many aspects of veterinary practice involve legally enforceable contract obligations. Legal rules established by statutes or court cases govern contract formation, interpretation, and enforcement. This article explains several legal principles governing contract law and applies some of these principles to common contractual settings in veterinary medicine.

19 CFR 152.16 - Judicial changes in classification.

Code of Federal Regulations, 2013 CFR

2013-04-01

... decision of either the United States Court of International Trade or the United States Court of Appeals for... Government. The principles of any court decision favorable to the Government shall be applied to all... consumption or warehouse. (b) Similar merchandise under decision favorable to Government. The principles of...

19 CFR 152.16 - Judicial changes in classification.

Code of Federal Regulations, 2012 CFR

2012-04-01

... decision of either the United States Court of International Trade or the United States Court of Appeals for... Government. The principles of any court decision favorable to the Government shall be applied to all... consumption or warehouse. (b) Similar merchandise under decision favorable to Government. The principles of...

19 CFR 152.16 - Judicial changes in classification.

Code of Federal Regulations, 2011 CFR

2011-04-01

... decision of either the United States Court of International Trade or the United States Court of Appeals for... Government. The principles of any court decision favorable to the Government shall be applied to all... consumption or warehouse. (b) Similar merchandise under decision favorable to Government. The principles of...

Reference Collection Development Policy.

ERIC Educational Resources Information Center

Nebraska Univ., Kearney.

The purpose of this policy is to outline those principles that guide the development of the Reference Collection at the Calvin T. Ryan Library, University of Nebraska at Kearney. It clarifies, records, and makes public the basic principles that the members of the Reference Department believe should be applied in adding items to or withdrawing…

Interactive Distance Education: A Cognitive Load Perspective

ERIC Educational Resources Information Center

Kalyuga, Slava

2012-01-01

Evidence-based approaches to the design of the next generation of interactive distance education need to take into account established multimedia learning principles. Cognitive load theory is a theory that has significantly contributed to the development of such principles. It has applied our knowledge of major features and processing limitations…

A Market Failure Approach to Linguistic Justice

ERIC Educational Resources Information Center

Robichaud, David

2017-01-01

This paper will consider language management from the perspective of efficiency, and will set the grounds for a new approach to linguistic justice: a market failure approach. The principle of efficiency emphasises the need to satisfy individuals' preferences in an optimal way. Applying this principle with regard to language would justify language…

Applying Cognitive Psychology Based Instructional Design Principles in Mathematics Teaching and Learning: Introduction

ERIC Educational Resources Information Center

Verschaffel, Lieven; Van Dooren, W.; Star, J.

2017-01-01

This special issue comprises contributions that address the breadth of current lines of recent research from cognitive psychology that appear promising for positively impacting students' learning of mathematics. More specifically, we included contributions (a) that refer to cognitive psychology based principles and techniques, such as explanatory…

76 FR 16038 - Proposed Collection; Comment Request for Prepaid Card Marketing Customer Survey, CS-10-251.

Federal Register 2010, 2011, 2012, 2013, 2014

2011-03-22

... of social marketing. Social marketing principles and practices apply marketing principles to social... Prepaid Card Marketing Customer Survey, CS-10-251. AGENCY: Internal Revenue Service (IRS), Treasury..., the IRS is soliciting comments concerning Prepaid Card Marketing Customer Survey, CS-10-251 DATES...

26 CFR 1.263A-1 - Uniform capitalization of costs.

Code of Federal Regulations, 2010 CFR

2010-04-01

... these terms and conditions, the principles of § 1.263A-7 must be applied in revaluing inventory property... tax principles. In determining whether a taxpayer is a bona-fide service provider under this paragraph... costs are marketing, selling, advertising, and distribution costs. (B) Research and experimental...

Using Gestalt Theory to Teach Document Design and Graphics.

ERIC Educational Resources Information Center

Moore, Patrick; Fitz, Chad

1993-01-01

Presents a brief overview of Gestalt theory. Discusses and illustrates six key principles of Gestalt psychology as they apply to document design and graphics. Presents exercise that students may use to improve their understanding of the principles and develop their document design skills. Distinguishes between Gestalt theory and rhetoric. (RS)

Clinical Application Projects (CAPs) for Health Science Students in Introductory Microbiology.

ERIC Educational Resources Information Center

Halyard, Rebecca A.

Clinical Application Projects (CAPs) have been developed that allow dental hygiene and nursing students to apply introductory microbiology principles and skills learned in lecture and laboratory to a problem in an appropriate clinical situation. CAPs therefore substitute for the traditional study of "unknowns". Principles and processes emphasized…

Applying Scientific Principles to Resolve Student Misconceptions

ERIC Educational Resources Information Center

Yin, Yue

2012-01-01

Misconceptions about sinking and floating phenomena are some of the most challenging to overcome (Yin 2005), possibly because explaining sinking and floating requires students to understand challenging topics such as density, force, and motion. Two scientific principles are typically used in U.S. science curricula to explain sinking and floating:…

Implementing the Common Core: Applying Shifts to Instruction

ERIC Educational Resources Information Center

Gaddy, Angeline K.; Harmon, Shannon E.; Barlow, Angela T.; Milligan, Charles D.; Huang, Rongjin

2014-01-01

With such publications as "Curriculum and Evaluation Standards" (1989) and "Principles and Standards for School Mathematic" (2000), NCTM has played a significant role in defining a vision for school mathematics. In particular, the Curriculum Principle (NCTM 2000, pp. 14-16) described the need for students to learn important…

Analyzing International Letters in a Business Communication Class.

ERIC Educational Resources Information Center

Devet, Bonnie

1998-01-01

Shows how students can use persuasive principles of communication (format and writer's purpose) and of classical rhetoric (organization, ethos, pathos, logos, and style) to improve their ability to analyze business letters. Shows how applying these principles to the analysis of business letters from other countries helps students write better and…

Counseling Families Using Principles of Re-EDucation

ERIC Educational Resources Information Center

Shepard, Lisa

2011-01-01

When Nicholas Hobbs created the Re-EDucation model, he envisioned that this philosophy would inform multiple disciplines. Today, Re-ED is widely applied to work with troubled children in day treatment, school-based services, residential settings, and therapeutic wilderness programs. Hobbs outlined a dozen Principles of Re-EDucation that are…

Global War on Terrorism: Executing War without Unity of Command

DTIC Science & Technology

2007-03-09

41 outlined 14 principles of management , which apply to this discussion. He states, “authority and responsibility, unity of command, unity of...Fayol, “General Principles of Management ,” in Classics of Organization Theory, ed. Jay M. Shafritz, J. Steven Ott, and Yong Suk Jang (Belmont,CA

Computationally efficient characterization of potential energy surfaces based on fingerprint distances

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

Schaefer, Bastian; Goedecker, Stefan, E-mail: stefan.goedecker@unibas.ch

2016-07-21

An analysis of the network defined by the potential energy minima of multi-atomic systems and their connectivity via reaction pathways that go through transition states allows us to understand important characteristics like thermodynamic, dynamic, and structural properties. Unfortunately computing the transition states and reaction pathways in addition to the significant energetically low-lying local minima is a computationally demanding task. We here introduce a computationally efficient method that is based on a combination of the minima hopping global optimization method and the insight that uphill barriers tend to increase with increasing structural distances of the educt and product states. This methodmore » allows us to replace the exact connectivity information and transition state energies with alternative and approximate concepts. Without adding any significant additional cost to the minima hopping global optimization approach, this method allows us to generate an approximate network of the minima, their connectivity, and a rough measure for the energy needed for their interconversion. This can be used to obtain a first qualitative idea on important physical and chemical properties by means of a disconnectivity graph analysis. Besides the physical insight obtained by such an analysis, the gained knowledge can be used to make a decision if it is worthwhile or not to invest computational resources for an exact computation of the transition states and the reaction pathways. Furthermore it is demonstrated that the here presented method can be used for finding physically reasonable interconversion pathways that are promising input pathways for methods like transition path sampling or discrete path sampling.« less

Assessment of chemical exchange in tryptophan-albumin solution through (19)F multicomponent transverse relaxation dispersion analysis.

PubMed

Lin, Ping-Chang

2015-06-01

A number of NMR methods possess the capability of probing chemical exchange dynamics in solution. However, certain drawbacks limit the applications of these NMR approaches, particularly, to a complex system. Here, we propose a procedure that integrates the regularized nonnegative least squares (NNLS) analysis of multiexponential T2 relaxation into Carr-Purcell-Meiboom-Gill (CPMG) relaxation dispersion experiments to probe chemical exchange in a multicompartmental system. The proposed procedure was validated through analysis of (19)F T2 relaxation data of 6-fluoro-DL-tryptophan in a two-compartment solution with and without bovine serum albumin. Given the regularized NNLS analysis of a T2 relaxation curve acquired, for example, at the CPMG frequency υ CPMG  = 125, the nature of two distinct peaks in the associated T2 distribution spectrum indicated 6-fluoro-DL-tryptophan either retaining the free state, with geometric mean */multiplicative standard deviation (MSD) = 1851.2 ms */1.51, or undergoing free/albumin-bound interconversion, with geometric mean */MSD = 236.8 ms */1.54, in the two-compartment system. Quantities of the individual tryptophan species were accurately reflected by the associated T2 peak areas, with an interconversion state-to-free state ratio of 0.45 ± 0.11. Furthermore, the CPMG relaxation dispersion analysis estimated the exchange rate between the free and albumin-bound states in this fluorinated tryptophan analog and the corresponding dissociation constant of the fluorinated tryptophan-albumin complex in the chemical-exchanging, two-compartment system.

Pentose phosphates in nucleoside interconversion and catabolism.

PubMed

Tozzi, Maria G; Camici, Marcella; Mascia, Laura; Sgarrella, Francesco; Ipata, Piero L

2006-03-01

Ribose phosphates are either synthesized through the oxidative branch of the pentose phosphate pathway, or are supplied by nucleoside phosphorylases. The two main pentose phosphates, ribose-5-phosphate and ribose-1-phosphate, are readily interconverted by the action of phosphopentomutase. Ribose-5-phosphate is the direct precursor of 5-phosphoribosyl-1-pyrophosphate, for both de novo and 'salvage' synthesis of nucleotides. Phosphorolysis of deoxyribonucleosides is the main source of deoxyribose phosphates, which are interconvertible, through the action of phosphopentomutase. The pentose moiety of all nucleosides can serve as a carbon and energy source. During the past decade, extensive advances have been made in elucidating the pathways by which the pentose phosphates, arising from nucleoside phosphorolysis, are either recycled, without opening of their furanosidic ring, or catabolized as a carbon and energy source. We review herein the experimental knowledge on the molecular mechanisms by which (a) ribose-1-phosphate, produced by purine nucleoside phosphorylase acting catabolically, is either anabolized for pyrimidine salvage and 5-fluorouracil activation, with uridine phosphorylase acting anabolically, or recycled for nucleoside and base interconversion; (b) the nucleosides can be regarded, both in bacteria and in eukaryotic cells, as carriers of sugars, that are made available though the action of nucleoside phosphorylases. In bacteria, catabolism of nucleosides, when suitable carbon and energy sources are not available, is accomplished by a battery of nucleoside transporters and of inducible catabolic enzymes for purine and pyrimidine nucleosides and for pentose phosphates. In eukaryotic cells, the modulation of pentose phosphate production by nucleoside catabolism seems to be affected by developmental and physiological factors on enzyme levels.

Origin of the Absorption Band of Bromophenol Blue in Acidic and Basic pH: Insight from a Combined Molecular Dynamics and TD-DFT/MM Study.

PubMed

Chattopadhyaya, M; Murugan, N Arul; Rinkevicius, Zilvinas

2016-09-15

We study the linear and nonlinear optical properties of a well-known acid-base indicator, bromophenol blue (BPB), in aqueous solution by employing static and integrated approaches. In the static approach, optical properties have been calculated using time-dependent density functional theory (TD-DFT) on the fully relaxed geometries of the neutral and different unprotonated forms of BPB. Moreover, both closed and open forms of BPB were considered. In the integrated approach, the optical properties have been computed over many snapshots extracted from molecular dynamics simulation using a hybrid time-dependent density functional theory/molecular mechanics approach. The static approach suggests closed neutral ⇒ anionic interconversion as the dominant mechanism for the red shift in the absorption spectra of BPB due to a change from acidic to basic pH. It is found by employing an integrated approach that the two interconversions, namely open neutral ⇒ anionic and open neutral ⇒ dianionic, can contribute to the pH-dependent shift in the absorption spectra of BPB. Even though both static and integrated approaches reproduce the pH-dependent red shift in the absorption spectra of BPB, the latter one is suitable to determine both the spectra and spectral broadening. Finally, the computed static first hyperpolarizability for various protonated and deprotonated forms of BPB reveals that this molecule can be used as a nonlinear optical probe for pH sensing in addition to its highly exploited use as an optical probe.

Open Babel: An open chemical toolbox

PubMed Central

2011-01-01

Background A frequent problem in computational modeling is the interconversion of chemical structures between different formats. While standard interchange formats exist (for example, Chemical Markup Language) and de facto standards have arisen (for example, SMILES format), the need to interconvert formats is a continuing problem due to the multitude of different application areas for chemistry data, differences in the data stored by different formats (0D versus 3D, for example), and competition between software along with a lack of vendor-neutral formats. Results We discuss, for the first time, Open Babel, an open-source chemical toolbox that speaks the many languages of chemical data. Open Babel version 2.3 interconverts over 110 formats. The need to represent such a wide variety of chemical and molecular data requires a library that implements a wide range of cheminformatics algorithms, from partial charge assignment and aromaticity detection, to bond order perception and canonicalization. We detail the implementation of Open Babel, describe key advances in the 2.3 release, and outline a variety of uses both in terms of software products and scientific research, including applications far beyond simple format interconversion. Conclusions Open Babel presents a solution to the proliferation of multiple chemical file formats. In addition, it provides a variety of useful utilities from conformer searching and 2D depiction, to filtering, batch conversion, and substructure and similarity searching. For developers, it can be used as a programming library to handle chemical data in areas such as organic chemistry, drug design, materials science, and computational chemistry. It is freely available under an open-source license from http://openbabel.org. PMID:21982300

Nutrient deprivation-related OXPHOS/glycolysis interconversion via HIF-1α/C-MYC pathway in U251 cells.

PubMed

Liu, Zhongjian; Sun, Yang; Tan, Shirui; Liu, Liang; Hu, Suqiong; Huo, Hongyu; Li, Meizhang; Cui, Qinghua; Yu, Min

2016-05-01

Although the Warburg effect is a dominant metabolic phenotype observed in cancers, the metabolic changes and adaptation occurring in tumors have been demonstrated to extend beyond the Warburg effect and thus considered a secondary effect to the transformation process of carcinogenesis, including nutritional deficiencies. However, the role of nutritional deficiencies in this metabolic reprogramming (e. g., oxidative phosphorylation (OXPHOS)/glycolysis interconversion) is not completely known yet. Here, we showed that under regular culture condition, the proliferation of U251 cells, but not other tumor cell lines, preferentially performed the Warburg effect and was remarkably inhibited by oxamic acid which can inhibit the activity of lactate dehydrogenase (LDH); whereas under serum starvation, glycolysis was depressed, tricarboxylic acid cycle (TCA) was enhanced, and the activity of OXPHOS was reinforced to maintain cellular ATP content in a high level, but interestingly, we observed a decreased expression of reactive oxygen species (ROS). Moreover, the upregulated activity of mitochondrial complex I was confirmed by Western blots and showed that the mitochondrial-related protein, NDUFA9, NDUFB8, ND1, and VDAC1 were remarkably increased after serum starved. Mechanistically, nutritional deficiencies could reduce hypoxia-inducible factor α (HIF-1α) protein expression to increase C-MYC protein level, which in turn increased nuclear respiratory factor 1 (NRF1) and mitochondrial transcription factor A (TFAM) transcription to enhance the activity of OXPHOS, suggesting that metabolic reprogramming by the changes of microenvironment during the carcinogenesis can provide some novel therapeutic clues to traditional cancer treatments.

Phase Competition and Magnetotransport Phenomena in Manganite Films and Mesoscopic Structures

NASA Astrophysics Data System (ADS)

Wu, Tom

2006-03-01

The importance of competition between ferromagnetic metallic (FMM) and charge-ordered insulating (COI) phases in the physics of bulk manganites has been established through a wide variety of techniques. One exotic consequence of this phase competition is step-like features in magnetotransport observed in bulk and single-crystals of Pr0.65(CaySr1-y)0.35MnO3 (PCSMO) with 0.7<=y<=0.8. The length-scale of the phase coexistence is ˜1 micron, motivating a study of structures with dimensions similar to this natural length scale where phenomenology distinct from that of bulk counterparts is expected. Toward that end, we have synthesized films and laterally confined mesoscopic bridges of PCSMO and studied their magnetotransport properties. In particular, we observed: (1) Intrinsic ultrasharp magnetization steps below 5 K in both bulk and film samples and their dependence on the extrinsic measurement protocols; (2) Spontaneous jumps of resistance during both the ramping of magnetic field and the relaxation after the field cycle; (3) I-V curves exhibiting negative differential resistance (NDR) in certain ranges of temperature and magnetic field. All of these phenomena can be explained in the context of interconversion between the COI phase and the FMM phase. As expected, this interconversion can be triggered by external magnetic field, as found in the case of the magnetization and resistance steps. Alternatively, in the mesoscopic structures with dimensions similar to the size of the competing FMM and COI domains, a local Joule heating-induced annihilation of conducting filaments causes the anomalous NDR.

Principles of Development of Model Health Care Programmes. Report on a WHO Meeting. (Turku, Finland, May 3-6, 1982). EURO Reports and Studies 96.

ERIC Educational Resources Information Center

World Health Organization, Copenhagen (Denmark). Regional Office for Europe.

A report is given of the work of a group convened by the World Health Organization (WHO) to address the issues related to the development of Model Health Care Programs (MHCPs), and to apply the principles thus identified to the case of a specific health problem--low back pain. A discussion of the principles of the development of MHCPs includes…

Application of legal principles and medical ethics: multifetal pregnancy and fetal reduction

PubMed Central

Cheong, May Anne; Tay, Catherine Swee Kian

2014-01-01

In the management of complex medical cases such as a multifetal pregnancy, knowledge of the ethical and legal implications is important, alongside having competent medical skills. This article reviews these principles and applies them to scenarios of multifetal pregnancy and fetal reduction. Such a discussion is not solely theoretical, but is also relevant to clinical practice. The importance of topics such as bioethical principles and informed consent are also herein addressed. PMID:25017403

Principles of managing Vancouver type B periprosthetic fractures around cemented polished tapered femoral stems.

PubMed

Quah, Conal; Porteous, Matthew; Stephen, Arthur

2017-05-01

The management of periprosthetic fractures around total hip replacements is a complex and challenging problem. Getting it right first time is an important factor in reducing the morbidity, mortality and financial burden associated with these injuries. Understanding and applying the basic principles of fracture management helps increase the chance of successful treatment. Based on these principles, we suggest a treatment algorithm for managing periprosthetic fractures around polished tapered femoral stems.

Computer-Based Training Development and Guidance for the Army’s Unmanned Aviation Systems Maintenance Training Division

DTIC Science & Technology

2017-08-01

principles for effective Computer-Based Training (CBT) that can be applied broadly to Army courses to build and evaluate exemplar CBT for Army advanced...individual training courses. To assist cadre who do not have a dedicated instructional design team, the Computer-Based Training Principles Guide was...document is the resulting contents, organization, and presentation style of the Computer- Based Training Principles Guide and its companion User’s Guide

Applying Tactical Resources Against Strategic Challenges: The Ethical Pitfalls of MEDCAPs as an Instrument of National Policy

DTIC Science & Technology

2010-05-03

the principles of ownership, capacity building, and sustainability to enhance the host nation government’s ability to provide long-term health care to...utilized to select patients for care violate the ethical principle of justice, i.e., equal distribution of goods or services. Many people are... care is provided for the most ailing patients, upholding the principle of beneficence. Physicians participating in MEDCAP missions are unable to

How Many Is Enough?—Statistical Principles for Lexicostatistics

PubMed Central

Zhang, Menghan; Gong, Tao

2016-01-01

Lexicostatistics has been applied in linguistics to inform phylogenetic relations among languages. There are two important yet not well-studied parameters in this approach: the conventional size of vocabulary list to collect potentially true cognates and the minimum matching instances required to confirm a recurrent sound correspondence. Here, we derive two statistical principles from stochastic theorems to quantify these parameters. These principles validate the practice of using the Swadesh 100- and 200-word lists to indicate degree of relatedness between languages, and enable a frequency-based, dynamic threshold to detect recurrent sound correspondences. Using statistical tests, we further evaluate the generality of the Swadesh 100-word list compared to the Swadesh 200-word list and other 100-word lists sampled randomly from the Swadesh 200-word list. All these provide mathematical support for applying lexicostatistics in historical and comparative linguistics. PMID:28018261

Soft magnetic tweezers: a proof of principle.

PubMed

Mosconi, Francesco; Allemand, Jean François; Croquette, Vincent

2011-03-01

We present here the principle of soft magnetic tweezers which improve the traditional magnetic tweezers allowing the simultaneous application and measurement of an arbitrary torque to a deoxyribonucleic acid (DNA) molecule. They take advantage of a nonlinear coupling regime that appears when a fast rotating magnetic field is applied to a superparamagnetic bead immersed in a viscous fluid. In this work, we present the development of the technique and we compare it with other techniques capable of measuring the torque applied to the DNA molecule. In this proof of principle, we use standard electromagnets to achieve our experiments. Despite technical difficulties related to the present implementation of these electromagnets, the agreement of measurements with previous experiments is remarkable. Finally, we propose a simple way to modify the experimental design of electromagnets that should bring the performances of the device to a competitive level.

Lead-time reduction utilizing lean tools applied to healthcare: the inpatient pharmacy at a local hospital.

PubMed

Al-Araidah, Omar; Momani, Amer; Khasawneh, Mohammad; Momani, Mohammed

2010-01-01

The healthcare arena, much like the manufacturing industry, benefits from many aspects of the Toyota lean principles. Lean thinking contributes to reducing or eliminating nonvalue-added time, money, and energy in healthcare. In this paper, we apply selected principles of lean management aiming at reducing the wasted time associated with drug dispensing at an inpatient pharmacy at a local hospital. Thorough investigation of the drug dispensing process revealed unnecessary complexities that contribute to delays in delivering medications to patients. We utilize DMAIC (Define, Measure, Analyze, Improve, Control) and 5S (Sort, Set-in-order, Shine, Standardize, Sustain) principles to identify and reduce wastes that contribute to increasing the lead-time in healthcare operations at the pharmacy understudy. The results obtained from the study revealed potential savings of > 45% in the drug dispensing cycle time.

Operationalising the Lean principles in maternity service design using 3P methodology

PubMed Central

Smith, Iain

2016-01-01

The last half century has seen significant changes to Maternity services in England. Though rates of maternal and infant mortality have fallen to very low levels, this has been achieved largely through hospital admission. It has been argued that maternity services may have become over-medicalised and service users have expressed a preference for more personalised care. NHS England's national strategy sets out a vision for a modern maternity service that continues to deliver safe care whilst also adopting the principles of personalisation. Therefore, there is a need to develop maternity services that balance safety with personal choice. To address this challenge, a maternity unit in North East England considered improving their service through refurbishment or building new facilities. Using a design process known as the production preparation process (or 3P), the Lean principles of understanding user value, mapping value-streams, creating flow, developing pull processes and continuous improvement were applied to the design of a new maternity department. Multiple stakeholders were engaged in the design through participation in a time-out (3P) workshop in which an innovative pathway and facility for maternity services were co-designed. The team created a hybrid model that they described as “wrap around care” in which the Lean concept of pull was applied to create a service and facility design in which expectant mothers were put at the centre of care with clinicians, skills, equipment and supplies drawn towards them in line with acuity changes as needed. Applying the Lean principles using the 3P method helped stakeholders to create an innovative design in line with the aspirations and objectives of the National Maternity Review. The case provides a practical example of stakeholders applying the Lean principles to maternity services and demonstrates the potential applicability of the Lean 3P approach to design healthcare services in line with policy requirements. PMID:27933146

Operationalising the Lean principles in maternity service design using 3P methodology.

PubMed

Smith, Iain

2016-01-01

The last half century has seen significant changes to Maternity services in England. Though rates of maternal and infant mortality have fallen to very low levels, this has been achieved largely through hospital admission. It has been argued that maternity services may have become over-medicalised and service users have expressed a preference for more personalised care. NHS England's national strategy sets out a vision for a modern maternity service that continues to deliver safe care whilst also adopting the principles of personalisation. Therefore, there is a need to develop maternity services that balance safety with personal choice. To address this challenge, a maternity unit in North East England considered improving their service through refurbishment or building new facilities. Using a design process known as the production preparation process (or 3P), the Lean principles of understanding user value, mapping value-streams, creating flow, developing pull processes and continuous improvement were applied to the design of a new maternity department. Multiple stakeholders were engaged in the design through participation in a time-out (3P) workshop in which an innovative pathway and facility for maternity services were co-designed. The team created a hybrid model that they described as "wrap around care" in which the Lean concept of pull was applied to create a service and facility design in which expectant mothers were put at the centre of care with clinicians, skills, equipment and supplies drawn towards them in line with acuity changes as needed. Applying the Lean principles using the 3P method helped stakeholders to create an innovative design in line with the aspirations and objectives of the National Maternity Review. The case provides a practical example of stakeholders applying the Lean principles to maternity services and demonstrates the potential applicability of the Lean 3P approach to design healthcare services in line with policy requirements.

Exploring a neuroplasticity model of music therapy.

PubMed

Stegemöller, Elizabeth L

2014-01-01

Given that music therapists work across a wide range of disabilities, it is important that therapists have at least a fundamental understanding of the neurophysiology associated with the client/patient populations that they serve. Yet, there is a large gap of evidence regarding the neurophysiological changes associated with applying music as therapy. The purpose of this article is to provide music therapists with a general background in neuroplasticity principles that can be applied to the use of music therapy with multiple populations. This article will review literature on neuroplasticity and literature supporting the specific attributes of music therapy that apply to neuroplasticity. Finally, examples of how to use neuroplasticity principles to explain and support clinical music therapy will be provided. Using the material presented in this review, music therapists will be equipped with information to effectively communicate why music therapy works using three neuroplasticity principles; increase in dopamine, neural synchrony, and a clear signal. Music therapy is a powerful tool to enhance neuroplasticity in the brain. © the American Music Therapy Association 2014. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Meta-Analyses of Seven of NIDA’s Principles of Drug Addiction Treatment

PubMed Central

Pearson, Frank S.; Prendergast, Michael L.; Podus, Deborah; Vazan, Peter; Greenwell, Lisa; Hamilton, Zachary

2011-01-01

Seven of the 13 Principles of Drug Addiction Treatment disseminated by the National Institute on Drug Abuse (NIDA) were meta-analyzed as part of the Evidence-based Principles of Treatment (EPT) project. By averaging outcomes over the diverse programs included in EPT, we found that five of the NIDA principles examined are supported: matching treatment to the client’s needs; attending to the multiple needs of clients; behavioral counseling interventions; treatment plan reassessment; and counseling to reduce risk of HIV. Two of the NIDA principles are not supported: remaining in treatment for an adequate period of time and frequency of testing for drug use. These weak effects could be the result of the principles being stated too generally to apply to the diverse interventions and programs that exist or of unmeasured moderator variables being confounded with the moderators that measured the principles. Meta-analysis should be a standard tool for developing principles of effective treatment for substance use disorders. PMID:22119178

Meta-analyses of seven of the National Institute on Drug Abuse's principles of drug addiction treatment.

PubMed

Pearson, Frank S; Prendergast, Michael L; Podus, Deborah; Vazan, Peter; Greenwell, Lisa; Hamilton, Zachary

2012-07-01

Of the 13 principles of drug addiction treatment disseminated by the National Institute on Drug Abuse (NIDA), 7 were meta-analyzed as part of the Evidence-based Principles of Treatment (EPT) project. By averaging outcomes over the diverse programs included in the EPT, we found that 5 of the NIDA principles examined are supported: matching treatment to the client's needs, attending to the multiple needs of clients, behavioral counseling interventions, treatment plan reassessment, and counseling to reduce risk of HIV. Two of the NIDA principles are not supported: remaining in treatment for an adequate period and frequency of testing for drug use. These weak effects could be the result of the principles being stated too generally to apply to the diverse interventions and programs that exist or unmeasured moderator variables being confounded with the moderators that measured the principles. Meta-analysis should be a standard tool for developing principles of effective treatment for substance use disorders. Copyright © 2012 Elsevier Inc. All rights reserved.

[A Method for Selecting Self-Adoptive Chromaticity of the Projected Markers].

PubMed

Zhao, Shou-bo; Zhang, Fu-min; Qu, Xing-hua; Zheng, Shi-wei; Chen, Zhe

2015-04-01

The authors designed a self-adaptive projection system which is composed of color camera, projector and PC. In detail, digital micro-mirror device (DMD) as a spatial light modulator for the projector was introduced in the optical path to modulate the illuminant spectrum based on red, green and blue light emitting diodes (LED). However, the color visibility of active markers is affected by the screen which has unknown reflective spectrum as well. Here active markers are projected spot array. And chromaticity feature of markers is sometimes submerged in similar spectral screen. In order to enhance the color visibility of active markers relative to screen, a method for selecting self-adaptive chromaticity of the projected markers in 3D scanning metrology is described. Color camera with 3 channels limits the accuracy of device characterization. For achieving interconversion of device-independent color space and device-dependent color space, high-dimensional linear model of reflective spectrum was built. Prior training samples provide additional constraints to yield high-dimensional linear model with more than three degrees of freedom. Meanwhile, spectral power distribution of ambient light was estimated. Subsequently, markers' chromaticity in CIE color spaces was selected via maximization principle of Euclidean distance. The setting values of RGB were easily estimated via inverse transform. Finally, we implemented a typical experiment to show the performance of the proposed approach. An 24 Munsell Color Checker was used as projective screen. Color difference in the chromaticity coordinates between the active marker and the color patch was utilized to evaluate the color visibility of active markers relative to the screen. The result comparison between self-adaptive projection system and traditional diode-laser light projector was listed and discussed to highlight advantage of our proposed method.

An ultrafast spectroscopic and quantum mechanical investigation of multiple emissions in push-pull pyridinium derivatives bearing different electron donors.

PubMed

Carlotti, B; Benassi, E; Cesaretti, A; Fortuna, C G; Spalletti, A; Barone, V; Elisei, F

2015-08-28

A joint experimental and theoretical approach, involving state-of-the-art femtosecond fluorescence up-conversion measurements and quantum mechanical computations including vibronic effects, was employed to get a deep insight into the excited state dynamics of two cationic dipolar chromophores (Donor-π-Acceptor(+)) where the electron deficient portion is a N-methyl pyridinium and the electron donor a trimethoxyphenyl or a pyrene, respectively. The ultrafast spectroscopic investigation, and the time resolved area normalised emission spectra in particular, revealed a peculiar multiple emissive behaviour and allowed the distinct emitting states to be remarkably distinguished from solvation dynamics, occurring in water in a similar timescale. The two and three emissions experimentally detected for the trimethoxyphenyl and pyrene derivatives, respectively, were associated with specific local emissive minima in the potential energy surface of S1 on the ground of quantum-mechanical calculations. A low polar and planar Locally Excited (LE) state together with a highly polar and Twisted Intramolecular Charge Transfer (TICT) state is identified to be responsible for the dual emission of the trimethoxyphenyl compound. Interestingly, the more complex photobehaviour of the pyrenyl derivative was explained considering the contribution to the fluorescence coming not only from the LE and TICT states but also from a nearly Planar Intramolecular Charge Transfer (PICT) state, with both the TICT and the PICT generated from LE by progressive torsion around the quasi-single bond between the methylpyridinium and the ethene bridge. These findings point to an interconversion between rotamers for the pyrene compound taking place in its excited state against the Non-equilibrated Excited Rotamers (NEER) principle.

Protein structural dynamics at the gas/water interface examined by hydrogen exchange mass spectrometry.

PubMed

Xiao, Yiming; Konermann, Lars

2015-08-01

Gas/water interfaces (such as air bubbles or foam) are detrimental to the stability of proteins, often causing aggregation. This represents a potential problem for industrial processes, for example, the production and handling of protein drugs. Proteins possess surfactant-like properties, resulting in a high affinity for gas/water interfaces. The tendency of previously buried nonpolar residues to maximize contact with the gas phase can cause significant structural distortion. Most earlier studies in this area employed spectroscopic tools that could only provide limited information. Here we use hydrogen/deuterium exchange (HDX) mass spectrometry (MS) for probing the conformational dynamics of the model protein myoglobin (Mb) in the presence of N(2) bubbles. HDX/MS relies on the principle that unfolded and/or highly dynamic regions undergo faster deuteration than tightly folded segments. In bubble-free solution Mb displays EX2 behavior, reflecting the occurrence of short-lived excursions to partially unfolded conformers. A dramatically different behavior is seen in the presence of N(2) bubbles; EX2 dynamics still take place, but in addition the protein shows EX1 behavior. The latter results from interconversion of the native state with conformers that are globally unfolded and long-lived. These unfolded species likely correspond to Mb that is adsorbed to the surface of gas bubbles. N(2) sparging also induces aggregation. To explain the observed behavior we propose a simple model, that is, "semi-unfolded" ↔ "native" ↔ "globally unfolded" → "aggregated". This model quantitatively reproduces the experimentally observed kinetics. To the best of our knowledge, the current study marks the first exploration of surface denaturation phenomena by HDX/MS. © 2015 The Protein Society.

Relevance and limits of the principle of “equivalence of care” in prison medicine

PubMed Central

Niveau, Gérard

2007-01-01

The principle of “equivalence of care” in prison medicine is a principle by which prison health services are obliged to provide prisoners with care of a quality equivalent to that provided for the general public in the same country. It is cited in numerous national and international directives and recommendations. The principle of equivalence is extremely relevant from the point of view of normative ethics but requires adaptation from the point of view of applied ethics. From a clinical point of view, the principle of equivalence is often insufficient to take account of the adaptations necessary for the organization of care in a correctional setting. The principle of equivalence is cost‐effective in general, but has to be overstepped to ensure the humane management of certain special cases. PMID:17906061

And now, from the company that brought you the seven-eyed trout: Risk communication in action

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

Durbin, M.E.; Klein, S.H.; Molony, S.T.

1992-01-01

Risk communication is a growing specialty field in communication that draws from well-established principles of sociology and psychology. It is a way to communicate with potentially hostile audiences about sensitive environmental, safety, and health issues they face. This paper explains the most important principles of risk communication and discusses audience analyses, perceptions of risk (outrage factors), and risk comparisons. These principles are applied to a risk communication issue in a fictitious community.

Launch vehicle systems design analysis

NASA Technical Reports Server (NTRS)

Ryan, Robert; Verderaime, V.

1993-01-01

Current launch vehicle design emphasis is on low life-cycle cost. This paper applies total quality management (TQM) principles to a conventional systems design analysis process to provide low-cost, high-reliability designs. Suggested TQM techniques include Steward's systems information flow matrix method, quality leverage principle, quality through robustness and function deployment, Pareto's principle, Pugh's selection and enhancement criteria, and other design process procedures. TQM quality performance at least-cost can be realized through competent concurrent engineering teams and brilliance of their technical leadership.

Finite-temperature Gutzwiller approximation from the time-dependent variational principle

NASA Astrophysics Data System (ADS)

Lanatà, Nicola; Deng, Xiaoyu; Kotliar, Gabriel

2015-08-01

We develop an extension of the Gutzwiller approximation to finite temperatures based on the Dirac-Frenkel variational principle. Our method does not rely on any entropy inequality, and is substantially more accurate than the approaches proposed in previous works. We apply our theory to the single-band Hubbard model at different fillings, and show that our results compare quantitatively well with dynamical mean field theory in the metallic phase. We discuss potential applications of our technique within the framework of first-principle calculations.

Cutting Off the Head of the Snake: Applying and Assessing Leadership Attack in Military Conflict

DTIC Science & Technology

2013-04-26

war that will help 13 17 Baron Antoine Henri de Jomini makes this argument when he describes what he calls the Fundamental Principle of War: “On the... of Napoleonic Warfare, Clausewitz had but a vague understanding of it. Nevertheless, because of Napoleon’s offensive principle , he foisted on to... of the Enemy is the Aim,” Clausewitz opens the chapter by weaving the idea of Schwerpunkt into his two fundamental principles of war: The first is

Using Participatory Action Research to Develop a Working Model That Enhances Psychiatric Nurses' Professionalism: The Architecture of Stability.

PubMed

Salzmann-Erikson, Martin

2017-11-01

Ward rules in psychiatric care aim to promote safety for both patients and staff. Simultaneously, ward rules are associated with increased patient violence, leading to neither a safe work environment nor a safe caring environment. Although ward rules are routinely used, few studies have explicitly accounted for their impact. To describe the process of a team development project considering ward rule issues, and to develop a working model to empower staff in their daily in-patient psychiatric nursing practices. The design of this study is explorative and descriptive. Participatory action research methodology was applied to understand ward rules. Data consists of audio-recorded group discussions, observations and field notes, together creating a data set of 556 text pages. More than 100 specific ward rules were identified. In this process, the word rules was relinquished in favor of adopting the term principles, since rules are inconsistent with a caring ideology. A linguistic transition led to the development of a framework embracing the (1) Principle of Safety, (2) Principle of Structure and (3) Principle of Interplay. The principles were linked to normative guidelines and applied ethical theories: deontology, consequentialism and ethics of care. The work model reminded staff about the principles, empowered their professional decision-making, decreased collegial conflicts because of increased acceptance for individual decisions, and, in general, improved well-being at work. Furthermore, the work model also empowered staff to find support for their decisions based on principles that are grounded in the ethics of totality.

Managing a Small Cat House, or, Applications of Feminist Social Psychology to Academic Administration in Small Colleges

ERIC Educational Resources Information Center

Madden, Margaret E.

This paper discusses management strategies based on feminist social psychological principles, applies them to the administration of small colleges, and suggests their effectiveness for dealing with intelligent and independent faculty members. The principles cited are: (1) individuals are located in a sociological context that creates differences…

12 CFR 360.6 - Treatment by the Federal Deposit Insurance Corporation as conservator or receiver of financial...

Code of Federal Regulations, 2010 CFR

2010-01-01

... accepted accounting principles, other than the “legal isolation” condition as it applies to institutions... the conditions for sale accounting treatment set forth by generally accepted accounting principles in... Corporation as conservator or receiver of financial assets transferred in connection with a securitization or...

A Rationality Standard for the First Amendment.

ERIC Educational Resources Information Center

Rohrer, Daniel M.

This discussion summarizes the general principles that may be applied in determining the limits of free expression and proposes new criteria based on libertarian values. Among the general principles summarized are the bad-tendency test, the clear-and-present-danger test, the balancing test, the incitement test, and the hypothetical absolute test.…

Applying Minimal Manual Principles for Documentation of Graphical User Interfaces.

ERIC Educational Resources Information Center

Nowaczyk, Ronald H.; James, E. Christopher

1993-01-01

Investigates the need to include computer screens in documentation for software using a graphical user interface. Describes the uses and purposes of "minimal manuals" and their principles. Studies student reaction to their use of one of three on-screen manuals: screens, icon, and button. Finds some benefit for including icon and button…

Applying Agile Principles in Teaching Undergraduate Information Technology Project Management

ERIC Educational Resources Information Center

Budu, Joseph

2018-01-01

This article describes how the traditional teaching and learning activities over the years have been challenged to be agile--easily adaptable to changing classroom conditions. Despite this new phenomenon, there is a perceived paucity of agile-in-teaching research. Available studies neither focus on the use of agile principles beyond delivering…

Applying Universal Design for Learning in Online Courses: Pedagogical and Practical Considerations

ERIC Educational Resources Information Center

Dell, Cindy Ann; Dell, Thomas F.; Blackwell, Terry L.

2015-01-01

Inclusion of the universal design for learning (UDL) model as a guiding set of principles for online curriculum development in higher education is discussed. Fundamentally, UDL provides the student with multiple means of accessing the course based on three overarching principles: presentation; action and expression; and engagement and interaction.…

Visual Design Principles Applied To World Wide Web Construction.

ERIC Educational Resources Information Center

Luck, Donald D.; Hunter, J. Mark

This paper describes basic types of World Wide Web pages and presents design criteria for page layout based on principles of visual literacy. Discussion focuses on pages that present information in the following styles: billboard; directory/index; textual; and graphics. Problems and solutions in Web page construction are explored according to…

Social Class and Self-Esteem among Children and Adults

ERIC Educational Resources Information Center

Rosenberg, Morris; Pearlin, Leonard I.

1978-01-01

An analysis of two studies examining the relationship of social class to self-esteem. Two groups were involved, children ages eight to 18 and adults 18 to 65. Four principles of self-esteem development were advanced to account for the results. The principles were said to apply equally to adults and children. (BC)

A century of genetics

Treesearch

Daniel J. Fairbanks

2001-01-01

In 1866, Gregor Mendel published his experiments on heredity in the garden pea (Pisum sativum). The fundamental principles of inheritance derived from his work apply to nearly all eukaryotic species and are now known as Mendelian principles. Since 1900, Mendel has been recognized as the founder of genetics. In 1900, three botanists, Carl Correns, Hugo De Vries, and...

2 CFR Appendix B to Part 230 - Selected Items of Cost

Code of Federal Regulations, 2010 CFR

2010-01-01

... PRINCIPLES FOR NON-PROFIT ORGANIZATIONS (OMB CIRCULAR A-122) Pt. 230, App. B Appendix B to Part 230—Selected... use of patents and copyrights 45. Selling and marketing 46. Specialized service facilities 47. Taxes... of this appendix provide principles to be applied in establishing the allowability of certain items...

78 FR 13781 - Filings Required of Multiple Employer Welfare Arrangements and Certain Other Related Entities

Federal Register 2010, 2011, 2012, 2013, 2014

2013-03-01

... principles similar to the principles applied in determining whether employees of two or more trades or... marketing or sale of a MEWA. Section 6605 enables the Secretary to issue administrative cease and desist... but not limited to marketing, soliciting, providing, or offering to provide benefits consisting of...

General Semantics in the Labor Room.

ERIC Educational Resources Information Center

Keller, Jo

This paper provides a review of some basic general semantic principles and then applies them to the area of prenatal classes and labor room practices. It first presents an overview of the principle that language is not a neutral factor in human perceptions but an active, reactive force. Next, it looks at the relationship between language and…

Artificial Instruction. A Method for Relating Learning Theory to Instructional Design.

ERIC Educational Resources Information Center

Ohlsson, Stellan

Prior research on learning has been linked to instruction by the derivation of general principles of instructional design from learning theories. However, such design principles are often difficult to apply to particular instructional issues. A new method for relating research on learning to instructional design is proposed: Different ways of…

Principles of Technology. Units 1-10 Pilot Test Findings.

ERIC Educational Resources Information Center

Center for Occupational Research and Development, Inc., Waco, TX.

This document provides the findings of pilot tests of 10 units for an applied science course for high school vocational students. Each of the reports on the pilot tests of the Principles of Technology units contains information on procedures, methodology limitations, sample, the pretest/posttest instrument and results, student attitude results,…

78 FR 48914 - Agency Information Collection Activities: Submission to OMB for Reinstatement, Without Change, of...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-12

... submit the following information collection to the Office of Management and Budget (OMB) for review and... performing certain audits, the auditing principles which apply to certain audits, and the accounting principles which must be followed in reports filed with the NCUA Board. DATES: Comments will be accepted...

78 FR 59380 - Agency Information Collection Activities: Submission to OMB for Reinstatement, Without Change, of...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-09-26

... submit the following information collection to the Office of Management and Budget (OMB) for review and... required of persons performing certain audits, the auditing principles which apply to certain audits, and the accounting principles which must be followed. DATES: Comments will be accepted until October 28...

Framework for Asynchronous Discussion Design Decisions: Applied Principles from Special Issue Authors

ERIC Educational Resources Information Center

Grabowski, Barbara L.

2011-01-01

After a discussion of the state of both misaligned and informative online and distance education research, the authors in this special issue (hereafter called the collective) extract evidence-based principles about strategies that work. Both are addressed in this article. First, their criticisms centered on the value of comparative research. Those…

Self-Determination for Children and Young Adults Who Are Deaf-Blind. NTAC Briefing Paper.

ERIC Educational Resources Information Center

Morgan, Susanne; Bixler, Elizabeth; McNamara, Jamie

This paper explores how principles of self-determination apply to individuals who are deaf-blind and how it affects families, educational programming, and service delivery. Five underlying principles are identified including: all persons desire self-determination and are capable of achieving it; self-determination is a continuum; and…

Teacher Unions and TQE: Building Quality Labor Relations.

ERIC Educational Resources Information Center

Streshly, William A.; DeMitchell, Todd A.

This book is designed to provide school administrators and labor leaders with ideas about how to improve school district labor relations by incorporating the principles of Total Quality Management (TQM). In schools that apply the principles of Total Quality Education (TQE)--that is TQM as it modified to school practice--labor and management can…

The Promises of History: Pedagogic Principles and Processes of Change

ERIC Educational Resources Information Center

Nicholson, Helen

2010-01-01

This paper offers a brief reading of the history of theatre education and applied theatre as a way to reflect on the principles and values that have informed their development. It argues that a critical genealogy of this history suggests that theatrical experiments in educational and community settings have always responded creatively and…

The Essential Parent Workshop Resource. The Teacher's Idea Book 4.

ERIC Educational Resources Information Center

Graves, Michelle

Fourth in a series designed to provide early childhood educators with ideas and strategies for applying High/Scope principles, this idea book focuses on working with the parents of young children and presents 30 one-hour parent workshops in five areas. The book's introduction presents guiding principles for working with adult learners, discusses…

The Role of Recreation in Facilitating Gender Integration in the Navy

DTIC Science & Technology

1998-03-01

Marketing begins and ends with participants (Henderson, 1995). The principles of marketing are the same for women as for men, but the application may be...analyzing how women might be further involved in military recreation programs. The principles of marketing that should be applied are the same as for

Career Education and the Marshmallow Principle.

ERIC Educational Resources Information Center

Hoyt, Kenneth B.

The "Marshmallow Principle" introduced in this paper is stated as follows: "External pressure exerted on an organization to change its basic structure will, for as long as that pressure is applied, cause the organization's structure to bend and assume a new shape. Once the pressure is removed, the organization will reassume its original shape.…

32 CFR 37.625 - What cost principles or standards do I require for for-profit participants?

Code of Federal Regulations, 2011 CFR

2011-07-01

... any firm to needlessly change its cost-accounting system, your expenditure-based TIAs are to apply the... existing systems for identifying allowable costs under those principles. If there are programmatic or... Financial Accounting Standards Number 2, “Accounting for Research and Development Costs,” October 1974 1...

Beyond Universal Design for Learning: Guiding Principles to Reduce Barriers to Digital & Media Literacy Competence

ERIC Educational Resources Information Center

Dalton, Elizabeth M.

2017-01-01

Universal Design for Learning (UDL), a framework for designing instruction to address the wide range of learner variation in today's inclusive classrooms, can be applied effectively to broaden access, understanding, and engagement in digital and media literacy learning for ALL. UDL supports constructivist learning principles. UDL strategies and…

The Invention of Board Games by a Group of Teenagers from a Special School.

ERIC Educational Resources Information Center

Wozny, Cecilia

1985-01-01

Outlines the theoretical developmental principles on which the use of educational games is based and describes a school/college link program that applied these principles to a project designed to increase the confidence of adolescents attending a special school; student groups were encouraged to develop their own games. (MBR)

78 FR 5816 - Guidance for Industry on Clinical Pharmacogenomics: Premarket Evaluation in Early-Phase Clinical...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-01-28

.... The guidance provides recommendations on when and how genomic principles should be considered and... recommendations on when and how genomic principles should be considered and applied in early-phase clinical... the larger, later adequate, and well-controlled trials (phase 3) that are needed to support marketing...

Using Mental Map Principles to Interpret American Indian Cartography

ERIC Educational Resources Information Center

Mitchell, Martin D.

2014-01-01

The understanding of maps drawn or significantly influenced by American Indians fosters critical thinking, cultural diversity, and awareness of a much-neglected topic in cartography. Line styles, scale depiction, and the sizing of individual entities are discussed in the context of applying principles from mental maps to American Indian maps and…

Translational Behavior Analysis: From Laboratory Science in Stimulus Control to Intervention with Persons with Neurodevelopmental Disabilities

ERIC Educational Resources Information Center

McIlvane, William J.

2009-01-01

Throughout its history, laboratory research in the experimental analysis of behavior has been successful in elucidating and clarifying basic learning principles and processes in both humans and nonhumans. In parallel, applied behavior analysis has shown how fundamental behavior-analytic principles and procedures can be employed to promote…

The method of 'principlism': a critique of the critique.

PubMed

Lustig, B A

1992-10-01

Several scholars have recently criticized the dominant emphasis upon mid-level principles in bioethics best exemplified by Beauchamp and Childress's Principles of Biomedical Ethics. In Part I of this essay, I assess the fairness and cogency of three broad criticisms raised against 'principlism' as an approach: (1) that principlism, as an exercise in applied ethics, is insufficiently attentive to the dialectical relations between ethical theory and mortal practice; (2) that principlism fails to offer a systematic account of the principles of non-maleficence, beneficence, respect for autonomy, and justice; and (3) that principlism, as a version of moral pluralism, is fatally flawed by its theoretical agnosticism. While acknowledging that Beauchamp and Childress's reliance upon Ross's version of intuitionism is problematic, I conclude that the critics of principlism have failed to make a compelling case against its theoretical or practical adequacy as an ethical approach. In Part II, I assess the moral theory developed by Bernard Gert in Mortality: A New Justification of the Moral Rules, because Gert has recommended his approach as a systematic alternative to principlism. I judge Gert's theory to be seriously incomplete and, in contrast to principlism, unable to generate coherent conclusions about cases of active euthanasia and paternalism.

Research ethics in the context of humanitarian emergencies.

PubMed

O'Mathúna, Dónal

2015-02-01

Research is needed to make responses to disasters and humanitarian emergencies more evidence-based. Such research must also adhere to the generally accepted principles of research ethics. While research into health interventions used in disasters raises distinctive ethical concerns, seven ethical principles developed for clinical research are applied here to disaster research. Practical examples from disaster settings are used to demonstrate how these ethical principles can be applied. This reveals that research ethics needs to be seen as much more than a mechanism to obtain ethical approval for research. Research ethics involves ethical principles and governance frameworks, but must also consider the role of ethical virtues in research. Virtues are essential to ensure that researchers do what they believe is ethically right and resist what is unethical. Research ethics that truly protects participants and promotes respect needs to include training in ethical virtues to ensure disaster research is carried out to the highest ethical standards. This article is based on a presentation at the Evidence Aid Symposium on 20 September 2014, in Hyderabad, India. © 2015 Chinese Cochrane Center, West China Hospital of Sichuan University and Wiley Publishing Asia Pty Ltd.

Optimality Principles in the Regulation of Metabolic Networks

PubMed Central

Berkhout, Jan; Bruggeman, Frank J.; Teusink, Bas

2012-01-01

One of the challenging tasks in systems biology is to understand how molecular networks give rise to emergent functionality and whether universal design principles apply to molecular networks. To achieve this, the biophysical, evolutionary and physiological constraints that act on those networks need to be identified in addition to the characterisation of the molecular components and interactions. Then, the cellular “task” of the network—its function—should be identified. A network contributes to organismal fitness through its function. The premise is that the same functions are often implemented in different organisms by the same type of network; hence, the concept of design principles. In biology, due to the strong forces of selective pressure and natural selection, network functions can often be understood as the outcome of fitness optimisation. The hypothesis of fitness optimisation to understand the design of a network has proven to be a powerful strategy. Here, we outline the use of several optimisation principles applied to biological networks, with an emphasis on metabolic regulatory networks. We discuss the different objective functions and constraints that are considered and the kind of understanding that they provide. PMID:24957646

Optimality principles in the regulation of metabolic networks.

PubMed

Berkhout, Jan; Bruggeman, Frank J; Teusink, Bas

2012-08-29

One of the challenging tasks in systems biology is to understand how molecular networks give rise to emergent functionality and whether universal design principles apply to molecular networks. To achieve this, the biophysical, evolutionary and physiological constraints that act on those networks need to be identified in addition to the characterisation of the molecular components and interactions. Then, the cellular "task" of the network-its function-should be identified. A network contributes to organismal fitness through its function. The premise is that the same functions are often implemented in different organisms by the same type of network; hence, the concept of design principles. In biology, due to the strong forces of selective pressure and natural selection, network functions can often be understood as the outcome of fitness optimisation. The hypothesis of fitness optimisation to understand the design of a network has proven to be a powerful strategy. Here, we outline the use of several optimisation principles applied to biological networks, with an emphasis on metabolic regulatory networks. We discuss the different objective functions and constraints that are considered and the kind of understanding that they provide.

Psychotherapy for neurologists.

PubMed

Hobday, Gabrielle S; Gabbard, Glen O

2009-07-01

Psychotherapy has traditionally been regarded as the purview of psychiatry rather than neurology. Yet, the doctor-patient relationship is fundamental to both specialties, and the principles that derive from psychotherapy theory and practice apply to that relationship regardless of the specialty. It is common knowledge that a large proportion of patients seen in the context of the practice of medicine have some kind of emotional disturbance. Moreover, patients with organic disease may also have significant emotional difficulties that complicate both the primary illness and its treatment. This experience inevitably has drawn attention to the need for the nonpsychiatric physician to have an understanding and proficiency in psychiatric diagnosis and psychotherapeutic principles. In this article, we consider basic psychotherapeutic principles that are useful in the everyday practice of neurologists and other nonpsychiatric physicians. These skills are important not only for practical reasons, but also because responsiveness to their emotional distress is essential to maintain empathy and caring as cornerstones of the art of medicine. With the use of clinical examples to illustrate these principles, we hope that readers can apply them to their own clinical experiences.

Basic principles of Hasse diagram technique in chemistry.

PubMed

Brüggemann, Rainer; Voigt, Kristina

2008-11-01

Principles of partial order applied to ranking are explained. The Hasse diagram technique (HDT) is the application of partial order theory based on a data matrix. In this paper, HDT is introduced in a stepwise procedure, and some elementary theorems are exemplified. The focus is to show how the multivariate character of a data matrix is realized by HDT and in which cases one should apply other mathematical or statistical methods. Many simple examples illustrate the basic theoretical ideas. Finally, it is shown that HDT is a useful alternative for the evaluation of antifouling agents, which was originally performed by amoeba diagrams.

Improving patient safety using the sterile cockpit principle during medication administration: a collaborative, unit-based project.

PubMed

Fore, Amanda M; Sculli, Gary L; Albee, Doreen; Neily, Julia

2013-01-01

  To implement the sterile cockpit principle to decrease interruptions and distractions during high volume medication administration and reduce the number of medication errors.   While some studies have described the importance of reducing interruptions as a tactic to reduce medication errors, work is needed to assess the impact on patient outcomes.   Data regarding the type and frequency of distractions were collected during the first 11 weeks of implementation. Medication error rates were tracked 1 year before and after 1 year implementation.   Simple regression analysis showed a decrease in the mean number of distractions, (β = -0.193, P = 0.02) over time. The medication error rate decreased by 42.78% (P = 0.04) after implementation of the sterile cockpit principle.   The use of crew resource management techniques, including the sterile cockpit principle, applied to medication administration has a significant impact on patient safety.   Applying the sterile cockpit principle to inpatient medical units is a feasible approach to reduce the number of distractions during the administration of medication, thus, reducing the likelihood of medication error. 'Do Not Disturb' signs and vests are inexpensive, simple interventions that can be used as reminders to decrease distractions. © 2012 Blackwell Publishing Ltd.

Applicability of the independence principle to subsonic turbulent flow over a swept rearward-facing step

NASA Technical Reports Server (NTRS)

Selby, G. V.

1983-01-01

Prandtl (1946) has concluded that for yawed laminar incompressible flows the streamwise flow is independent of the spanwise flow. However, Ashkenas and Riddell (1955) have reported that for turbulent flow the 'independence principle' does not apply to yawed flat plates. On the other hand, it was also found that this principle may be applicable to many turbulent flows. As the sweep angle is increased, a sweep angle is reached which defines the interval over which the 'independence principle' is valid. The results obtained in the present investigation indicate the magnitude of the critical angle for subsonic turbulent flow over a swept rearward-facing step.

Adopting an ecological view of metropolitan landscape: the case of "three circles" system for ecological construction and restoration in Beijing area.

PubMed

Zhang, Feng; Zhang, Xin-shi

2004-01-01

Ecological construction and restoration for sustainable development are now a driving paradigm. It is increasingly recognized that ecological principles, especially landscape ecology theory, are not only necessary but also essential to maintain the long-term sustainability worldwide. Key landscape ecology principles-element, structure and process, dynamics, heterogeneity, hierarchies, connectivity, place and time were reviewed, and use Beijing area as a case study to illustrate how these principles might be applied to ecological construction and restoration, to eventually achieve sustainability. An example to more effectively incorporate the ecological principles in sustainable planning in China was presented.

Nursing application of Bobath principles in stroke care.

PubMed

Passarella, P M; Lewis, N

1987-04-01

The nursing approach in the care of stroke patients has a direct impact on functional outcome. Nursing application of Bobath principles in stroke care offers a nursing focus on involvement of the affected side; facilitation of normal tone, posture, and movement; and development of more normal function. A research study evaluating the functional gains of stroke patients demonstrated a significant level of functional improvement in those treated with Bobath principles over stroke patients treated with the traditional nursing approach. Practical methods for applying Bobath principles in patient care activities are described. These therapeutic methods provide nurses with the means to maximize stroke patients' potential and further influence their functional recovery.

The principle of proportionality revisited: interpretations and applications.

PubMed

Hermerén, Göran

2012-11-01

The principle of proportionality is used in many different contexts. Some of these uses and contexts are first briefly indicated. This paper focusses on the use of this principle as a moral principle. I argue that under certain conditions the principle of proportionality is helpful as a guide in decision-making. But it needs to be clarified and to be used with some flexibility as a context-dependent principle. Several interpretations of the principle are distinguished, using three conditions as a starting point: importance of objective, relevance of means, and most favourable option. The principle is then tested against an example, which suggests that a fourth condition, focusing on non-excessiveness, needs to be added. I will distinguish between three main interpretations of the principle, some primarily with uses in research ethics, others with uses in other areas of bioethics, for instance in comparisons of therapeutic means and ends. The relations between the principle of proportionality and the precautionary principle are explored in the following section. It is concluded that the principles are different and may even clash. In the next section the principle of proportionality is applied to some medical examples drawn from research ethics and bioethics. In concluding, the status of the principle of proportionality as a moral principle is discussed. What has been achieved so far and what remains to be done is finally summarized.

Structural characterization of a hydroperoxo nickel complex and its autoxidation: mechanism of interconversion between peroxo, superoxo, and hydroperoxo species.

PubMed

Rettenmeier, Christoph A; Wadepohl, Hubert; Gade, Lutz H

2015-04-13

Pincer-stabilized nickel(I) complexes readily react with molecular oxygen to form dinuclear 1,2-μ-peroxo-bridged nickel(II) complexes, which are the major components of a dynamic equilibrium with the corresponding mononuclear superoxo species. The peroxo complexes further react with hydrogen peroxide to give the corresponding nickel(II) hydroperoxides. One of these hitherto elusive species was characterized by X-ray diffraction for the first time [O-O bond length: 1.492(2) Å]. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A study of [Co2(alkyne)(binap)(CO)4] complexes (BINAP=(1,1'-binaphthalene)-2,2'-diylbis(diphenylphosphine)).

PubMed

Gibson, Susan E; Kaufmann, Karina A C; Loch, Jennifer A; Steed, Jonathan W; White, Andrew J P

2005-04-08

Understanding the interaction of chiral ligands, alkynes, and alkenes with cobaltcarbonyl sources is critical to learning more about the mechanism of the catalytic, asymmetric Pauson-Khand reaction. We have successfully characterized complexes of the type [Co2(alkyne)(binap)(CO)4] (BINAP=(1,1'-binaphthalene)-2,2'-diylbis(diphenylphosphine)) and shown that diastereomer interconversion occurs under Pauson-Khand reaction conditions when alkyne=HC[triple bond]CCO2Me. Attempts to isolate [Co2(alkyne)(binap)(CO)x] complexes with coordinated alkenes led to the formation of cobaltacyclopentadiene species.

Gamma irradiation of isocitric and citric acid in aqueous solution: Relevance in prebiotic chemistry

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

Negrón-Mendoza, A., E-mail: negron@nucleares.unam.mx; Ramos-Bernal, S.

The radiation chemistry of hydroxy acids like citric and isocitric acids is rather scarce, even though they are crucial compounds in biological systems and for food irradiation. The aim of this work is to study the radiolytic behavior of these acids focused on the interconversion induced by radiation of citric and isocitric acid into other members of the Krebs cycle. The results showed that among the products formed were succinic, malonic, malic and other acids related to metabolic pathways, and these results are correlated with its possible role in chemical evolution processes.

Sesterterpenes from a common marine sponge, Hyrtios erecta.

PubMed

Crews, P; Bescansa, P

1986-01-01

Eleven sesterterpenes have been characterized from the biotoxic extracts of Hyrtios erecta. Their structures and stereochemistry were established by spectral properties or results from chemical interconversions. Especially valuable for establishing stereochemical features were 13C-nmr methyl shift correlations and analysis of 1H-nmr couplings and chemical shifts. The new scalarane sesterterpenes included 2, 3, 7, 9, and 10a (but 9 and 10a might be artifacts), and they were accompanied by five previously described scalaranes, 1, 4, 5a, 6, and 8, along with hyrtial (11), a novel norsesterterpene. Many of these sesterterpenes exhibited interesting biological activity.

Intramolecular interactions in the polar headgroup of sphingosine: serinol† †Electronic supplementary information (ESI) available: Ab initio parameters for serinol conformers within 1000 cm–1, measured transition frequencies, typical a-type transition for conformer aa1, interconversion barriers and possible tunnelling pathways. See DOI: 10.1039/c5cc09423b Click here for additional data file.

PubMed Central

Loru, Donatella; Peña, Isabel; Alonso, José L.

2016-01-01

The intramolecular interactions in the lipid sphingosine have been elucidated through the investigation of the amino alcohol serinol which mimics its polar headgroup. Intricate networks of intramolecular hydrogen bonds involving the hydroxyl groups and the amino group contribute to the stabilisation of five different conformations observed in the broadband rotational spectrum. PMID:26727395

Chiral diamines. 1. Relative energies of (-)-sparteine conformers, interconversion barriers, and alkyllithium complexes

NASA Astrophysics Data System (ADS)

Wiberg, K. B.; Bailey, W. F.

2000-12-01

The structures of the four lower energy sparteine complexes were examined at several theoretical levels including B3P86/6-31G∗ and B3P86/6-311+G∗. The transition states for interconverting two pairs of conformers were determined using the synchronous transit-guided quasi-Newton procedure. Complexes with lithium hydride and propyllithium also were examined. The bidentate complexes formed from conformer 1b and propyllithium had two conformations with essentially the same energy. This may account for the low enantioselectivity observed in the reaction of alkyllithium-sparteine complexes with carbonyl compounds.

Photolytic interruptions of the bacteriorhodopsin photocycle examined by time-resolved resonance raman spectroscopy.

PubMed

Grieger, I; Atkinson, G H

1985-09-24

An investigation of the photolytic conditions used to initiate and spectroscopically monitor the bacteriorhodopsin (BR) photocycle utilizing time-resolved resonance Raman (TR3) spectroscopy has revealed and characterized two photoinduced reactions that interrupt the thermal pathway. One reaction involves the photolytic interconversion of M-412 and M', and the other involves the direct photolytic conversion of the BR-570/K-590 photostationary mixture either to M-412 and M' or to M-like intermediates within 10 ns. The photolytic threshold conditions describing both reactions have been quantitatively measured and are discussed in terms of experimental parameters.

Electrochemical methods for generation of a biological proton motive force

DOEpatents

Zeikus, Joseph Gregory [Okemos, MI; Shin, Hyoun S [Lansing, MI; Jain, Mahendra K [Lexington, KY

2008-12-02

Disclosed are methods using neutral red to mediate the interconversion of chemical and electrical energy. Electrically reduced neutral red has been found to promote cell growth and formation of reduced products by reversibly increasing the ratio of the reduced:oxidized forms of NAD(H) or NADP(H). Electrically reduced neutral red is able to serve as the sole source of reducing power for microbial cell growth. Neutral red is also able to promote conversion of chemical energy to electrical energy by facilitating the transfer of electrons from microbial reducing power to a fuel cell cathode.

Electrochemical methods for generation of a biological proton motive force and pyridine nucleotide cofactor regeneration

DOEpatents

Zeikus, Gregory J.; Shin, Hyoun S.; Jain, Mahendra K.

2002-01-01

Disclosed are methods using neutral red to mediate the interconversion of chemical and electrical energy. Electrically reduced neutral red has been found to promote cell growth and formation of reduced products by reversibly increasing the ratio of the reduced:oxidized forms of NAD(H) or NADP(H). Electrically reduced neutral red is able to serve as the sole source of reducing power for microbial, cell growth. Neutral red is also able to promote conversion of chemical energy to electrical energy by facilitating the transfer of electrons from microbial reducing power to a fuel cell cathode.

Electrochemical methods for generation of a biological proton motive force and pyridine nucleotide cofactor regeneration

DOEpatents

Zeikus, Joseph G.; Park, Doo

2001-01-01

Disclosed are methods using neutral red to mediate the interconversion of chemical and electrical energy. Electrically reduced neutral red has been found to promote cell growth and formation of reduced products by reversibly increasing the ratio of the reduced:oxidized forms of NAD(H) or NADP(H). Electrically reduced neutral red is able to serve as the sole source of reducing power for microbial cell growth. Neutral red is also able to promote conversion of chemical energy to electrical energy by facilitating the transfer of electrons from microbial reducing power to a fuel cell cathode.

Shikimic Acid Production in Escherichia coli: From Classical Metabolic Engineering Strategies to Omics Applied to Improve Its Production.

PubMed

Martínez, Juan Andrés; Bolívar, Francisco; Escalante, Adelfo

2015-01-01

Shikimic acid (SA) is an intermediate of the SA pathway that is present in bacteria and plants. SA has gained great interest because it is a precursor in the synthesis of the drug oseltamivir phosphate (OSF), an efficient inhibitor of the neuraminidase enzyme of diverse seasonal influenza viruses, the avian influenza virus H5N1, and the human influenza virus H1N1. For the purposes of OSF production, SA is extracted from the pods of Chinese star anise plants (Illicium spp.), yielding up to 17% of SA (dry basis content). The high demand for OSF necessary to manage a major influenza outbreak is not adequately met by industrial production using SA from plants sources. As the SA pathway is present in the model bacteria Escherichia coli, several "intuitive" metabolically engineered strains have been applied for its successful overproduction by biotechnological processes, resulting in strains producing up to 71 g/L of SA, with high conversion yields of up to 0.42 (mol SA/mol Glc), in both batch and fed-batch cultures using complex fermentation broths, including glucose as a carbon source and yeast extract. Global transcriptomic analyses have been performed in SA-producing strains, resulting in the identification of possible key target genes for the design of a rational strain improvement strategy. Because possible target genes are involved in the transport, catabolism, and interconversion of different carbon sources and metabolic intermediates outside the central carbon metabolism and SA pathways, as genes involved in diverse cellular stress responses, the development of rational cellular strain improvement strategies based on omics data constitutes a challenging task to improve SA production in currently overproducing engineered strains. In this review, we discuss the main metabolic engineering strategies that have been applied for the development of efficient SA-producing strains, as the perspective of omics analysis has focused on further strain improvement for the production of this valuable aromatic intermediate.

Shikimic Acid Production in Escherichia coli: From Classical Metabolic Engineering Strategies to Omics Applied to Improve Its Production

PubMed Central

Martínez, Juan Andrés; Bolívar, Francisco; Escalante, Adelfo

2015-01-01

Shikimic acid (SA) is an intermediate of the SA pathway that is present in bacteria and plants. SA has gained great interest because it is a precursor in the synthesis of the drug oseltamivir phosphate (OSF), an efficient inhibitor of the neuraminidase enzyme of diverse seasonal influenza viruses, the avian influenza virus H5N1, and the human influenza virus H1N1. For the purposes of OSF production, SA is extracted from the pods of Chinese star anise plants (Illicium spp.), yielding up to 17% of SA (dry basis content). The high demand for OSF necessary to manage a major influenza outbreak is not adequately met by industrial production using SA from plants sources. As the SA pathway is present in the model bacteria Escherichia coli, several “intuitive” metabolically engineered strains have been applied for its successful overproduction by biotechnological processes, resulting in strains producing up to 71 g/L of SA, with high conversion yields of up to 0.42 (mol SA/mol Glc), in both batch and fed-batch cultures using complex fermentation broths, including glucose as a carbon source and yeast extract. Global transcriptomic analyses have been performed in SA-producing strains, resulting in the identification of possible key target genes for the design of a rational strain improvement strategy. Because possible target genes are involved in the transport, catabolism, and interconversion of different carbon sources and metabolic intermediates outside the central carbon metabolism and SA pathways, as genes involved in diverse cellular stress responses, the development of rational cellular strain improvement strategies based on omics data constitutes a challenging task to improve SA production in currently overproducing engineered strains. In this review, we discuss the main metabolic engineering strategies that have been applied for the development of efficient SA-producing strains, as the perspective of omics analysis has focused on further strain improvement for the production of this valuable aromatic intermediate. PMID:26442259

Hands-On Teaching through a Student Field Project in Applied Geophysics.

ERIC Educational Resources Information Center

Klasner, John Samuel; Crockett, Jeffrey Jon; Horton, Kimberly Beth; Poe, Michele Daun; Wollert, Matthew Todd

1992-01-01

Describes the Proffit Mountain project, part of a senior-level class in applied geophysics that provides students with hands-on experience in applying principles and techniques learned in class. Students conduct magnetic, gravity, and radiometric studies over a diabase body which intrudes rhyolite at Proffitt Mountain in southeast Missouri.…

The Politics of Intention: Looking for a Theatre of Little Changes

ERIC Educational Resources Information Center

Balfour, Michael

2009-01-01

The paper provides a review of some of the terminologies and definitions of applied theatre, critiques the "transformative principle" argued for by some applied researchers, and extends this to a discussion on the complex relationship between donor agendas and the politics of intention that contribute to the shaping of applied discourse…

Segmenting the Adult Education Market.

ERIC Educational Resources Information Center

Aurand, Tim

1994-01-01

Describes market segmentation and how the principles of segmentation can be applied to the adult education market. Indicates that applying segmentation techniques to adult education programs results in programs that are educationally and financially satisfying and serve an appropriate population. (JOW)

Applying Humanistic Learning Theory: The "Art" of Coaching

ERIC Educational Resources Information Center

Connolly, Graeme J.

2016-01-01

The purpose of this article is to apply specific principles of psychology to the coaching process. More specifically, it is about becoming a productive and effective coach, who positively affects the athletic careers and lives of young people.

The quantum universe: philosophical foundations and oriental medicine.

PubMed

Kafatos, Menas C; Yang, Keun-Hang

2016-12-01

The existence of universal principles in both science and medicine implies that one can explore their common applicability. Here we explore what we have learned from quantum mechanics, phenomena such as entanglement and nonlocality, the role of participation of the observer, and how these may apply to oriental medicine. The universal principles of integrated polarity, recursion, and creative interactivity apply to all levels of existence and all human activities, including healing and medicine. This review examines the possibility that what we have learned from quantum mechanics may provide clues to better understand the operational principles of oriental medicine in an integrated way. Common to both is the assertion that Consciousness is at the foundation of the universe and the inner core of all human beings. This view goes beyond both science and medicine and has strong philosophical foundations in Western philosophy as well as monistic systems of the East.

Ancient Chinese medical ethics and the four principles of biomedical ethics.

PubMed Central

Tsai, D F

1999-01-01

The four principles approach to biomedical ethics (4PBE) has, since the 1970s, been increasingly developed as a universal bioethics method. Despite its wide acceptance and popularity, the 4PBE has received many challenges to its cross-cultural plausibility. This paper first specifies the principles and characteristics of ancient Chinese medical ethics (ACME), then makes a comparison between ACME and the 4PBE with a view to testing out the 4PBE's cross-cultural plausibility when applied to one particular but very extensive and prominent cultural context. The result shows that the concepts of respect for autonomy, non-maleficence, beneficence and justice are clearly identifiable in ACME. Yet, being influenced by certain socio-cultural factors, those applying the 4PBE in Chinese society may tend to adopt a "beneficence-oriented", rather than an "autonomy-oriented" approach, which, in general, is dissimilar to the practice of contemporary Western bioethics, where "autonomy often triumphs". PMID:10461594

Principles of Biomimetic Vascular Network Design Applied to a Tissue-Engineered Liver Scaffold

PubMed Central

Hoganson, David M.; Pryor, Howard I.; Spool, Ira D.; Burns, Owen H.; Gilmore, J. Randall

2010-01-01

Branched vascular networks are a central component of scaffold architecture for solid organ tissue engineering. In this work, seven biomimetic principles were established as the major guiding technical design considerations of a branched vascular network for a tissue-engineered scaffold. These biomimetic design principles were applied to a branched radial architecture to develop a liver-specific vascular network. Iterative design changes and computational fluid dynamic analysis were used to optimize the network before mold manufacturing. The vascular network mold was created using a new mold technique that achieves a 1:1 aspect ratio for all channels. In vitro blood flow testing confirmed the physiologic hemodynamics of the network as predicted by computational fluid dynamic analysis. These results indicate that this biomimetic liver vascular network design will provide a foundation for developing complex vascular networks for solid organ tissue engineering that achieve physiologic blood flow. PMID:20001254

Principles of biomimetic vascular network design applied to a tissue-engineered liver scaffold.

PubMed

Hoganson, David M; Pryor, Howard I; Spool, Ira D; Burns, Owen H; Gilmore, J Randall; Vacanti, Joseph P

2010-05-01

Branched vascular networks are a central component of scaffold architecture for solid organ tissue engineering. In this work, seven biomimetic principles were established as the major guiding technical design considerations of a branched vascular network for a tissue-engineered scaffold. These biomimetic design principles were applied to a branched radial architecture to develop a liver-specific vascular network. Iterative design changes and computational fluid dynamic analysis were used to optimize the network before mold manufacturing. The vascular network mold was created using a new mold technique that achieves a 1:1 aspect ratio for all channels. In vitro blood flow testing confirmed the physiologic hemodynamics of the network as predicted by computational fluid dynamic analysis. These results indicate that this biomimetic liver vascular network design will provide a foundation for developing complex vascular networks for solid organ tissue engineering that achieve physiologic blood flow.

Applying human factors principles to alert design increases efficiency and reduces prescribing errors in a scenario-based simulation

PubMed Central

Russ, Alissa L; Zillich, Alan J; Melton, Brittany L; Russell, Scott A; Chen, Siying; Spina, Jeffrey R; Weiner, Michael; Johnson, Elizabette G; Daggy, Joanne K; McManus, M Sue; Hawsey, Jason M; Puleo, Anthony G; Doebbeling, Bradley N; Saleem, Jason J

2014-01-01

Objective To apply human factors engineering principles to improve alert interface design. We hypothesized that incorporating human factors principles into alerts would improve usability, reduce workload for prescribers, and reduce prescribing errors. Materials and methods We performed a scenario-based simulation study using a counterbalanced, crossover design with 20 Veterans Affairs prescribers to compare original versus redesigned alerts. We redesigned drug–allergy, drug–drug interaction, and drug–disease alerts based upon human factors principles. We assessed usability (learnability of redesign, efficiency, satisfaction, and usability errors), perceived workload, and prescribing errors. Results Although prescribers received no training on the design changes, prescribers were able to resolve redesigned alerts more efficiently (median (IQR): 56 (47) s) compared to the original alerts (85 (71) s; p=0.015). In addition, prescribers rated redesigned alerts significantly higher than original alerts across several dimensions of satisfaction. Redesigned alerts led to a modest but significant reduction in workload (p=0.042) and significantly reduced the number of prescribing errors per prescriber (median (range): 2 (1–5) compared to original alerts: 4 (1–7); p=0.024). Discussion Aspects of the redesigned alerts that likely contributed to better prescribing include design modifications that reduced usability-related errors, providing clinical data closer to the point of decision, and displaying alert text in a tabular format. Displaying alert text in a tabular format may help prescribers extract information quickly and thereby increase responsiveness to alerts. Conclusions This simulation study provides evidence that applying human factors design principles to medication alerts can improve usability and prescribing outcomes. PMID:24668841

Applying human factors principles to alert design increases efficiency and reduces prescribing errors in a scenario-based simulation.

PubMed

Russ, Alissa L; Zillich, Alan J; Melton, Brittany L; Russell, Scott A; Chen, Siying; Spina, Jeffrey R; Weiner, Michael; Johnson, Elizabette G; Daggy, Joanne K; McManus, M Sue; Hawsey, Jason M; Puleo, Anthony G; Doebbeling, Bradley N; Saleem, Jason J

2014-10-01

To apply human factors engineering principles to improve alert interface design. We hypothesized that incorporating human factors principles into alerts would improve usability, reduce workload for prescribers, and reduce prescribing errors. We performed a scenario-based simulation study using a counterbalanced, crossover design with 20 Veterans Affairs prescribers to compare original versus redesigned alerts. We redesigned drug-allergy, drug-drug interaction, and drug-disease alerts based upon human factors principles. We assessed usability (learnability of redesign, efficiency, satisfaction, and usability errors), perceived workload, and prescribing errors. Although prescribers received no training on the design changes, prescribers were able to resolve redesigned alerts more efficiently (median (IQR): 56 (47) s) compared to the original alerts (85 (71) s; p=0.015). In addition, prescribers rated redesigned alerts significantly higher than original alerts across several dimensions of satisfaction. Redesigned alerts led to a modest but significant reduction in workload (p=0.042) and significantly reduced the number of prescribing errors per prescriber (median (range): 2 (1-5) compared to original alerts: 4 (1-7); p=0.024). Aspects of the redesigned alerts that likely contributed to better prescribing include design modifications that reduced usability-related errors, providing clinical data closer to the point of decision, and displaying alert text in a tabular format. Displaying alert text in a tabular format may help prescribers extract information quickly and thereby increase responsiveness to alerts. This simulation study provides evidence that applying human factors design principles to medication alerts can improve usability and prescribing outcomes. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://group.bmj.com/group/rights-licensing/permissions.

The similia principle: results obtained in a cellular model system.

PubMed

Wiegant, Fred; Van Wijk, Roeland

2010-01-01

This paper describes the results of a research program focused on the beneficial effect of low dose stress conditions that were applied according to the similia principle to cells previously disturbed by more severe stress conditions. In first instance, we discuss criteria for research on the similia principle at the cellular level. Then, the homologous ('isopathic') approach is reviewed, in which the initial (high dose) stress used to disturb cellular physiology and the subsequent (low dose) stress are identical. Beneficial effects of low dose stress are described in terms of increased cellular survival capacity and at the molecular level as an increase in the synthesis of heat shock proteins (hsps). Both phenomena reflect a stimulation of the endogenous cellular self-recovery capacity. Low dose stress conditions applied in a homologous approach stimulate the synthesis of hsps and enhance survival in comparison with stressed cells that were incubated in the absence of low dose stress conditions. Thirdly, the specificity of the low dose stress condition is described where the initial (high dose) stress is different in nature from the subsequently applied (low dose) stress; the heterologous or 'heteropathic' approach. The results support the similia principle at the cellular level and add to understanding of how low dose stress conditions influence the regulatory processes underlying self-recovery. In addition, the phenomenon of 'symptom aggravation' which is also observed at the cellular level, is discussed in the context of self-recovery. Finally, the difference in efficiency between the homologous and the heterologous approach is discussed; a perspective is indicated for further research; and the relationship between studies on the similia principle and the recently introduced concept of 'postconditioning hormesis' is emphasized. Copyright 2009 The Faculty of Homeopathy. Published by Elsevier Ltd. All rights reserved.

Factors relating to the perceived management of emergency situations: a survey of former Advanced Life Support course participants' clinical experiences.

PubMed

Rasmussen, Maria B; Tolsgaard, Martin G; Dieckmann, Peter; Issenberg, S Barry; Ostergaard, Doris; Søreide, Eldar; Rosenberg, Jens; Ringsted, Charlotte V

2014-12-01

This study explored individual, team, and setting factors associated with the quality of management of in-hospital emergency situations experienced by former Advanced Life Support (ALS) course participants. This study was a survey of former ALS course participants' long-term experience of management of in-hospital, emergency situations. The survey was carried out in 2012 in Denmark and Norway. A questionnaire was send to 526 potential responders and (281/479 × 100) 58.7% responded. The results demonstrated that 75% of the emergency situations were perceived as "managed well". In general, the responders' confidence in being ALS providers was high, mean 4.3 (SD 0.8), scale 1-5. Significant differences between the perceived "well" and "not well" managed situations were found for all questions, p<0.001. The largest differences related to perception of co-workers' ability to apply ALS principles, the team atmosphere and communication. Responders' ratings of quality of management of emergency situations increased with intensity of setting. However, the 'clinical setting' was rated significantly lower as attributor to ability to apply ALS principles compared to 'co-workers familiarity with ALS principles', 'own confidence as ALS-provider' and 'own social/inter-personal skills'. The results of this survey emphasise that ALS providers' perceived ability to apply ALS skills were substantially affected by teamwork skills and co-workers' skills. Team related factors associated with successful outcome were related to clear role distribution, clear inter-personal communication and attentive listening, as well as respectful behaviour and positive team atmosphere. Although intensity of setting was attributed to ability to apply ALS principles, this did not affect management of emergency situations to the same extent as individual and team factors. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

Is Principled Pragmatism a Viable Framework for Addressing Complex Problems?

NASA Astrophysics Data System (ADS)

Islam, S.

2017-12-01

Complex water problems are connected with many competing and often conflicting values, interests, and tools. These problems can't be addressed through simply applying dogmatic principles or a deal-making pragmatic approach. Because these problems are interconnected and interdependent, a final solution can't be pre-specified. Any intervention to a complex problem requires attention to both principles and pragmatism. Strict adherence to principles without pragmatism is often not actionable; pure pragmatism exercised without guiding principles is not sustainable. In a colloquial sense, pragmatism is often taken to suggest practical, opportunistic, and expedient approaches at the expense of principles. This perception appears to be rooted in the dichotomy between "being pragmatic" and "being ideological". The notion of principled pragmatism attempts to get away from this duality by focusing on how to make ideas clear and actionable. In other words, how to connect our thoughts to action given the context, constraints, and capacity. Principled pragmatism - rooted in equity and sustainability as guiding principles for water management - approach attempts to synthesize symbolic aspirations with realistic assessment to chart a trajectory of actionable subset of implementable solutions. Case studies from the Ganges Basin will show the utility of principled pragmatism for water management in a changing world.

The "fashion-form" of modern society and its relationship to psychology.

PubMed

Fuentes, Juan Bautista; Quiroga, Ernesto

2009-05-01

In this work, we present a new way of understanding psychology, which emerges as a result of relating it to the three principles of the theory of fashion of Gilles Lipovetsky: "the principle of the ephemeral," "the principle of the marginal differentiation of individuals," and "the principle of seduction." We relate the first principle to the plurality of the diverse and changing "schools and systems" that have existed throughout the history of psychology. We apply the second to the figure of the psychologist, considered individually, revealing his or her leading role in the generation of the changing plurality of the systems. By means of the third principle, we point up that the diverse psychologies are forms of seduction. We conclude by stating that psychology has the form of fashion and we analyze how this form can help us to better understand it.

Interconversion of Anthozoa GFP-like fluorescent and non-fluorescent proteins by mutagenesis

PubMed Central

Bulina, Maria E; Chudakov, Dmitry M; Mudrik, Nikolay N; Lukyanov, Konstantin A

2002-01-01

Background Within the family of green fluorescent protein (GFP) homologs, one can mark two main groups, specifically, fluorescent proteins (FPs) and non-fluorescent or chromoproteins (CPs). Structural background of differences between FPs and CPs are poorly understood to date. Results Here, we applied site-directed and random mutagenesis in order to to transform CP into FP and vice versa. A purple chromoprotein asCP (asFP595) from Anemonia sulcata and a red fluorescent protein DsRed from Discosoma sp. were selected as representatives of CPs and FPs, respectively. For asCP, some substitutions at positions 148 and 165 (numbering in accordance to GFP) were found to dramatically increase quantum yield of red fluorescence. For DsRed, substitutions at positions 148, 165, 167, and 203 significantly decreased fluorescence intensity, so that the spectral characteristics of these mutants became more close to those of CPs. Finally, a practically non-fluorescent mutant DsRed-NF was generated. This mutant carried four amino acid substitutions, specifically, S148C, I165N, K167M, and S203A. DsRed-NF possessed a high extinction coefficient and an extremely low quantum yield (< 0.001). These spectral characteristics allow one to regard DsRed-NF as a true chromoprotein. Conclusions We located a novel point in asCP sequence (position 165) mutations at which can result in red fluorescence appearance. Probably, this finding could be applied onto other CPs to generate red and far-red fluorescent mutants. A possibility to transform an FP into CP was demonstrated. Key role of residues adjacent to chromophore's phenolic ring in fluorescent/non-fluorescent states determination was revealed. PMID:11972899

Comparison of two different physical activity monitors.

PubMed

Paul, David R; Kramer, Matthew; Moshfegh, Alanna J; Baer, David J; Rumpler, William V

2007-06-25

Understanding the relationships between physical activity (PA) and disease has become a major area of research interest. Activity monitors, devices that quantify free-living PA for prolonged periods of time (days or weeks), are increasingly being used to estimate PA. A range of different activity monitors brands are available for investigators to use, but little is known about how they respond to different levels of PA in the field, nor if data conversion between brands is possible. 56 women and men were fitted with two different activity monitors, the Actigraph (Actigraph LLC; AGR) and the Actical (Mini-Mitter Co.; MM) for 15 days. Both activity monitors were fixed to an elasticized belt worn over the hip, with the anterior and posterior position of the activity monitors randomized. Differences between activity monitors and the validity of brand inter-conversion were measured by t-tests, Pearson correlations, Bland-Altman plots, and coefficients of variation (CV). The AGR detected a significantly greater amount of daily PA (216.2 +/- 106.2 vs. 188.0 +/- 101.1 counts/min, P < 0.0001). The average difference between activity monitors expressed as a CV were 3.1 and 15.5% for log-transformed and raw data, respectively. When a conversion equation was applied to convert datasets from one brand to another, the differences were no longer significant, with CV's of 2.2 and 11.7%, log-transformed and raw data, respectively. Although activity monitors predict PA on the same scale (counts/min), the results between these two brands are not directly comparable. However, the data are comparable if a conversion equation is applied, with better results for log-transformed data.

Showcasing Chemical Engineering Principles through the Production of Biodiesel from Spent Coffee Grounds

ERIC Educational Resources Information Center

Bendall, Sophie; Birdsall-Wilson, Max; Jenkins, Rhodri; Chew, Y. M. John; Chuck, Christopher J.

2015-01-01

Chemical engineering is rarely encountered before higher-level education in the U.S. or in Europe, leaving prospective students unaware of what an applied chemistry or chemical engineering degree entails. In this lab experiment, we report the implementation of a three-day course to showcase chemical engineering principles for 16-17 year olds…

Total Quality Education: Profiles of Schools That Demonstrate the Power of Deming's Management Principles.

ERIC Educational Resources Information Center

Schmoker, Michael J.; Wilson, Richard B.

This book presents profiles of schools that have demonstrated the power of Deming's Total Quality Management (TQM) principles. It describes schools that have successfully applied those strategies for change. The book explores what public education needs most--a compelling but flexible action plan for improvement. Chapter 1 offers a rationale for…

Creating Learning Organizations: The Deming Management Method Applied to Instruction (Quality Teaching & Quality Learning). A Paradigm Application.

ERIC Educational Resources Information Center

Loehr, Peter

This paper presents W. Edwards Deming's 14 management points, 7 deadly diseases, and 4 obstacles that thwart productivity, and discusses how these principles relate to teaching and learning. Application of these principles is expected to increase the quality of learning in classrooms from kindergarten through graduate level. Examples of the…

Applying Learner-Centered Principles and Strategies: From Face to Face Instruction to a Hybrid Course Learning Format

ERIC Educational Resources Information Center

McDonough, Darlene

2012-01-01

This paper discusses the transition from traditional face to face instruction to a hybrid format using the newly drafted 8 Standards of the Educational Leadership Constituents Council (2010) as guidelines for the curriculum, the 14 Learner Centered Principles (1997) from the American Psychological Association as elements for instructional…

Pilot Study: Impact of Computer Simulation on Students' Economic Policy Performance. Pilot Study.

ERIC Educational Resources Information Center

Domazlicky, Bruce; France, Judith

Fiscal and monetary policies taught in macroeconomic principles courses are concepts that might require both lecture and simulation methods. The simulation models, which apply the principles gleened from comparative statistics to a dynamic world, may give students an appreciation for the problems facing policy makers. This paper is a report of a…

New classes of Lorenz curves by maximizing Tsallis entropy under mean and Gini equality and inequality constraints

NASA Astrophysics Data System (ADS)

Preda, Vasile; Dedu, Silvia; Gheorghe, Carmen

2015-10-01

In this paper, by using the entropy maximization principle with Tsallis entropy, new distribution families for modeling the income distribution are derived. Also, new classes of Lorenz curves are obtained by applying the entropy maximization principle with Tsallis entropy, under mean and Gini index equality and inequality constraints.

Formulating "Principles of Procedure" for the Foreign Language Classroom: A Framework for Process Model Language Curricula

ERIC Educational Resources Information Center

Villacañas de Castro, Luis S.

2016-01-01

This article aims to apply Stenhouse's process model of curriculum to foreign language (FL) education, a model which is characterized by enacting "principles of procedure" which are specific to the discipline which the school subject belongs to. Rather than to replace or dissolve current approaches to FL teaching and curriculum…

2 CFR Appendix B to Part 225 - Selected Items of Cost

Code of Federal Regulations, 2010 CFR

2010-01-01

... PRINCIPLES FOR STATE, LOCAL, AND INDIAN TRIBAL GOVERNMENTS (OMB CIRCULAR A-87) Pt. 225, App. B Appendix B to.... Royalties and other costs for the use of patents 39. Selling and marketing 40. Taxes 41. Termination costs... principles to be applied in establishing the allowability or unallowability of certain items of cost. These...